Porosity variations in and around normal fault zones: implications for fault seal and geomechanics

NASA Astrophysics Data System (ADS)

Healy, David; Neilson, Joyce; Farrell, Natalie; Timms, Nick; Wilson, Moyra

2015-04-01

Porosity forms the building blocks for permeability, exerts a significant influence on the acoustic response of rocks to elastic waves, and fundamentally influences rock strength. And yet, published studies of porosity around fault zones or in faulted rock are relatively rare, and are hugely dominated by those of fault zone permeability. We present new data from detailed studies of porosity variations around normal faults in sandstone and limestone. We have developed an integrated approach to porosity characterisation in faulted rock exploiting different techniques to understand variations in the data. From systematic samples taken across exposed normal faults in limestone (Malta) and sandstone (Scotland), we combine digital image analysis on thin sections (optical and electron microscopy), core plug analysis (He porosimetry) and mercury injection capillary pressures (MICP). Our sampling includes representative material from undeformed protoliths and fault rocks from the footwall and hanging wall. Fault-related porosity can produce anisotropic permeability with a 'fast' direction parallel to the slip vector in a sandstone-hosted normal fault. Undeformed sandstones in the same unit exhibit maximum permeability in a sub-horizontal direction parallel to lamination in dune-bedded sandstones. Fault-related deformation produces anisotropic pores and pore networks with long axes aligned sub-vertically and this controls the permeability anisotropy, even under confining pressures up to 100 MPa. Fault-related porosity also has interesting consequences for the elastic properties and velocity structure of normal fault zones. Relationships between texture, pore type and acoustic velocity have been well documented in undeformed limestone. We have extended this work to include the effects of faulting on carbonate textures, pore types and P- and S-wave velocities (Vp, Vs) using a suite of normal fault zones in Malta, with displacements ranging from 0.5 to 90 m. Our results show a clear lithofacies control on the Vp-porosity and the Vs-Vp relationships for faulted limestones. Using porosity patterns quantified in naturally deformed rocks we have modelled their effect on the mechanical stability of fluid-saturated fault zones in the subsurface. Poroelasticity theory predicts that variations in fluid pressure could influence fault stability. Anisotropic patterns of porosity in and around fault zones can - depending on their orientation and intensity - lead to an increase in fault stability in response to a rise in fluid pressure, and a decrease in fault stability for a drop in fluid pressure. These predictions are the exact opposite of the accepted role of effective stress in fault stability. Our work has provided new data on the spatial and statistical variation of porosity in fault zones. Traditionally considered as an isotropic and scalar value, porosity and pore networks are better considered as anisotropic and as scale-dependent statistical distributions. The geological processes controlling the evolution of porosity are complex. Quantifying patterns of porosity variation is an essential first step in a wider quest to better understand deformation processes in and around normal fault zones. Understanding porosity patterns will help us to make more useful predictive tools for all agencies involved in the study and management of fluids in the subsurface.

Predicting the extent of metabolism using in vitro permeability rate measurements and in silico permeability rate predictions

PubMed Central

Hosey, Chelsea M; Benet, Leslie Z

2015-01-01

The Biopharmaceutics Drug Disposition Classification System (BDDCS) can be utilized to predict drug disposition, including interactions with other drugs and transporter or metabolizing enzyme effects based on the extent of metabolism and solubility of a drug. However, defining the extent of metabolism relies upon clinical data. Drugs exhibiting high passive intestinal permeability rates are extensively metabolized. Therefore, we aimed to determine if in vitro measures of permeability rate or in silico permeability rate predictions could predict the extent of metabolism, to determine a reference compound representing the permeability rate above which compounds would be expected to be extensively metabolized, and to predict the major route of elimination of compounds in a two-tier approach utilizing permeability rate and a previously published model predicting the major route of elimination of parent drug. Twenty-two in vitro permeability rate measurement data sets in Caco-2 and MDCK cell lines and PAMPA were collected from the literature, while in silico permeability rate predictions were calculated using ADMET Predictor™ or VolSurf+. The potential for permeability rate to differentiate between extensively and poorly metabolized compounds was analyzed with receiver operating characteristic curves. Compounds that yielded the highest sensitivity-specificity average were selected as permeability rate reference standards. The major route of elimination of poorly permeable drugs was predicted by our previously published model and the accuracies and predictive values were calculated. The areas under the receiver operating curves were >0.90 for in vitro measures of permeability rate and >0.80 for the VolSurf+ model of permeability rate, indicating they were able to predict the extent of metabolism of compounds. Labetalol and zidovudine predicted greater than 80% of extensively metabolized drugs correctly and greater than 80% of poorly metabolized drugs correctly in Caco-2 and MDCK, respectively, while theophylline predicted greater than 80% of extensively and poorly metabolized drugs correctly in PAMPA. A two-tier approach predicting elimination route predicts 72±9%, 49±10%, and 66±7% of extensively metabolized, biliarily eliminated, and renally eliminated parent drugs correctly when the permeability rate is predicted in silico and 74±7%, 85±2%, and 73±8% of extensively metabolized, biliarily eliminated, and renally eliminated parent drugs correctly, respectively when the permeability rate is determined in vitro. PMID:25816851

Permeation of protons, potassium ions, and small polar molecules through phospholipid bilayers as a function of membrane thickness.

PubMed Central

Paula, S; Volkov, A G; Van Hoek, A N; Haines, T H; Deamer, D W

1996-01-01

Two mechanisms have been proposed to account for solute permeation of lipid bilayers. Partitioning into the hydrophobic phase of the bilayer, followed by diffusion, is accepted by many for the permeation of water and other small neutral solutes, but transient pores have also been proposed to account for both water and ionic solute permeation. These two mechanisms make distinctively different predictions about the permeability coefficient as a function of bilayer thickness. Whereas the solubility-diffusion mechanism predicts only a modest variation related to bilayer thickness, the pore model predicts an exponential relationship. To test these models, we measured the permeability of phospholipid bilayers to protons, potassium ions, water, urea, and glycerol. Bilayers were prepared as liposomes, and thickness was varied systematically by using unsaturated lipids with chain lengths ranging from 14 to 24 carbon atoms. The permeability coefficient of water and neutral polar solutes displayed a modest dependence on bilayer thickness, with an approximately linear fivefold decrease as the carbon number varied from 14 to 24 atoms. In contrast, the permeability to protons and potassium ions decreased sharply by two orders of magnitude between 14 and 18 carbon atoms, and leveled off, when the chain length was further extended to 24 carbon atoms. The results for water and the neutral permeating solutes are best explained by the solubility-diffusion mechanism. The results for protons and potassium ions in shorter-chain lipids are consistent with the transient pore model, but better fit the theoretical line predicted by the solubility-diffusion model at longer chain lengths. PMID:8770210

Permeation of protons, potassium ions, and small polar molecules through phospholipid bilayers as a function of membrane thickness

NASA Technical Reports Server (NTRS)

Paula, S.; Volkov, A. G.; Van Hoek, A. N.; Haines, T. H.; Deamer, D. W.

1996-01-01

Two mechanisms have been proposed to account for solute permeation of lipid bilayers. Partitioning into the hydrophobic phase of the bilayer, followed by diffusion, is accepted by many for the permeation of water and other small neutral solutes, but transient pores have also been proposed to account for both water and ionic solute permeation. These two mechanisms make distinctively different predictions about the permeability coefficient as a function of bilayer thickness. Whereas the solubility-diffusion mechanism predicts only a modest variation related to bilayer thickness, the pore model predicts an exponential relationship. To test these models, we measured the permeability of phospholipid bilayers to protons, potassium ions, water, urea, and glycerol. Bilayers were prepared as liposomes, and thickness was varied systematically by using unsaturated lipids with chain lengths ranging from 14 to 24 carbon atoms. The permeability coefficient of water and neutral polar solutes displayed a modest dependence on bilayer thickness, with an approximately linear fivefold decrease as the carbon number varied from 14 to 24 atoms. In contrast, the permeability to protons and potassium ions decreased sharply by two orders of magnitude between 14 and 18 carbon atoms, and leveled off, when the chain length was further extended to 24 carbon atoms. The results for water and the neutral permeating solutes are best explained by the solubility-diffusion mechanism. The results for protons and potassium ions in shorter-chain lipids are consistent with the transient pore model, but better fit the theoretical line predicted by the solubility-diffusion model at longer chain lengths.

Changes in sapwood permeability and anatomy with tree age and height in the broad-leaved evergreen species Eucalyptus regnans.

PubMed

England, Jacqueline R; Attiwill, Peter M

2007-08-01

Increases in plant size and structural complexity with increasing age have important implications for water flow through trees. Water supply to the crown is influenced by both the cross-sectional area and the permeability of sapwood. It has been hypothesized that hydraulic conductivity within sapwood increases with age. We investigated changes in sapwood permeability (k) and anatomy with tree age and height in the broad-leaved evergreen species Eucalyptus regnans F. Muell. Sapwood was sampled at breast height from trees ranging from 8 to 240 years old, and at three height positions on the main stem of 8-year-old trees. Variation in k was not significant among sampling height positions in young trees. However, k at breast height increased with tree age. This was related to increases in both vessel frequency and vessel diameter, resulting in a greater proportion of sapwood being occupied by vessel lumina. Sapwood hydraulic conductivity (the product of k and sapwood area) also increased with increasing tree age. However, at the stand level, there was a decrease in forest sapwood hydraulic conductivity with increasing stand age, because of a decrease in the number of trees per hectare. Across all ages, there were significant relationships between k and anatomy, with individual anatomical characteristics explaining 33-62% of the variation in k. There was also strong agreement between measured k and permeability predicted by the Hagen-Poiseuille equation. The results support the hypothesis of an increase in sapwood permeability at breast height with age. Further measurements are required to confirm this result at other height positions in older trees. The significance of tree-level changes in sapwood permeability for stand-level water relations is discussed.

Effect of temperature on the permeability of gas adsorbed coal under triaxial stress conditions

NASA Astrophysics Data System (ADS)

Li, Xiangchen; Yan, Xiaopeng; Kang, Yili

2018-04-01

The combined effects of gas sorption, stress and temperature play a significant role in the changing behavior of gas permeability in coal seams. The effect of temperature on nitrogen and methane permeability of naturally fractured coal is investigated. Coal permeability, P-wave velocity and axial strain were simultaneously measured under two effective stresses and six different temperatures. The results showed that the behavior of nitrogen and methane permeability presented nonmonotonic changes with increasing temperature. The variation in the P-wave velocity and axial strain showed a good correspondence with coal permeability. A higher effective stress limited the bigger deformation and caused the small change in permeability. Methane adsorption and desorption significantly influence the mechanical properties of coal and play an important role in the variations in coal permeability. The result of coal permeability during a complete stress-strain process showed that the variation in permeability is determined by the evolution of the internal structure. The increase in the temperature of the gas saturated coal causes the complex interaction between matrix swelling, matrix shrinkage and micro-fracture generation, which leads to the complex changes in coal structure and permeability. These results are helpful to understand the gas transport mechanism for exploiting coal methane by heat injection.

Effects of periodic atmospheric pressure variation on radon entry into buildings

NASA Astrophysics Data System (ADS)

Tsang, Y. W.; Narasimhan, T. N.

1992-06-01

Using a mathematical model, we have investigated the temporal variations of radon entry into a house basement in the presence of time-dependent periodic variations of barometric pressure as well as a persistent small steady depressurization within the basement. The tool for our investigation is an integral finite difference numerical code which can solve for both diffusive and advective flux of radon in the soil gas which is treated as a slightly compressible fluid. Two different boundary conditions at the house basement are considered: (1) a dirt floor basement so that diffusion is equally or more important than advective transport, and (2) an "impermeable" cement basement except for a 1-cm-wide crack near the perimeter of the basement floor; in which case, advective transport of radon flux dominates. Two frequencies of barometric pressure fluctuation with representative values of amplitudes, based on a Fourier decomposition of barometric pressure data, were chosen in this study: one with a short period of 0.5 hour with pressure amplitude of 50 Pa, the other a diurnal variation with a period of 24 hours with the typical pressure amplitude of 250 Pa. For a homogeneous soil medium with soil permeability to air between 10-13 and 10-10 m2, we predict that the barometric fluctuations increase the radon entry into the basement by up to 120% of the steady radon inflow into the basement owing to a steady depressurization of 5 Pa. If soil permeability heterogeneity is present, such as the presence of a thin layer of higher permeability aggregate immediately below the basement floor, radon flux due to atmospheric pumping is further increased. Effects of pressure pumping on radon entry are also compared to diffusion-only transport when the steady depressurization is absent. It is found that contribution to radon entry is significant for the basement crack configuration. In particular, for pressure pumping at 0.5-hour period and for a homogeneous medium of permeability of 10-10 m2, the radon entry is a factor of 10 larger than that predicted by the diffusion-only transport. This may help to explain indoor radon concentrations during times of low steady state driving force. Extending beyond radon transport, the results of this case study establish the importance of transient advective transport resulting from atmospheric pressure variation. These results may have relevance in the estimations of the transfer of trace gases such as methane and nitrous oxide across the soil-atmosphere interface and their impact on global climate changes.

Theoretical and experimental evaluation of effective stress-induced sorption capacity change and its influence on coal permeability

NASA Astrophysics Data System (ADS)

Li, Chengwu; Dong, Lihui; Xu, Xiaomeng; Hu, Po; Tian, Jianwei; Zhang, Yihuai; Yang, Leilei

2017-06-01

The gas sorption effect is an important factor affecting the gas permeability of a coal seam, which has been proved in many previous experimental measurements and analytical permeability studies. However, the sorption capacity of coal is usually not static due to the complexity of external stress variation and internal gas media features. The stress-induced sorption capacity variation and its effect on the coal permeability change have not been fully identified yet. Thus, in this paper we present a preliminary evaluation of the stress-induced sorption capacity change by introducing the adsorption capacity modified term, and an experiment is carried out to verify the influence of the altered effective stress on coal permeability. Langmuir-like adsorption deformation constant parameters were combined into the modified coal permeability model and were given values to fully estimate the influence on permeability caused by the modification term. We found that different change modes of effective stress would yield different change effects on the permeability, that is, with the same effective stress change amount, the altered external stress-induced change had less influence than the altered-pore pressure-induced change; however, both modes demonstrated that the model taking sorption capacity change into consideration is more consistent with the experimental data. The effect of sorption capacity change on coal permeability variation was also found to be tightly connected with the physical and mechanical properties of the coal itself. It is proved that considering stress-induced sorption ability change has a critical role in characterizing the permeability variation of coal.

Development and validation of a low-frequency modeling code for high-moment transmitter rod antennas

NASA Astrophysics Data System (ADS)

Jordan, Jared Williams; Sternberg, Ben K.; Dvorak, Steven L.

2009-12-01

The goal of this research is to develop and validate a low-frequency modeling code for high-moment transmitter rod antennas to aid in the design of future low-frequency TX antennas with high magnetic moments. To accomplish this goal, a quasi-static modeling algorithm was developed to simulate finite-length, permeable-core, rod antennas. This quasi-static analysis is applicable for low frequencies where eddy currents are negligible, and it can handle solid or hollow cores with winding insulation thickness between the antenna's windings and its core. The theory was programmed in Matlab, and the modeling code has the ability to predict the TX antenna's gain, maximum magnetic moment, saturation current, series inductance, and core series loss resistance, provided the user enters the corresponding complex permeability for the desired core magnetic flux density. In order to utilize the linear modeling code to model the effects of nonlinear core materials, it is necessary to use the correct complex permeability for a specific core magnetic flux density. In order to test the modeling code, we demonstrated that it can accurately predict changes in the electrical parameters associated with variations in the rod length and the core thickness for antennas made out of low carbon steel wire. These tests demonstrate that the modeling code was successful in predicting the changes in the rod antenna characteristics under high-current nonlinear conditions due to changes in the physical dimensions of the rod provided that the flux density in the core was held constant in order to keep the complex permeability from changing.

Integrated petrophysical and reservoir characterization workflow to enhance permeability and water saturation prediction

NASA Astrophysics Data System (ADS)

Al-Amri, Meshal; Mahmoud, Mohamed; Elkatatny, Salaheldin; Al-Yousef, Hasan; Al-Ghamdi, Tariq

2017-07-01

Accurate estimation of permeability is essential in reservoir characterization and in determining fluid flow in porous media which greatly assists optimize the production of a field. Some of the permeability prediction techniques such as Porosity-Permeability transforms and recently artificial intelligence and neural networks are encouraging but still show moderate to good match to core data. This could be due to limitation to homogenous media while the knowledge about geology and heterogeneity is indirectly related or absent. The use of geological information from core description as in Lithofacies which includes digenetic information show a link to permeability when categorized into rock types exposed to similar depositional environment. The objective of this paper is to develop a robust combined workflow integrating geology and petrophysics and wireline logs in an extremely heterogeneous carbonate reservoir to accurately predict permeability. Permeability prediction is carried out using pattern recognition algorithm called multi-resolution graph-based clustering (MRGC). We will bench mark the prediction results with hard data from core and well test analysis. As a result, we showed how much better improvements are achieved in the permeability prediction when geology is integrated within the analysis. Finally, we use the predicted permeability as an input parameter in J-function and correct for uncertainties in saturation calculation produced by wireline logs using the classical Archie equation. Eventually, high level of confidence in hydrocarbon volumes estimation is reached when robust permeability and saturation height functions are estimated in presence of important geological details that are petrophysically meaningful.

Distinguishing between the Permeability Relationships with Absorption and Metabolism To Improve BCS and BDDCS Predictions in Early Drug Discovery

PubMed Central

2015-01-01

The biopharmaceutics classification system (BCS) and biopharmaceutics drug distribution classification system (BDDCS) are complementary classification systems that can improve, simplify, and accelerate drug discovery, development, and regulatory processes. Drug permeability has been widely accepted as a screening tool for determining intestinal absorption via the BCS during the drug development and regulatory approval processes. Currently, predicting clinically significant drug interactions during drug development is a known challenge for industry and regulatory agencies. The BDDCS, a modification of BCS that utilizes drug metabolism instead of intestinal permeability, predicts drug disposition and potential drug–drug interactions in the intestine, the liver, and most recently the brain. Although correlations between BCS and BDDCS have been observed with drug permeability rates, discrepancies have been noted in drug classifications between the two systems utilizing different permeability models, which are accepted as surrogate models for demonstrating human intestinal permeability by the FDA. Here, we recommend the most applicable permeability models for improving the prediction of BCS and BDDCS classifications. We demonstrate that the passive transcellular permeability rate, characterized by means of permeability models that are deficient in transporter expression and paracellular junctions (e.g., PAMPA and Caco-2), will most accurately predict BDDCS metabolism. These systems will inaccurately predict BCS classifications for drugs that particularly are substrates of highly expressed intestinal transporters. Moreover, in this latter case, a system more representative of complete human intestinal permeability is needed to accurately predict BCS absorption. PMID:24628254

Distinguishing between the permeability relationships with absorption and metabolism to improve BCS and BDDCS predictions in early drug discovery.

PubMed

Larregieu, Caroline A; Benet, Leslie Z

2014-04-07

The biopharmaceutics classification system (BCS) and biopharmaceutics drug distribution classification system (BDDCS) are complementary classification systems that can improve, simplify, and accelerate drug discovery, development, and regulatory processes. Drug permeability has been widely accepted as a screening tool for determining intestinal absorption via the BCS during the drug development and regulatory approval processes. Currently, predicting clinically significant drug interactions during drug development is a known challenge for industry and regulatory agencies. The BDDCS, a modification of BCS that utilizes drug metabolism instead of intestinal permeability, predicts drug disposition and potential drug-drug interactions in the intestine, the liver, and most recently the brain. Although correlations between BCS and BDDCS have been observed with drug permeability rates, discrepancies have been noted in drug classifications between the two systems utilizing different permeability models, which are accepted as surrogate models for demonstrating human intestinal permeability by the FDA. Here, we recommend the most applicable permeability models for improving the prediction of BCS and BDDCS classifications. We demonstrate that the passive transcellular permeability rate, characterized by means of permeability models that are deficient in transporter expression and paracellular junctions (e.g., PAMPA and Caco-2), will most accurately predict BDDCS metabolism. These systems will inaccurately predict BCS classifications for drugs that particularly are substrates of highly expressed intestinal transporters. Moreover, in this latter case, a system more representative of complete human intestinal permeability is needed to accurately predict BCS absorption.

The permeability of fault zones in the upper continental crust: statistical analysis from 460 datasets, updated depth-trends, and permeability contrasts between fault damage zones and protoliths.

NASA Astrophysics Data System (ADS)

Scibek, J.; Gleeson, T. P.; Ingebritsen, S.; McKenzie, J. M.

2017-12-01

Fault zones are an important part of the hydraulic structure of the Earth's crust and influence a wide range of Earth processes and a large amount of test data has been collected over the years. We conducted a meta-analysis of global of fault zone permeabilities in the upper brittle continental crust, using about 10,000 published research items from a variety of geoscience and engineering disciplines. Using 460 datasets at 340 localities, the in-situ bulk permeabilities (>10's meters scale, including macro-fractures) and matrix permeabilities (drilled core samples or outcrop spot tests) are separated, analyzed, and compared. The values have log-normal distributions and we analyze the log-permeability values. In the fault damage zones of plutonic and metamorphic rocks the mean bulk permeability was 1x10-14m2, compared to matrix mean of 1x10-16m2. In sedimentary siliciclastic rocks the mean value was the same for bulk and matrix permeability (4x10-14m2). More useful insights were determined from the regression analysis of paired permeability data at all sites (fault damage zone vs. protolith). Much of the variation in fault permeability is explained by the permeability of protolith: in relatively weak volcaniclastic and clay-rich rocks up to 70 to 88% of the variation is explained, and only 20-30% in plutonic and metamorphic rocks. We propose a revision at shallow depths for previously published upper-bound curves for the "fault-damaged crust " and the geothermal-metamorphic rock assemblage outside of major fault zones. Although the bounding curves describe the "fault-damaged crust" permeability parameter space adequately, the only statistically significant permeability-depth trend is for plutonic and metamorphic rocks (50% of variation explained). We find a depth-dependent systematic variation of the permeability ratio (fault damage zone / protolith) from the in-situ bulk permeability global data. A moving average of the log-permeability ratio value is 2 to 2.5 (global mean is 2.2). Although the data is unevenly distributed with depth, the present evidence is that the permeability ratio is at a maximum at depths 1 to 2 kilometers, decreases with depth below 2km, and is also lower near the ground surface.

Oil permeability variations on lagoon sand beaches in the Patos-Guaíba system in Rio Grande do Sul, Brazil.

PubMed

Oliveira, Elaine Baroni; Nicolodi, João Luiz

2017-02-15

Permeability is the ability of a sediment deposit to allow fluids to pass through it. It depends on the local types of sediments. When the fluid is oil, high permeability implies greater interaction with the site and more extensive damage, which makes recovery most difficult. Knowledge of permeability oscillations is necessary to understand oil behavior and improve cleanup techniques. The goal is to determine oil permeability variations on lagoon sand beaches. Oil permeability tests were performed at the beach face, using a Modified Phillip Dunne Permeameter and parameters were sampled. Permeability of lagoon beaches is driven by grain diameter and roundness, soil compaction, and depth of the water table. Factors that enhance permeability include: sand sorting, vertical distribution of sediments and gravel percentage. High permeability on lagoon beaches is related to polymodal distribution, to the sediment package, and to the system's low mobility. Copyright © 2016 Elsevier Ltd. All rights reserved.

Predicting mineral precipitation in fractures: The influence of local heterogeneity on the feedback between precipitation and permeability

NASA Astrophysics Data System (ADS)

Jones, T.; Detwiler, R. L.

2016-12-01

Long-term subsurface energy production and contaminant storage strategies often rely on induced-mineralization to control the transport of dissolved ions. In low-permeability rocks, precipitation is most likely to occur in fractures that act as leakage pathways for fluids that are in chemical disequilibrium with the formation minerals. These fractures are commonly idealized as parallel-plate channels with uniform surface mineralogy, and as a result, our predictions often suggest that precipitation leads to fast permeability reduction. However, natural fractures contain both heterogeneous mineralogy and three-dimensional surface roughness, and our understanding of how precipitation affects local permeability in these environments is limited. To examine the impacts of local heterogeneity on the feedback between mineral precipitation and permeability, we performed two long-term experiments in transparent analog fractures: (i) uniform-aperture and (ii) variable-aperture. We controlled the initial heterogeneous surface mineralogy in both experiments by seeding the bottom borosilicate fracture surfaces with randomly distributed clusters of CaCO3 crystals. Continuous flow ISCO pumps injected a well-mixed CaCl2-NaHCO3 solution, log(ΩCaCO3) = 1.44, into the fracture at 0.5 ml/min and transmitted-light techniques provided high-resolution (83 x 83 µm), direct measurements of aperture and fluid transport across the fracture. In experiment (i), precipitation decreased local aperture at discrete CaCO3 reaction sites near the fracture inlet, but transport variations across the fracture remained relatively small due to the initial lack of aperture heterogeneity. In contrast, the feedback between precipitation and aperture in experiment (ii) focused flow into large-aperture, preferential flow paths that contained significantly less CaCO3 area than the fracture scale average. Precipitation-induced aperture reduction in (ii) reduced dissolved ion transport into small-aperture regions of the fracture that were abundant with CaCO3 and led to a 72% decrease in measured precipitation rate. These results suggest that incorporating the effects of local heterogeneity may dramatically improve our ability to predict precipitation-induced permeability alterations in fractured rocks.

Preliminary study of soil permeability properties using principal component analysis

NASA Astrophysics Data System (ADS)

Yulianti, M.; Sudriani, Y.; Rustini, H. A.

2018-02-01

Soil permeability measurement is undoubtedly important in carrying out soil-water research such as rainfall-runoff modelling, irrigation water distribution systems, etc. It is also known that acquiring reliable soil permeability data is rather laborious, time-consuming, and costly. Therefore, it is desirable to develop the prediction model. Several studies of empirical equations for predicting permeability have been undertaken by many researchers. These studies derived the models from areas which soil characteristics are different from Indonesian soil, which suggest a possibility that these permeability models are site-specific. The purpose of this study is to identify which soil parameters correspond strongly to soil permeability and propose a preliminary model for permeability prediction. Principal component analysis (PCA) was applied to 16 parameters analysed from 37 sites consist of 91 samples obtained from Batanghari Watershed. Findings indicated five variables that have strong correlation with soil permeability, and we recommend a preliminary permeability model, which is potential for further development.

Optical investigation of effective permeability of dilute magnetic dielectrics with magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Banerjee, Ananya, E-mail: banerjee.ananya2008@gmail.com; Sarkar, A.

The prime objective of this paper is to investigate the magnetic nature of dilute magnetic dielectrics (DMD) under variation of external magnetic field. The said variation is studied over developed nano-sized Gadolinium Oxide as a DMD system. The observed experimental field variation of the effective magnetic permeability is analyzed results of optical experiment. The experiment records the variation of Brewster angle of incident polarized LASER beam from the surface of developed DMD specimen with applied out of plane external magnetic field. The effective refractive index and hence relative magnetic permeability were estimated following electro-magnetic theory. The overall results obtained andmore » agreement between theory and experiment are good.« less

Prediction of relative and absolute permeabilities for gas and water from soil water retention curves using a pore-scale network model

NASA Astrophysics Data System (ADS)

Fischer, Ulrich; Celia, Michael A.

1999-04-01

Functional relationships for unsaturated flow in soils, including those between capillary pressure, saturation, and relative permeabilities, are often described using analytical models based on the bundle-of-tubes concept. These models are often limited by, for example, inherent difficulties in prediction of absolute permeabilities, and in incorporation of a discontinuous nonwetting phase. To overcome these difficulties, an alternative approach may be formulated using pore-scale network models. In this approach, the pore space of the network model is adjusted to match retention data, and absolute and relative permeabilities are then calculated. A new approach that allows more general assignments of pore sizes within the network model provides for greater flexibility to match measured data. This additional flexibility is especially important for simultaneous modeling of main imbibition and drainage branches. Through comparisons between the network model results, analytical model results, and measured data for a variety of both undisturbed and repacked soils, the network model is seen to match capillary pressure-saturation data nearly as well as the analytical model, to predict water phase relative permeabilities equally well, and to predict gas phase relative permeabilities significantly better than the analytical model. The network model also provides very good estimates for intrinsic permeability and thus for absolute permeabilities. Both the network model and the analytical model lost accuracy in predicting relative water permeabilities for soils characterized by a van Genuchten exponent n≲3. Overall, the computational results indicate that reliable predictions of both relative and absolute permeabilities are obtained with the network model when the model matches the capillary pressure-saturation data well. The results also indicate that measured imbibition data are crucial to good predictions of the complete hysteresis loop.

Predicting A Drug'S Membrane Permeability: Evolution of a Computational Model Validated with in Vitro Permeability Assay Data

DOE PAGES

Carpenter, Timothy S.; McNerney, M. Windy; Be, Nicholas A.; ...

2016-02-16

Membrane permeability is a key property to consider in drug design, especially when the drugs in question need to cross the blood-brain barrier (BBB). A comprehensive in vivo assessment of the BBB permeability of a drug takes considerable time and financial resources. A current, simplified in vitro model to investigate drug permeability is a Parallel Artificial Membrane Permeability Assay (PAMPA) that generally provides higher throughput and initial quantification of a drug's passive permeability. Computational methods can also be used to predict drug permeability. Our methods are highly advantageous as they do not require the synthesis of the desired drug, andmore » can be implemented rapidly using high-performance computing. In this study, we have used umbrella sampling Molecular Dynamics (MD) methods to assess the passive permeability of a range of compounds through a lipid bilayer. Furthermore, the permeability of these compounds was comprehensively quantified using the PAMPA assay to calibrate and validate the MD methodology. And after demonstrating a firm correlation between the two approaches, we then implemented our MD method to quantitatively predict the most permeable potential drug from a series of potential scaffolds. This permeability was then confirmed by the in vitro PAMPA methodology. Therefore, in this work we have illustrated the potential that these computational methods hold as useful tools to help predict a drug's permeability in a faster and more cost-effective manner. Release number: LLNL-ABS-677757.« less

Predicting A Drug'S Membrane Permeability: Evolution of a Computational Model Validated with in Vitro Permeability Assay Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carpenter, Timothy S.; McNerney, M. Windy; Be, Nicholas A.

Membrane permeability is a key property to consider in drug design, especially when the drugs in question need to cross the blood-brain barrier (BBB). A comprehensive in vivo assessment of the BBB permeability of a drug takes considerable time and financial resources. A current, simplified in vitro model to investigate drug permeability is a Parallel Artificial Membrane Permeability Assay (PAMPA) that generally provides higher throughput and initial quantification of a drug's passive permeability. Computational methods can also be used to predict drug permeability. Our methods are highly advantageous as they do not require the synthesis of the desired drug, andmore » can be implemented rapidly using high-performance computing. In this study, we have used umbrella sampling Molecular Dynamics (MD) methods to assess the passive permeability of a range of compounds through a lipid bilayer. Furthermore, the permeability of these compounds was comprehensively quantified using the PAMPA assay to calibrate and validate the MD methodology. And after demonstrating a firm correlation between the two approaches, we then implemented our MD method to quantitatively predict the most permeable potential drug from a series of potential scaffolds. This permeability was then confirmed by the in vitro PAMPA methodology. Therefore, in this work we have illustrated the potential that these computational methods hold as useful tools to help predict a drug's permeability in a faster and more cost-effective manner. Release number: LLNL-ABS-677757.« less

Variation of brine compositions resulting from flow from matrix or fracture permeability, investigated by high pressure laboratory experiments

NASA Astrophysics Data System (ADS)

Poszwa, A. C.; Coleman, M. L.; Pouya, A.; Ader, M.; Bounenni, A.

2003-04-01

Planning oil production from a chalk reservoir oilfield is difficult because the matrix usually has low permeability despite its high porosity. Most oil is thought to come from fracture porosity but the matrix contribution should increase as compaction occurs during production. To better understand the respective contributions from matrix and fracture, we studied the geochemical characteristics of fluids using high-pressure brine flow experiments on chalk cores. During the experiment axial load was changed relative to confining pressure to induce fractures and to close them again. We used chlorine stable isotope variations to study fluid pathway, because chlorine is a chemically conservative element in sedimentary systems and its isotopes fractionate only with physical processes like diffusion or adsorption that could occur mainly in the chalk matrix. A first experiment was performed on a very porous chalk from Henley (on-shore UK) and using a low-salinity brine. Large variations of brine Cl isotope composition were observed (from -0.56 to +0.08 per mil). The variations were correlated positively with the brine flux through the chalk and the permeability of the rock, both parameters controlled by the rock fracturing. A second experiment used brine with salinity similar to that of seawater. In this case, chemical and isotopic variations were not significant. From the beginning, the chalk structure seems to have been destroyed very quickly (induced fracture porosity collapsed) possibly because of the fluid nature, so that whatever pressure was applied, the permeability did not change significantly. Using Valhall reservoir chalk (offshore Norwegian North Sea) and fluid half the salinity of seawater in a third experiment, we obtained a large range of permeabilities. Brine isotopic trends were very similar on average to those of the first experiment even though variations were smaller (Cl isotopes from -0.09 to +0.29 per mil) and not significantly correlated simply to permeability values. The highest isotopic values were in brine flowed through chalk when the permeability was high and fractures opened; the lowest values were in brine flowed through the chalk when its permeability was reduced by closing fractures and increasing the relative contribution from matrix flow where diffusion processes fractionated chlorine isotopes. From this work it seems that the relative contributions from fracture and matrix permeability in reservoirs can be estimated from the geochemical compositions of brines that flowed from them.

Mechanical stratigraphic controls on natural fracture spacing and penetration

NASA Astrophysics Data System (ADS)

McGinnis, Ronald N.; Ferrill, David A.; Morris, Alan P.; Smart, Kevin J.; Lehrmann, Daniel

2017-02-01

Fine-grained low permeability sedimentary rocks, such as shale and mudrock, have drawn attention as unconventional hydrocarbon reservoirs. Fracturing - both natural and induced - is extremely important for increasing permeability in otherwise low-permeability rock. We analyze natural extension fracture networks within a complete measured outcrop section of the Ernst Member of the Boquillas Formation in Big Bend National Park, west Texas. Results of bed-center, dip-parallel scanline surveys demonstrate nearly identical fracture strikes and slight variation in dip between mudrock, chalk, and limestone beds. Fracture spacing tends to increase proportional to bed thickness in limestone and chalk beds; however, dramatic differences in fracture spacing are observed in mudrock. A direct relationship is observed between fracture spacing/thickness ratio and rock competence. Vertical fracture penetrations measured from the middle of chalk and limestone beds generally extend to and often beyond bed boundaries into the vertically adjacent mudrock beds. In contrast, fractures in the mudrock beds rarely penetrate beyond the bed boundaries into the adjacent carbonate beds. Consequently, natural bed-perpendicular fracture connectivity through the mechanically layered sequence generally is poor. Fracture connectivity strongly influences permeability architecture, and fracture prediction should consider thin bed-scale control on fracture heights and the strong lithologic control on fracture spacing.

Modeling multidomain hydraulic properties of shrink-swell soils

NASA Astrophysics Data System (ADS)

Stewart, Ryan D.; Abou Najm, Majdi R.; Rupp, David E.; Selker, John S.

2016-10-01

Shrink-swell soils crack and become compacted as they dry, changing properties such as bulk density and hydraulic conductivity. Multidomain models divide soil into independent realms that allow soil cracks to be incorporated into classical flow and transport models. Incongruously, most applications of multidomain models assume that the porosity distributions, bulk density, and effective saturated hydraulic conductivity of the soil are constant. This study builds on a recently derived soil shrinkage model to develop a new multidomain, dual-permeability model that can accurately predict variations in soil hydraulic properties due to dynamic changes in crack size and connectivity. The model only requires estimates of soil gravimetric water content and a minimal set of parameters, all of which can be determined using laboratory and/or field measurements. We apply the model to eight clayey soils, and demonstrate its ability to quantify variations in volumetric water content (as can be determined during measurement of a soil water characteristic curve) and transient saturated hydraulic conductivity, Ks (as can be measured using infiltration tests). The proposed model is able to capture observed variations in Ks of one to more than two orders of magnitude. In contrast, other dual-permeability models assume that Ks is constant, resulting in the potential for large error when predicting water movement through shrink-swell soils. Overall, the multidomain model presented here successfully quantifies fluctuations in the hydraulic properties of shrink-swell soil matrices, and are suitable for use in physical flow and transport models based on Darcy's Law, the Richards Equation, and the advection-dispersion equation.

Natural variation in germination responses of Arabidopsis to seasonal cues and their associated physiological mechanisms

PubMed Central

Barua, Deepak; Butler, Colleen; Tisdale, Tracy E.; Donohue, Kathleen

2012-01-01

Background and Aims Despite the intense interest in phenological adaptation to environmental change, the fundamental character of natural variation in germination is almost entirely unknown. Specifically, it is not known whether different genotypes within a species are germination specialists to particular conditions, nor is it known what physiological mechanisms of germination regulation vary in natural populations and how they are associated with responses to particular environmental factors. Methods We used a set of recombinant inbred genotypes of Arabidopsis thaliana, in which linkage disequilibrium has been disrupted over seven generations, to test for genetic variation and covariation in germination responses to distinct environmental factors. We then examined physiological mechanisms associated with those responses, including seed-coat permeability and sensitivity to the phytohormones gibberellic acid (GA) and abscisic acid (ABA). Key Results Genetic variation for germination was environment-dependent, but no evidence for specialization of germination to different conditions was found. Hormonal sensitivities also exhibited significant genetic variation, but seed-coat properties did not. GA sensitivity was associated with germination responses to multiple environmental factors, but seed-coat permeability and ABA sensitivity were associated with specific germination responses, suggesting that an evolutionary change in GA sensitivity could affect germination in multiple environments, but that of ABA sensitivity may affect germination under more restricted conditions. Conclusions The physiological mechanisms of germination responses to specific environmental factors therefore can influence the ability to adapt to diverse seasonal environments encountered during colonization of new habitats or with future predicted climate change. PMID:22012958

Digital Rock Physics Aplications: Visualisation Complex Pore and Porosity-Permeability Estimations of the Porous Sandstone Reservoir

NASA Astrophysics Data System (ADS)

Handoyo; Fatkhan; Del, Fourier

2018-03-01

Reservoir rock containing oil and gas generally has high porosity and permeability. High porosity is expected to accommodate hydrocarbon fluid in large quantities and high permeability is associated with the rock’s ability to let hydrocarbon fluid flow optimally. Porosity and permeability measurement of a rock sample is usually performed in the laboratory. We estimate the porosity and permeability of sandstones digitally by using digital images from μCT-Scan. Advantages of the method are non-destructive and can be applied for small rock pieces also easily to construct the model. The porosity values are calculated by comparing the digital image of the pore volume to the total volume of the sandstones; while the permeability values are calculated using the Lattice Boltzmann calculations utilizing the nature of the law of conservation of mass and conservation of momentum of a particle. To determine variations of the porosity and permeability, the main sandstone samples with a dimension of 300 × 300 × 300 pixels are made into eight sub-cubes with a size of 150 × 150 × 150 pixels. Results of digital image modeling fluid flow velocity are visualized as normal velocity (streamline). Variations in value sandstone porosity vary between 0.30 to 0.38 and permeability variations in the range of 4000 mD to 6200 mD. The results of calculations show that the sandstone sample in this research is highly porous and permeable. The method combined with rock physics can be powerful tools for determining rock properties from small rock fragments.

Crustal permeability

USGS Publications Warehouse

Ingebritsen, Steven E.; Gleeson, Tom

2017-01-01

Permeability is the dominant parameter in most hydrogeologic studies. There is abundant evidence for dynamic variations in permeability in time as well as space, and throughout the crust. Whether this dynamic behavior should be included in quantitative models depends on the problem at hand.

Along-axis hydrothermal flow at the axis of slow spreading Mid-Ocean Ridges: Insights from numerical models of the Lucky Strike vent field (MAR)

NASA Astrophysics Data System (ADS)

Fontaine, Fabrice J.; Cannat, Mathilde; Escartin, Javier; Crawford, Wayne C.

2014-07-01

processes and efficiency of hydrothermal heat extraction along the axis of mid-ocean ridges are controlled by lithospheric thermal and permeability structures. Hydrothermal circulation models based on the structure of fast and intermediate spreading ridges predict that hydrothermal cell organization and vent site distribution are primarily controlled by the thermodynamics of high-temperature mid-ocean ridge hydrothermal fluids. Using recent constraints on shallow structure at the slow spreading Lucky Strike segment along the Mid-Atlantic Ridge, we present a physical model of hydrothermal cooling that incorporates the specificities of a magma-rich slow spreading environment. Using three-dimensional numerical models, we show that, in contrast to the aforementioned models, the subsurface flow at Lucky Strike is primarily controlled by across-axis permeability variations. Models with across-axis permeability gradients produce along-axis oriented hydrothermal cells and an alternating pattern of heat extraction highs and lows that match the distribution of microseismic clusters recorded at the Lucky Strike axial volcano. The flow is also influenced by temperature gradients at the base of the permeable hydrothermal domain. Although our models are based on the structure and seismicity of the Lucky Strike segment, across-axis permeability gradients are also likely to occur at faster spreading ridges and these results may also have important implications for the cooling of young crust at fast and intermediate spreading centers.

Using artificial intelligence to predict permeability from petrographic data

NASA Astrophysics Data System (ADS)

Ali, Maqsood; Chawathé, Adwait

2000-10-01

Petrographic data collected during thin section analysis can be invaluable for understanding the factors that control permeability distribution. Reliable prediction of permeability is important for reservoir characterization. The petrographic elements (mineralogy, porosity types, cements and clays, and pore morphology) interact with each other uniquely to generate a specific permeability distribution. It is difficult to quantify accurately this interaction and its consequent effect on permeability, emphasizing the non-linear nature of the process. To capture these non-linear interactions, neural networks were used to predict permeability from petrographic data. The neural net was used as a multivariate correlative tool because of its ability to learn the non-linear relationships between multiple input and output variables. The study was conducted on the upper Queen formation called the Shattuck Member (Permian age). The Shattuck Member is composed of very fine-grained arkosic sandstone. The core samples were available from the Sulimar Queen and South Lucky Lake fields located in Chaves County, New Mexico. Nineteen petrographic elements were collected for each permeability value using a combined minipermeameter-petrographic technique. In order to reduce noise and overfitting the permeability model, these petrographic elements were screened, and their control (ranking) with respect to permeability was determined using fuzzy logic. Since the fuzzy logic algorithm provides unbiased ranking, it was used to reduce the dimensionality of the input variables. Based on the fuzzy logic ranking, only the most influential petrographic elements were selected as inputs for permeability prediction. The neural net was trained and tested using data from Well 1-16 in the Sulimar Queen field. Relying on the ranking obtained from the fuzzy logic analysis, the net was trained using the most influential three, five, and ten petrographic elements. A fast algorithm (the scaled conjugate gradient method) was used to optimize the network weight matrix. The net was then successfully used to predict the permeability in the nearby South Lucky Lake field, also in the Shattuck Member. This study underscored various important aspects of using neural networks as non-linear estimators. The neural network learnt the complex relationships between petrographic control and permeability. By predicting permeability in a remotely-located, yet geologically similar field, the generalizing capability of the neural network was also demonstrated. In old fields, where conventional petrographic analysis was routine, this technique may be used to supplement core permeability estimates.

Nonlinear-regression groundwater flow modeling of a deep regional aquifer system

USGS Publications Warehouse

Cooley, Richard L.; Konikow, Leonard F.; Naff, Richard L.

1986-01-01

A nonlinear regression groundwater flow model, based on a Galerkin finite-element discretization, was used to analyze steady state two-dimensional groundwater flow in the areally extensive Madison aquifer in a 75,000 mi2 area of the Northern Great Plains. Regression parameters estimated include intrinsic permeabilities of the main aquifer and separate lineament zones, discharges from eight major springs surrounding the Black Hills, and specified heads on the model boundaries. Aquifer thickness and temperature variations were included as specified functions. The regression model was applied using sequential F testing so that the fewest number and simplest zonation of intrinsic permeabilities, combined with the simplest overall model, were evaluated initially; additional complexities (such as subdivisions of zones and variations in temperature and thickness) were added in stages to evaluate the subsequent degree of improvement in the model results. It was found that only the eight major springs, a single main aquifer intrinsic permeability, two separate lineament intrinsic permeabilities of much smaller values, and temperature variations are warranted by the observed data (hydraulic heads and prior information on some parameters) for inclusion in a model that attempts to explain significant controls on groundwater flow. Addition of thickness variations did not significantly improve model results; however, thickness variations were included in the final model because they are fairly well defined. Effects on the observed head distribution from other features, such as vertical leakage and regional variations in intrinsic permeability, apparently were overshadowed by measurement errors in the observed heads. Estimates of the parameters correspond well to estimates obtained from other independent sources.

Nonlinear-Regression Groundwater Flow Modeling of a Deep Regional Aquifer System

NASA Astrophysics Data System (ADS)

Cooley, Richard L.; Konikow, Leonard F.; Naff, Richard L.

1986-12-01

A nonlinear regression groundwater flow model, based on a Galerkin finite-element discretization, was used to analyze steady state two-dimensional groundwater flow in the areally extensive Madison aquifer in a 75,000 mi2 area of the Northern Great Plains. Regression parameters estimated include intrinsic permeabilities of the main aquifer and separate lineament zones, discharges from eight major springs surrounding the Black Hills, and specified heads on the model boundaries. Aquifer thickness and temperature variations were included as specified functions. The regression model was applied using sequential F testing so that the fewest number and simplest zonation of intrinsic permeabilities, combined with the simplest overall model, were evaluated initially; additional complexities (such as subdivisions of zones and variations in temperature and thickness) were added in stages to evaluate the subsequent degree of improvement in the model results. It was found that only the eight major springs, a single main aquifer intrinsic permeability, two separate lineament intrinsic permeabilities of much smaller values, and temperature variations are warranted by the observed data (hydraulic heads and prior information on some parameters) for inclusion in a model that attempts to explain significant controls on groundwater flow. Addition of thickness variations did not significantly improve model results; however, thickness variations were included in the final model because they are fairly well defined. Effects on the observed head distribution from other features, such as vertical leakage and regional variations in intrinsic permeability, apparently were overshadowed by measurement errors in the observed heads. Estimates of the parameters correspond well to estimates obtained from other independent sources.

Fractal Theory for Permeability Prediction, Venezuelan and USA Wells

NASA Astrophysics Data System (ADS)

Aldana, Milagrosa; Altamiranda, Dignorah; Cabrera, Ana

2014-05-01

Inferring petrophysical parameters such as permeability, porosity, water saturation, capillary pressure, etc, from the analysis of well logs or other available core data has always been of critical importance in the oil industry. Permeability in particular, which is considered to be a complex parameter, has been inferred using both empirical and theoretical techniques. The main goal of this work is to predict permeability values on different wells using Fractal Theory, based on a method proposed by Pape et al. (1999). This approach uses the relationship between permeability and the geometric form of the pore space of the rock. This method is based on the modified equation of Kozeny-Carman and a fractal pattern, which allows determining permeability as a function of the cementation exponent, porosity and the fractal dimension. Data from wells located in Venezuela and the United States of America are analyzed. Employing data of porosity and permeability obtained from core samples, and applying the Fractal Theory method, we calculated the prediction equations for each well. At the beginning, this was achieved by training with 50% of the data available for each well. Afterwards, these equations were tested inferring over 100% of the data to analyze possible trends in their distribution. This procedure gave excellent results in all the wells in spite of their geographic distance, generating permeability models with the potential to accurately predict permeability logs in the remaining parts of the well for which there are no core samples, using even porority logs. Additionally, empirical models were used to determine permeability and the results were compared with those obtained by applying the fractal method. The results indicated that, although there are empirical equations that give a proper adjustment, the prediction results obtained using fractal theory give a better fit to the core reference data.

Permeability and Strength Measurements on Sintered, Porous, Hollow Turbine Blades Made by the American Electro Metal Corporation under Office of Naval Research Contract N-ONR-295 (01)

NASA Technical Reports Server (NTRS)

Richards, Hadley T.; Livingood, N.B.

1954-01-01

An experimental investigation was made to determine the permeability and strength characteristics of a number of sintered, porous, hollow turbine rotor blades and to determine the effectiveness of the blade fabrication method on permeability control. The test blades were fabricated by the American Electro Metal Corporation under a contract with the Office of Naval Research, Department of the Navy, and were submitted to the NACA for testing. Of the 22 test blades submitted, ten were sintered but not coined, five were sintered and coined, and seven were sintered and not coined but contained perforated reinforcements integral with the blade shells. Representative samples of each group of blades were tested. Large variations in permeability in both chordwise and spanwise directions were found. Local deviations as large as 155 to -85 percent from prescribed values were found in chordwise permeability. Only one blade, an uncoined one, had a chordwise permeability variations which reasonably approached that specified. Even for this blade, local deviations exceeded 10 percent. Spanwise permeability, specified to be held constant, varied as much as 50 percent from root to tip for both an uncoined and a coined blade. Previous NACA analyses have shown that in order to maintain proper control of blade wall temperatures, permeability variations must not exceed plus or minus 10 percent. Satisfactory control of permeability in either the chordwise or the spanwise direction was not achieved in the blades tested. Spin tests made at room temperature for six blades revealed the highest material rupture strength to be 8926 pounds per square inch. This value is about one third the strength required for rotor blades in present-day turbojet engines. The lowest value of blade strength was 1436 pounds per square inch.

Decision trees to characterise the roles of permeability and solubility on the prediction of oral absorption.

PubMed

Newby, Danielle; Freitas, Alex A; Ghafourian, Taravat

2015-01-27

Oral absorption of compounds depends on many physiological, physiochemical and formulation factors. Two important properties that govern oral absorption are in vitro permeability and solubility, which are commonly used as indicators of human intestinal absorption. Despite this, the nature and exact characteristics of the relationship between these parameters are not well understood. In this study a large dataset of human intestinal absorption was collated along with in vitro permeability, aqueous solubility, melting point, and maximum dose for the same compounds. The dataset allowed a permeability threshold to be established objectively to predict high or low intestinal absorption. Using this permeability threshold, classification decision trees incorporating a solubility-related parameter such as experimental or predicted solubility, or the melting point based absorption potential (MPbAP), along with structural molecular descriptors were developed and validated to predict oral absorption class. The decision trees were able to determine the individual roles of permeability and solubility in oral absorption process. Poorly permeable compounds with high solubility show low intestinal absorption, whereas poorly water soluble compounds with high or low permeability may have high intestinal absorption provided that they have certain molecular characteristics such as a small polar surface or specific topology. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Permeability of twenty-two small diameter hardwoods growing on southern pine sites

Treesearch

E.T. Choong; F.O. Tesoro; F.G. Manwiller

1974-01-01

Gas permeability of hardwoods growing on southern pine sites is significantly affected by moisture content in the longitudinal direction. The ratio of permeability in the transverse to longitudinal directions is from 12,000:1 for post oak to over 1,000,000:1 for other oaks, but it is not affected by moisture. Although variation in longitudinal permeability varies...

permeability of twenty-two small diameter hardwoods growing on southern pine sites

Treesearch

E.T. Choong; F.O. Tesora

1974-01-01

Gas permeability of hardwoods growing on southern pine sites is significantly affected by moisture content in the longitudinal direction. The ratio of permeability in the transverse to longitudinal directions is from 12,000:1 for post oak to over 1,000,000:1 for other oaks, but it is not affected by moisture. Although variation in longitudinal permeability varies...

Analysis of Basis Weight Uniformity of Microfiber Nonwovens and Its Impact on Permeability and Filtration Properties

NASA Astrophysics Data System (ADS)

Amirnasr, Elham

It is widely recognized that nonwoven basis weight non-uniformity affects various properties of nonwovens. However, few studies can be found in this topic. The development of uniformity definition and measurement methods and the study of their impact on various web properties such as filtration properties and air permeability would be beneficial both in industrial applications and in academia. They can be utilized as a quality control tool and would provide insights about nonwoven behaviors that cannot be solely explained by average values. Therefore, for quantifying nonwoven web basis weight uniformity we purse to develop an optical analytical tool. The quadrant method and clustering analysis was utilized in an image analysis scheme to help define "uniformity" and its spatial variation. Implementing the quadrant method in an image analysis system allows the establishment of a uniformity index that can be used to quantify the degree of uniformity. Clustering analysis has also been modified and verified using uniform and random simulated images with known parameters. Number of clusters and cluster properties such as cluster size, member and density was determined. We also utilized this new measurement method to evaluate uniformity of nonwovens produced with different processes and investigated impacts of uniformity on filtration and permeability. The results of quadrant method shows that uniformity index computed from quadrant method demonstrate a good range for non-uniformity of nonwoven webs. Clustering analysis is also been applied on reference nonwoven with known visual uniformity. From clustering analysis results, cluster size is promising to be used as uniformity parameter. It is been shown that non-uniform nonwovens has provide lager cluster size than uniform nonwovens. It was been tried to find a relationship between web properties and uniformity index (as a web characteristic). To achieve this, filtration properties, air permeability, solidity and uniformity index of meltblown and spunbond samples was measured. Results for filtration test show some deviation between theoretical and experimental filtration efficiency by considering different types of fiber diameter. This deviation can occur due to variation in basis weight non-uniformity. So an appropriate theory is required to predict the variation of filtration efficiency with respect to non-uniformity of nonwoven filter media. And the results for air permeability test showed that uniformity index determined by quadrant method and measured properties have some relationship. In the other word, air permeability decreases as uniformity index on nonwoven web increase.

Identification of a residue in helix 2 of rice plasma membrane intrinsic proteins that influences water permeability.

PubMed

Zhang, Minhua; Lü, Shouqin; Li, Guowei; Mao, Zhilei; Yu, Xin; Sun, Weining; Tang, Zhangcheng; Long, Mian; Su, Weiai

2010-12-31

Molecular selection, ion exclusion, and water permeation are well known regulatory mechanisms in aquaporin. Water permeability was found to be diverse in different subgroups of plasma membrane intrinsic proteins (PIPs), even though the residues surrounding the water holes remained the same across the subgroups. Upon homology modeling and structural comparison, a conserved Ala/Ile(Val) residue difference was identified in helix 2 that affected the conformation of the NPA region and consequently influenced the water permeability. The residue difference was found to be conservative within the two subgroups of PIPs in rice as well as in other plants. Functional tests further confirmed the prediction via site-directed mutagenesis where replacement of Ala(103) or Ala(102) in respective OsPIP1;1 or OsPIP1;3 with Val yielded 7.0- and 2.2-fold increases in water transportation, and substitution of Ile(98) or Val(95) in respective OsPIP2;3 or OsPIP2;7 with Ala resulted in 73 or 52% reduction of water transportation. Based on structural analyses and molecular dynamics simulations, we proposed that the difference in water permeability was attributed to the orientation variations of helix 2 that modified water-water and water-protein interactions.

Unconventional Tight Reservoirs Characterization with Nuclear Magnetic Resonance

NASA Astrophysics Data System (ADS)

Santiago, C. J. S.; Solatpour, R.; Kantzas, A.

2017-12-01

The increase in tight reservoir exploitation projects causes producing many papers each year on new, modern, and modified methods and techniques on estimating characteristics of these reservoirs. The most ambiguous of all basic reservoir property estimations deals with permeability. One of the logging methods that is advertised to predict permeability but is always met by skepticism is Nuclear Magnetic Resonance (NMR). The ability of NMR to differentiate between bound and movable fluids and providing porosity increased the capability of NMR as a permeability prediction technique. This leads to a multitude of publications and the motivation of a review paper on this subject by Babadagli et al. (2002). The first part of this presentation is dedicated to an extensive review of the existing correlation models for NMR based estimates of tight reservoir permeability to update this topic. On the second part, the collected literature information is used to analyze new experimental data. The data are collected from tight reservoirs from Canada, the Middle East, and China. A case study is created to apply NMR measurement in the prediction of reservoir characterization parameters such as porosity, permeability, cut-offs, irreducible saturations etc. Moreover, permeability correlations are utilized to predict permeability. NMR experiments were conducted on water saturated cores. NMR T2 relaxation times were measured. NMR porosity, the geometric mean relaxation time (T2gm), Irreducible Bulk Volume (BVI), and Movable Bulk Volume (BVM) were calculated. The correlation coefficients were computed based on multiple regression analysis. Results are cross plots of NMR permeability versus the independently measured Klinkenberg corrected permeability. More complicated equations are discussed. Error analysis of models is presented and compared. This presentation is beneficial in understanding existing tight reservoir permeability models. The results can be used as a guide for choosing the best permeability estimation model for tight reservoirs data.

Impact of Chemical Structure on Conjunctival Drug Permeability: Adopting Porcine Conjunctiva and Cassette Dosing for Construction of In Silico Model.

PubMed

Ramsay, Eva; Ruponen, Marika; Picardat, Théo; Tengvall, Unni; Tuomainen, Marjo; Auriola, Seppo; Toropainen, Elisa; Urtti, Arto; Del Amo, Eva M

2017-09-01

Conjunctiva occupies most of the ocular surface area, and conjunctival permeability affects ocular and systemic drug absorption of topical ocular medications. Therefore, the aim of this study was to obtain a computational in silico model for structure-based prediction of conjunctival drug permeability. This was done by employing cassette dosing and quantitative structure-property relationship (QSPR) approach. Permeability studies were performed ex vivo across fresh porcine conjunctiva and simultaneous dosing of a cassette mixture composed of 32 clinically relevant drug molecules with wide chemical space. The apparent permeability values were obtained using drug concentrations that were quantified with liquid chromatography tandem-mass spectrometry. The experimental data were utilized for building a QSPR model for conjunctival permeability predictions. The conjunctival permeability values presented a 17-fold range (0.63-10.74 × 10 -6 cm/s). The final QSPR had a Q 2 value of 0.62 and predicted the external test set with a mean fold error of 1.34. The polar surface area, hydrogen bond donor, and halogen ratio were the most relevant descriptors for defining conjunctival permeability. This work presents for the first time a predictive QSPR model of conjunctival drug permeability and a comprehensive description on conjunctival isolation from the porcine eye. The model can be used for developing new ocular drugs. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Pore Space Connectivity and the Transport Properties of Rocks

DOE PAGES

Bernabé, Yves; Li, Min; Tang, Yan-Bing; ...

2016-06-23

Pore connectivity is likely one of the most important factors affecting the permeability of reservoir rocks. Furthermore, connectivity effects are not restricted to materials approaching a percolation transition but can continuously and gradually occur in rocks undergoing geological processes such as mechanical and chemical diagenesis. Here, we compiled sets of published measurements of porosity, permeability and formation factor, performed in samples of unconsolidated granular aggregates, in which connectivity does not change, and in two other materials, sintered glass beads and Fontainebleau sandstone, in which connectivity does change. We compared these data to the predictions of a Kozeny-Carman model of permeability,more » which does not account for variations in connectivity, and to those of Bernabé et al. (2010, 2011) model, which does [Bernabé Y., Li M., Maineult A. (2010) Permeability and pore connectivity: a new model based on network simulations, J. Geophys. Res. 115, B10203; Bernabé Y., Zamora M., Li M., Maineult A., Tang Y.B. (2011) Pore connectivity, permeability and electrical formation factor: a new model and comparison to experimental data, J. Geophys. Res. 116, B11204]. Both models agreed equally well with experimental data obtained in unconsolidated granular media. But, in the other materials, especially in the low porosity samples that had undergone the greatest amount of sintering or diagenesis, only Bernabé et al. model matched the experimental data satisfactorily. In comparison, predictions of the Kozeny-Carman model differed by orders of magnitude. The advantage of the Bernabé et al. model was its ability to account for a continuous, gradual reduction in pore connectivity during sintering or diagenesis. Though we can only speculate at this juncture about the mechanisms responsible for the connectivity reduction, we propose two possible mechanisms, likely to be active at different stages of sintering and diagenesis, and thus allowing the gradual evolution observed experimentally.« less

Pore Space Connectivity and the Transport Properties of Rocks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernabé, Yves; Li, Min; Tang, Yan-Bing

Pore connectivity is likely one of the most important factors affecting the permeability of reservoir rocks. Furthermore, connectivity effects are not restricted to materials approaching a percolation transition but can continuously and gradually occur in rocks undergoing geological processes such as mechanical and chemical diagenesis. Here, we compiled sets of published measurements of porosity, permeability and formation factor, performed in samples of unconsolidated granular aggregates, in which connectivity does not change, and in two other materials, sintered glass beads and Fontainebleau sandstone, in which connectivity does change. We compared these data to the predictions of a Kozeny-Carman model of permeability,more » which does not account for variations in connectivity, and to those of Bernabé et al. (2010, 2011) model, which does [Bernabé Y., Li M., Maineult A. (2010) Permeability and pore connectivity: a new model based on network simulations, J. Geophys. Res. 115, B10203; Bernabé Y., Zamora M., Li M., Maineult A., Tang Y.B. (2011) Pore connectivity, permeability and electrical formation factor: a new model and comparison to experimental data, J. Geophys. Res. 116, B11204]. Both models agreed equally well with experimental data obtained in unconsolidated granular media. But, in the other materials, especially in the low porosity samples that had undergone the greatest amount of sintering or diagenesis, only Bernabé et al. model matched the experimental data satisfactorily. In comparison, predictions of the Kozeny-Carman model differed by orders of magnitude. The advantage of the Bernabé et al. model was its ability to account for a continuous, gradual reduction in pore connectivity during sintering or diagenesis. Though we can only speculate at this juncture about the mechanisms responsible for the connectivity reduction, we propose two possible mechanisms, likely to be active at different stages of sintering and diagenesis, and thus allowing the gradual evolution observed experimentally.« less

Permeability Prediction in Deep Coal Seam: A Case Study on the No. 3 Coal Seam of the Southern Qinshui Basin in China

PubMed Central

2013-01-01

The coal permeability is an important parameter in mine methane control and coal bed methane (CBM) exploitation, which determines the practicability of methane extraction. Permeability prediction in deep coal seam plays a significant role in evaluating the practicability of CBM exploitation. The coal permeability depends on the coal fractures controlled by strata stress, gas pressure, and strata temperature which change with depth. The effect of the strata stress, gas pressure, and strata temperature on the coal (the coal matrix and fracture) under triaxial stress and strain conditions was studied. Then we got the change of coal porosity with strata stress, gas pressure, and strata temperature and established a coal permeability model under tri-axial stress and strain conditions. The permeability of the No. 3 coal seam of the Southern Qinshui Basin in China was predicted, which is consistent with that tested in the field. The effect of the sorption swelling on porosity (permeability) firstly increases rapidly and then slowly with the increase of depth. However, the effect of thermal expansion and effective stress compression on porosity (permeability) increases linearly with the increase of depth. The most effective way to improve the permeability in exploiting CBM or extracting methane is to reduce the effective stress. PMID:24396293

Quantitative structure-permeability relationships at various pH values for acidic and basic drugs and drug-like compounds.

PubMed

Oja, M; Maran, U

2015-01-01

Absorption in gastrointestinal tract compartments varies and is largely influenced by pH. Therefore, considering pH in studies and analyses of membrane permeability provides an opportunity to gain a better understanding of the behaviour of compounds and to obtain good permeability estimates for prediction purposes. This study concentrates on relationships between the chemical structure and membrane permeability of acidic and basic drugs and drug-like compounds. The membrane permeability of 36 acidic and 61 basic compounds was measured using the parallel artificial membrane permeability assay (PAMPA) at pH 3, 5, 7.4 and 9. Descriptive and/or predictive single-parameter quantitative structure-permeability relationships were derived for all pH values. For acidic compounds, membrane permeability is mainly influenced by hydrogen bond donor properties, as revealed by models with r(2) > 0.8 for pH 3 and pH 5. For basic compounds, the best (r(2) > 0.7) structure-permeability relationships are obtained with the octanol-water distribution coefficient for pH 7.4 and pH 9, indicating the importance of partition properties. In addition to the validation set, the prediction quality of the developed models was tested with folic acid and astemizole, showing good matches between experimental and calculated membrane permeabilities at key pHs. Selected QSAR models are available at the QsarDB repository ( http://dx.doi.org/10.15152/QDB.166 ).

Predicting phenolic acid absorption in Caco-2 cells: a theoretical permeability model and mechanistic study.

PubMed

Farrell, Tracy L; Poquet, Laure; Dew, Tristan P; Barber, Stuart; Williamson, Gary

2012-02-01

There is a considerable need to rationalize the membrane permeability and mechanism of transport for potential nutraceuticals. The aim of this investigation was to develop a theoretical permeability equation, based on a reported descriptive absorption model, enabling calculation of the transcellular component of absorption across Caco-2 monolayers. Published data for Caco-2 permeability of 30 drugs transported by the transcellular route were correlated with the descriptors 1-octanol/water distribution coefficient (log D, pH 7.4) and size, based on molecular mass. Nonlinear regression analysis was used to derive a set of model parameters a', β', and b' with an integrated molecular mass function. The new theoretical transcellular permeability (TTP) model obtained a good fit of the published data (R² = 0.93) and predicted reasonably well (R² = 0.86) the experimental apparent permeability coefficient (P(app)) for nine non-training set compounds reportedly transported by the transcellular route. For the first time, the TTP model was used to predict the absorption characteristics of six phenolic acids, and this original investigation was supported by in vitro Caco-2 cell mechanistic studies, which suggested that deviation of the P(app) value from the predicted transcellular permeability (P(app)(trans)) may be attributed to involvement of active uptake, efflux transporters, or paracellular flux.

Highly predictive and interpretable models for PAMPA permeability.

PubMed

Sun, Hongmao; Nguyen, Kimloan; Kerns, Edward; Yan, Zhengyin; Yu, Kyeong Ri; Shah, Pranav; Jadhav, Ajit; Xu, Xin

2017-02-01

Cell membrane permeability is an important determinant for oral absorption and bioavailability of a drug molecule. An in silico model predicting drug permeability is described, which is built based on a large permeability dataset of 7488 compound entries or 5435 structurally unique molecules measured by the same lab using parallel artificial membrane permeability assay (PAMPA). On the basis of customized molecular descriptors, the support vector regression (SVR) model trained with 4071 compounds with quantitative data is able to predict the remaining 1364 compounds with the qualitative data with an area under the curve of receiver operating characteristic (AUC-ROC) of 0.90. The support vector classification (SVC) model trained with half of the whole dataset comprised of both the quantitative and the qualitative data produced accurate predictions to the remaining data with the AUC-ROC of 0.88. The results suggest that the developed SVR model is highly predictive and provides medicinal chemists a useful in silico tool to facilitate design and synthesis of novel compounds with optimal drug-like properties, and thus accelerate the lead optimization in drug discovery. Copyright © 2016 Elsevier Ltd. All rights reserved.

Prediction of Central Nervous System Side Effects Through Drug Permeability to Blood-Brain Barrier and Recommendation Algorithm.

PubMed

Fan, Jun; Yang, Jing; Jiang, Zhenran

2018-04-01

Drug side effects are one of the public health concerns. Using powerful machine-learning methods to predict potential side effects before the drugs reach the clinical stages is of great importance to reduce time consumption and protect the security of patients. Recently, researchers have proved that the central nervous system (CNS) side effects of a drug are closely related to its permeability to the blood-brain barrier (BBB). Inspired by this, we proposed an extended neighborhood-based recommendation method to predict CNS side effects using drug permeability to the BBB and other known features of drug. To the best of our knowledge, this is the first attempt to predict CNS side effects considering drug permeability to the BBB. Computational experiments demonstrated that drug permeability to the BBB is an important factor in CNS side effects prediction. Moreover, we built an ensemble recommendation model and obtained higher AUC score (area under the receiver operating characteristic curve) and AUPR score (area under the precision-recall curve) on the data set of CNS side effects by integrating various features of drug.

Controlling the hydration of the skin though the application of occluding barrier creams

PubMed Central

Sparr, Emma; Millecamps, Danielle; Isoir, Muriel; Burnier, Véronique; Larsson, Åsa; Cabane, Bernard

2013-01-01

The skin is a barrier membrane that separates environments with profoundly different water contents. The barrier properties are assured by the outer layer of the skin, the stratum corneum (SC), which controls the transepidermal water loss. The SC acts as a responding membrane, since its hydration and permeability vary with the boundary condition, which is the activity of water at the outer surface of the skin. We show how this boundary condition can be changed by the application of a barrier cream that makes a film with a high resistance to the transport of water. We present a quantitative model that predicts hydration and water transport in SC that is covered by such a film. We also develop an experimental method for measuring the specific resistance to water transport of films made of occluding barrier creams. Finally, we combine the theoretical model with the measured properties of the barrier creams to predict how a film of cream changes the activity of water at the outer surface of the SC. Using the known variations of SC permeability and hydration with the water activity in its environment (i.e. the relative humidity), we can thus predict how a film of barrier cream changes SC hydration. PMID:23269846

Controlling the hydration of the skin though the application of occluding barrier creams.

PubMed

Sparr, Emma; Millecamps, Danielle; Isoir, Muriel; Burnier, Véronique; Larsson, Åsa; Cabane, Bernard

2013-03-06

The skin is a barrier membrane that separates environments with profoundly different water contents. The barrier properties are assured by the outer layer of the skin, the stratum corneum (SC), which controls the transepidermal water loss. The SC acts as a responding membrane, since its hydration and permeability vary with the boundary condition, which is the activity of water at the outer surface of the skin. We show how this boundary condition can be changed by the application of a barrier cream that makes a film with a high resistance to the transport of water. We present a quantitative model that predicts hydration and water transport in SC that is covered by such a film. We also develop an experimental method for measuring the specific resistance to water transport of films made of occluding barrier creams. Finally, we combine the theoretical model with the measured properties of the barrier creams to predict how a film of cream changes the activity of water at the outer surface of the SC. Using the known variations of SC permeability and hydration with the water activity in its environment (i.e. the relative humidity), we can thus predict how a film of barrier cream changes SC hydration.

Predicting both passive intestinal absorption and the dissociation constant toward albumin using the PAMPA technique.

PubMed

Bujard, Alban; Sol, Marine; Carrupt, Pierre-Alain; Martel, Sophie

2014-10-15

The parallel artificial membrane permeability assay (PAMPA) is a high-throughput screening (HTS) method that is widely used to predict in vivo passive permeability through biological barriers, such as the skin, the blood brain barrier (BBB) and the gastrointestinal tract (GIT). The PAMPA technique has also been used to predict the dissociation constant (Kd) between a compound and human serum albumin (HSA) while disregarding passive permeability. Furthermore, the assay is based on the use of two separate 5-point kinetic experiments, which increases the analysis time. In the present study, we adapted the hexadecane membrane (HDM)-PAMPA assay to both predict passive gastrointestinal absorption via the permeability coefficient logPe value and determine the Kd. Two assays were performed: one in the presence and one in the absence of HSA in the acceptor compartment. In the absence of HSA, logPe values were determined after a 4-h incubation time, as originally described, but the dimethylsulfoxide (DMSO) percentage and pH were altered to be compatible with the protein. In parallel, a second PAMPA assay was performed in the presence of HSA during a 16-h incubation period. By adding HSA, a variation in the amount of compound crossing the membrane was observed compared to the permeability measured in the absence of HSA. The concentration of compound reaching the acceptor compartment in each case was used to determine both parameters (logPe and logKd) using numerical simulations, which highlighted the originality of this method because these calculations required only two endpoint measurements instead of a complete kinetic study. It should be noted that the amount of compound that reaches the acceptor compartment in the presence of HSA is modulated by complex dissociation in the receptor compartment. Only compounds that are moderately bound to albumin (-3

Interplay of biopharmaceutics, biopharmaceutics drug disposition and salivary excretion classification systems

PubMed Central

Idkaidek, Nasir M.

2013-01-01

The aim of this commentary is to investigate the interplay of Biopharmaceutics Classification System (BCS), Biopharmaceutics Drug Disposition Classification System (BDDCS) and Salivary Excretion Classification System (SECS). BCS first classified drugs based on permeability and solubility for the purpose of predicting oral drug absorption. Then BDDCS linked permeability with hepatic metabolism and classified drugs based on metabolism and solubility for the purpose of predicting oral drug disposition. On the other hand, SECS classified drugs based on permeability and protein binding for the purpose of predicting the salivary excretion of drugs. The role of metabolism, rather than permeability, on salivary excretion is investigated and the results are not in agreement with BDDCS. Conclusion The proposed Salivary Excretion Classification System (SECS) can be used as a guide for drug salivary excretion based on permeability (not metabolism) and protein binding. PMID:24493977

Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alves, Vinicius M.; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599; Muratov, Eugene

Skin permeability is widely considered to be mechanistically implicated in chemically-induced skin sensitization. Although many chemicals have been identified as skin sensitizers, there have been very few reports analyzing the relationships between molecular structure and skin permeability of sensitizers and non-sensitizers. The goals of this study were to: (i) compile, curate, and integrate the largest publicly available dataset of chemicals studied for their skin permeability; (ii) develop and rigorously validate QSAR models to predict skin permeability; and (iii) explore the complex relationships between skin sensitization and skin permeability. Based on the largest publicly available dataset compiled in this study, wemore » found no overall correlation between skin permeability and skin sensitization. In addition, cross-species correlation coefficient between human and rodent permeability data was found to be as low as R{sup 2} = 0.44. Human skin permeability models based on the random forest method have been developed and validated using OECD-compliant QSAR modeling workflow. Their external accuracy was high (Q{sup 2}{sub ext} = 0.73 for 63% of external compounds inside the applicability domain). The extended analysis using both experimentally-measured and QSAR-imputed data still confirmed the absence of any overall concordance between skin permeability and skin sensitization. This observation suggests that chemical modifications that affect skin permeability should not be presumed a priori to modulate the sensitization potential of chemicals. The models reported herein as well as those developed in the companion paper on skin sensitization suggest that it may be possible to rationally design compounds with the desired high skin permeability but low sensitization potential. - Highlights: • It was compiled the largest publicly-available skin permeability dataset. • Predictive QSAR models were developed for skin permeability. • No concordance between skin sensitization and skin permeability has been found. • Structural rules for optimizing sensitization and penetration were established.« less

In-situ intestinal rat perfusions for human Fabs prediction and BCS permeability class determination: Investigation of the single-pass vs. the Doluisio experimental approaches.

PubMed

Lozoya-Agullo, Isabel; Zur, Moran; Wolk, Omri; Beig, Avital; González-Álvarez, Isabel; González-Álvarez, Marta; Merino-Sanjuán, Matilde; Bermejo, Marival; Dahan, Arik

2015-03-01

Intestinal drug permeability has been recognized as a critical determinant of the fraction dose absorbed, with direct influence on bioavailability, bioequivalence and biowaiver. The purpose of this research was to compare intestinal permeability values obtained by two different intestinal rat perfusion methods: the single-pass intestinal perfusion (SPIP) model and the Doluisio (closed-loop) rat perfusion method. A list of 15 model drugs with different permeability characteristics (low, moderate, and high, as well as passively and actively absorbed) was constructed. We assessed the rat intestinal permeability of these 15 model drugs in both SPIP and the Doluisio methods, and evaluated the correlation between them. We then evaluated the ability of each of these methods to predict the fraction dose absorbed (Fabs) in humans, and to assign the correct BCS permeability class membership. Excellent correlation was obtained between the two experimental methods (r(2)=0.93). An excellent correlation was also shown between literature Fabs values and the predictions made by both rat perfusion techniques. Similar BCS permeability class membership was designated by literature data and by both SPIP and Doluisio methods for all compounds. In conclusion, the SPIP model and the Doluisio (closed-loop) rat perfusion method are both equally useful for obtaining intestinal permeability values that can be used for Fabs prediction and BCS classification. Copyright © 2015 Elsevier B.V. All rights reserved.

Modeling relative permeability of water in soil: Application of effective-medium approximation and percolation theory

NASA Astrophysics Data System (ADS)

Ghanbarian, Behzad; Sahimi, Muhammad; Daigle, Hugh

2016-07-01

Accurate prediction of the relative permeability to water under partially saturated condition has broad applications and has been studied intensively since the 1940s by petroleum, chemical, and civil engineers, as well as hydrologists and soil scientists. Many models have been developed for this purpose, ranging from those that represent the pore space as a bundle of capillary tubes, to those that utilize complex networks of interconnected pore bodies and pore throats with various cross-section shapes. In this paper, we propose an approach based on the effective-medium approximation (EMA) and percolation theory in order to predict the water relative permeability. The approach is general and applicable to any type of porous media. We use the method to compute the water relative permeability in porous media whose pore-size distribution follows a power law. The EMA is invoked to predict the relative permeability from the fully saturated pore space to some intermediate water saturation that represents a crossover from the EMA to what we refer to as the "critical region." In the critical region below the crossover water saturation Swx, but still above the critical water saturation Swc (the residual saturation or the percolation threshold of the water phase), the universal power law predicted by percolation theory is used to compute the relative permeability. To evaluate the accuracy of the approach, data for 21 sets of undisturbed laboratory samples were selected from the UNSODA database. For 14 cases, the predicted relative permeabilities are in good agreement with the data. For the remaining seven samples, however, the theory underestimates the relative permeabilities. Some plausible sources of the discrepancy are discussed.

High-Resolution Seismic Definition of the Distribution of Gas in the West Svalbard Margin

NASA Astrophysics Data System (ADS)

Minshull, T. A.; Westbrook, G. K.; Marin-Moreno, H.; Marsset, B.; Ker, S.; Sarkar, S.; Vardy, M. E.; Henstock, T.

2014-12-01

The widespread presence of gas beneath the seabed west of Svalbard is shown by negative-polarity high-amplitude reflectors (nephars), imaged in high-resolution near-surface and deep-towed seismic reflection data. The principal controls on the presence of gas are the gas hydrate stability zone (GHSZ), from which free gas is generally excluded, and stratigraphic control of permeable layers. A widespread bottom-simulating reflector (BSR) beneath the lower-mid continental slope indicates gas at the base of the GHSZ. The depth of the base of the GHSZ predicted by a numerical model that takes in to account variation in ocean temperature over the past two thousand years, is consistent with the depth of the BSR, even at its shallowest depth, where a steady-state model places base of the GHSZ shallower than the BSR. Similarly, farther up slope, where the BSR loses it coherency, the depths of the shallowest nephars are compatible with the predicted depth of the base of the GHSZ from the time-dependent model, but are about three times deeper than the predicted steady-state depth of the BSR. This approach to defining the limits of the GHSZ is not precise, as it depends upon the presence of gas. In the shallow sediment sequence, which has a high proportion of glacigenic sediments, gas is restricted to a smaller number of permeable units than in the contourite-dominated sequence farther down the continental slope. Where the seabed is shallower than the GHSZ, numerous plumes of methane gas ascend from the seabed, and gas, which has migrated up slope through dipping permeable layers, locally ponds beneath a thin veneer of unconformable glacial and post-glacial sediments on the continental shelf.

Development of a Hydrogeological Model of the Borrowdale Volcanics at Sellafield

NASA Astrophysics Data System (ADS)

Lunn, R. J.; Lunn, A. D.; Mackay, R.

This work has arisen out of recent developments within the radioactive waste research programme managed by Her Majesty's Inspectorate of Pollution, UK (HMIP)*, to develop an integrated flow and transport model for the potential deep radioactive waste repository at Sellafield. One of the largest sources of uncertainty in model predictions, is the characterisation of the hydrogeological properties of the underlying strata, in particular, of the Borrowdale Volcanic Group (BVG) within which the repository is to be located. Analysis of the available borehole data (that released by the proponent company, Nirex, by December 1995) for the BVG formation has indicated a dual regime consisting of flow within faults and flow within the matrix (or an equivalent porous medium containing micro-fractures). Significant relationships between permeability, depth and the presence and orientation of faults have been identified; they account for a variation of up to 6 orders of magnitude in mean permeability measurements. This can be explained in part by the effect of the orientation of the current maximum principal stress directions within the BVG: however, it is likely that permeability is also dependent on the existence of fracture families, which cannot be effectively identified from the data currently available. These analyses have enabled considerable insight to be gained into the dominant features of flow within the BVG. The conceptual hydrogeological model derived here will have a significant effect on the outcome and reliability of future radionuclide transport predictions in the Sellafield area.

Assessing deep-seated landslide susceptibility using 3-D groundwater and slope-stability analyses, southwestern Seattle, Washington

USGS Publications Warehouse

Brien, Dianne L.; Reid, Mark E.

2008-01-01

In Seattle, Washington, deep-seated landslides on bluffs along Puget Sound have historically caused extensive damage to land and structures. These large failures are controlled by three-dimensional (3-D) variations in strength and pore-water pressures. We assess the slope stability of part of southwestern Seattle using a 3-D limit-equilibrium analysis coupled with a 3-D groundwater flow model. Our analyses use a high-resolution digital elevation model (DEM) combined with assignment of strength and hydraulic properties based on geologic units. The hydrogeology of the Seattle area consists of a layer of permeable glacial outwash sand that overlies less permeable glacial lacustrine silty clay. Using a 3-D groundwater model, MODFLOW-2000, we simulate a water table above the less permeable units and calibrate the model to observed conditions. The simulated pore-pressure distribution is then used in a 3-D slope-stability analysis, SCOOPS, to quantify the stability of the coastal bluffs. For wet winter conditions, our analyses predict that the least stable areas are steep hillslopes above Puget Sound, where pore pressures are elevated in the outwash sand. Groundwater flow converges in coastal reentrants, resulting in elevated pore pressures and destabilization of slopes. Regions predicted to be least stable include the areas in or adjacent to three mapped historically active deep-seated landslides. The results of our 3-D analyses differ significantly from a slope map or results from one-dimensional (1-D) analyses.

Mechanism-based pharmacokinetic modeling to evaluate transporter-enzyme interplay in drug interactions and pharmacogenetics of glyburide.

PubMed

Varma, Manthena V S; Scialis, Renato J; Lin, Jian; Bi, Yi-An; Rotter, Charles J; Goosen, Theunis C; Yang, Xin

2014-07-01

The purpose of this study is to characterize the involvement of hepato-biliary transport and cytochrome-P450 (CYP)-mediated metabolism in the disposition of glyburide and predict its pharmacokinetic variability due to drug interactions and genetic variations. Comprehensive in vitro studies suggested that glyburide is a highly permeable drug with substrate affinity to multiple efflux pumps and to organic anion transporting polypeptide (OATP)1B1 and OATP2B1. Active hepatic uptake was found to be significantly higher than the passive uptake clearance (15.8 versus 5.3 μL/min/10(6)-hepatocytes), using the sandwich-cultured hepatocyte model. In vitro, glyburide is metabolized (intrinsic clearance, 52.9 μL/min/mg-microsomal protein) by CYP3A4, CYP2C9, and CYP2C8 with fraction metabolism of 0.53, 0.36, and 0.11, respectively. Using these in vitro data, physiologically based pharmacokinetic models, assuming rapid-equilibrium between blood and liver compartments or permeability-limited hepatic disposition, were built to describe pharmacokinetics and evaluate drug interactions. Permeability-limited model successfully predicted glyburide interactions with rifampicin and other perpetrator drugs. Conversely, model assuming rapid-equilibrium mispredicted glyburide interactions, overall, suggesting hepatic uptake as the primary rate-determining process in the systemic clearance of glyburide. Further modeling and simulations indicated that the impairment of CYP2C9 function has a minimal effect on the systemic exposure, implying discrepancy in the contribution of CYP2C9 to glyburide clearance.

Estimating permeability from quasi-static deformation: Temporal variations and arrival time inversion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vasco, D.W.; Ferretti, Alessandro; Novali, Fabrizio

2008-05-01

Transient pressure variations within a reservoir can be treated as a propagating front and analyzed using an asymptotic formulation. From this perspective one can define a pressure 'arrival time' and formulate solutions along trajectories, in the manner of ray theory. We combine this methodology and a technique for mapping overburden deformation into reservoir volume change as a means to estimate reservoir flow properties, such as permeability. Given the entire 'travel time' or phase field, obtained from the deformation data, we can construct the trajectories directly, there-by linearizing the inverse problem. A numerical study indicates that, using this approach, we canmore » infer large-scale variations in flow properties. In an application to Interferometric Synthetic Aperture (InSAR) observations associated with a CO{sub 2} injection at the Krechba field, Algeria, we image pressure propagation to the northwest. An inversion for flow properties indicates a linear trend of high permeability. The high permeability correlates with a northwest trending fault on the flank of the anticline which defines the field.« less

Permeability estimations and frictional flow features passing through porous media comprised of structured microbeads

NASA Astrophysics Data System (ADS)

Shin, C.

2017-12-01

Permeability estimation has been extensively researched in diverse fields; however, methods that suitably consider varying geometries and changes within the flow region, for example, hydraulic fracture closing for several years, are yet to be developed. Therefore, in the present study a new permeability estimation method is presented based on the generalized Darcy's friction flow relation, in particular, by examining frictional flow parameters and characteristics of their variations. For this examination, computational fluid dynamics (CFD) simulations of simple hydraulic fractures filled with five layers of structured microbeads and accompanied by geometry changes and flow transitions are performed. Consequently, it was checked whether the main structures and shapes of each flow path are preserved, even for geometry variations within porous media. However, the scarcity and discontinuity of streamlines increase dramatically in the transient- and turbulent-flow regions. The quantitative and analytic examinations of the frictional flow features were also performed. Accordingly, the modified frictional flow parameters were successfully presented as similarity parameters of porous flows. In conclusion, the generalized Darcy's friction flow relation and friction equivalent permeability (FEP) equation were both modified using the similarity parameters. For verification, the FEP values of the other aperture models were estimated and then it was checked whether they agreed well with the original permeability values. Ultimately, the proposed and verified method is expected to efficiently estimate permeability variations in porous media with changing geometric factors and flow regions, including such instances as hydraulic fracture closings.

Evaluation of the use of partition coefficients and molecular surface properties as predictors of drug absorption: a provisional biopharmaceutical classification of the list of national essential medicines of Pakistan

PubMed Central

Shawahna, R.; Rahman, NU.

2011-01-01

Background and the purpose of the study Partition coefficients (log D and log P) and molecular surface area (PSA) are potential predictors of the intestinal permeability of drugs. The aim of this investigation was to evaluate and compare these intestinal permeability indicators. Methods Aqueous solubility data were obtained from literature or calculated using ACD/Labs and ALOGPS. Permeability data were predicted based on log P, log D at pH 6.0 (log D6.0), and PSA. Results Metoprolol's log P, log D6.0, and a PSA of <65 Å correctly predicted 55.9%, 50.8% and 54.2% of permeability classes, respectively. Labetalol's log P, log D6.0 and PSA correctly predicted 54.2%, 64.4% and 61% of permeability classes, respectively. Log D6.0 correlated well (81%) with Caco-2 permeability (Papp). Of the list of national essential medicines, 135 orally administered drugs were classified into biopharmaceutical classification system (BCS). Of these, 57 (42.2%), 28 (20.7%), 44 (32.6%), and 6 (4.4%) were class I, II, III and IV respectively. Conclusion Log D6.0 showed better prediction capability than log P. Metoprolol as permeability internal standard was more conservative than labetalol. PMID:22615645

Artificial Lipid Membrane Permeability Method for Predicting Intestinal Drug Transport: Probing the Determining Step in the Oral Absorption of Sulfadiazine; Influence of the Formation of Binary and Ternary Complexes with Cyclodextrins.

PubMed

Delrivo, Alicia; Aloisio, Carolina; Longhi, Marcela R; Granero, Gladys

2018-04-01

We propose an in vitro permeability assay by using a modified lipid membrane to predict the in vivo intestinal passive permeability of drugs. Two conditions were tested, one with a gradient pH (pH 5.5 donor/pH 7.4 receptor) and the other with an iso-pH 7.4. The predictability of the method was established by correlating the obtained apparent intestinal permeability coefficients (P app ) and the oral dose fraction absorbed in humans (f a ) of 16 drugs with different absorption properties. The P app values correlated well with the absorption rates under the two conditions, and the method showed high predictability and good reproducibility. On the other hand, with this method, we successfully predicted the transport characteristics of oral sulfadiazine (SDZ). Also, the tradeoff between the increase in the solubility of SDZ by its complex formation with cyclodextrins and/or aminoacids and its oral permeability was assessed. Results suggest that SDZ is transported through the gastrointestinal epithelium by passive diffusion in a pH-dependent manner. These results support the classification of SDZ as a high/low borderline permeability compound and are in agreement with the Biopharmaceutics Classification Systems (BCS). This conclusion is consistent with the in vivo pharmacokinetic properties of SDZ.

Improved Prediction of Blood-Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints.

PubMed

Yuan, Yaxia; Zheng, Fang; Zhan, Chang-Guo

2018-03-21

Blood-brain barrier (BBB) permeability of a compound determines whether the compound can effectively enter the brain. It is an essential property which must be accounted for in drug discovery with a target in the brain. Several computational methods have been used to predict the BBB permeability. In particular, support vector machine (SVM), which is a kernel-based machine learning method, has been used popularly in this field. For SVM training and prediction, the compounds are characterized by molecular descriptors. Some SVM models were based on the use of molecular property-based descriptors (including 1D, 2D, and 3D descriptors) or fragment-based descriptors (known as the fingerprints of a molecule). The selection of descriptors is critical for the performance of a SVM model. In this study, we aimed to develop a generally applicable new SVM model by combining all of the features of the molecular property-based descriptors and fingerprints to improve the accuracy for the BBB permeability prediction. The results indicate that our SVM model has improved accuracy compared to the currently available models of the BBB permeability prediction.

Determination of forces in a magnetic bearing actuator - Numerical computation with comparison to experiment

NASA Technical Reports Server (NTRS)

Knight, J. D.; Xia, Z.; Mccaul, E.; Hacker, H., Jr.

1992-01-01

Calculations of the forces exerted on a journal by a magnetic bearing actuator are presented, along with comparisons to experimentally measured forces. The calculations are based on two-dimensional solutions for the flux distribution in the metal parts and free space, using finite but constant permeability in the metals. Above a relative permeability of 10,000 the effects of changes in permeability are negligible, but below 10,000 decreases in permeability cause significant decreases in the force. The calculated forces are shown to depend on the metal permeability more strongly when the journal is displaced from its centered position. The predicted forces in the principal attractive direction are in good agreement with experiment when a relatively low value of permeability is chosen. The forces measured normal to the axis of symmetry when the journal is displaced from that axis, however, are significantly higher than predicted by theory, even with a value of relative permeability larger than 5000. These results indicate a need for further work including nonlinear permeability distributions.

Mechanisms by which thrombolytic therapy results in nonuniform lysis and residual thrombus after reperfusion.

PubMed

Anand, S; Kudallur, V; Pitman, E B; Diamond, S L

1997-01-01

A transport-reaction model describing penetration of plasmin by diffusion and permeation into a dissolving fibrin gel was solved numerically to explore mechanisms that lead to the formation and growth of dissolution fingers through blood clots during thrombolytic therapy. Under conditions of fluid permeation driven by arterial pressures, small random spatial variations in the initial fibrin density within clots (+/-4 to 25% peak variations) were predicted by the simulation to result in dramatic dissolution fingers that grew in time. With in vitro experiments, video microscopy revealed that the shape of the proximal face of a fibrin gel, when deformed by pressure-driven permeation, led to lytic breakthrough in the center of the clot, consistent with model predictions of increased velocities in this region leading to cannulation. Computer simulation of lysis of fibrin retracted by platelets (where more permeable regions are expected in the middle of the clot due to retraction) predicted cannulation of the clot during thrombolysis. This residual, annular thrombus was predicted to lyse more slowly, because radial pressure gradients to drive inner clot permeation were quite small. In conjunction with kinetic models of systemic pharmacodynamics and plasminogen activation biochemistry, a two-dimensional transport-reaction model can facilitate the prediction of the time and causes of clot cannulation, poor reperfusion, and embolism during thrombolysis.

Convective mixing in vertically-layered porous media: The linear regime and the onset of convection

NASA Astrophysics Data System (ADS)

Ghorbani, Zohreh; Riaz, Amir; Daniel, Don

2017-08-01

We study the effect of permeability heterogeneity on the stability of gravitationally unstable, transient, diffusive boundary layers in porous media. Permeability is taken to vary periodically in the horizontal plane normal to the direction of gravity. In contrast to the situation for vertical permeability variation, the horizontal perturbation structures are multimodal. We therefore use a two-dimensional quasi-steady eigenvalue analysis as well as a complementary initial value problem to investigate the stability behavior in the linear regime, until the onset of convection. We find that thick permeability layers enhance instability compared with thin layers when heterogeneity is increased. On the contrary, for thin layers the instability is weakened progressively with increasing heterogeneity to the extent that the corresponding homogeneous case is more unstable. For high levels of heterogeneity, we find that a small change in the permeability field results in large variations in the onset time of convection, similar to the instability event in the linear regime. However, this trend does not persist unconditionally because of the reorientation of vorticity pairs due to the interaction of evolving perturbation structures with heterogeneity. Consequently, an earlier onset of instability does not necessarily imply an earlier onset of convection. A resonant amplification of instability is observed within the linear regime when the dominant perturbation mode is equal to half the wavenumber of permeability variation. On the other hand, a substantial damping occurs when the perturbation mode is equal to the harmonic and sub-harmonic components of the permeability wavenumber. The phenomenon of such harmonic interactions influences both the onset of instability as well as the onset of convection.

Convective mixing in vertically-layered porous media: The linear regime and the onset of convection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghorbani, Zohreh; Riaz, Amir; Daniel, Don

In this paper, we study the effect of permeability heterogeneity on the stability of gravitationally unstable, transient, diffusive boundary layers in porous media. Permeability is taken to vary periodically in the horizontal plane normal to the direction of gravity. In contrast to the situation for vertical permeability variation, the horizontal perturbation structures are multimodal. We therefore use a two-dimensional quasi-steady eigenvalue analysis as well as a complementary initial value problem to investigate the stability behavior in the linear regime, until the onset of convection. We find that thick permeability layers enhance instability compared with thin layers when heterogeneity is increased.more » On the contrary, for thin layers the instability is weakened progressively with increasing heterogeneity to the extent that the corresponding homogeneous case is more unstable. For high levels of heterogeneity, we find that a small change in the permeability field results in large variations in the onset time of convection, similar to the instability event in the linear regime. However, this trend does not persist unconditionally because of the reorientation of vorticity pairs due to the interaction of evolving perturbation structures with heterogeneity. Consequently, an earlier onset of instability does not necessarily imply an earlier onset of convection. A resonant amplification of instability is observed within the linear regime when the dominant perturbation mode is equal to half the wavenumber of permeability variation. On the other hand, a substantial damping occurs when the perturbation mode is equal to the harmonic and sub-harmonic components of the permeability wavenumber. Finally, the phenomenon of such harmonic interactions influences both the onset of instability as well as the onset of convection.« less

Convective mixing in vertically-layered porous media: The linear regime and the onset of convection

DOE PAGES

Ghorbani, Zohreh; Riaz, Amir; Daniel, Don

2017-08-02

In this paper, we study the effect of permeability heterogeneity on the stability of gravitationally unstable, transient, diffusive boundary layers in porous media. Permeability is taken to vary periodically in the horizontal plane normal to the direction of gravity. In contrast to the situation for vertical permeability variation, the horizontal perturbation structures are multimodal. We therefore use a two-dimensional quasi-steady eigenvalue analysis as well as a complementary initial value problem to investigate the stability behavior in the linear regime, until the onset of convection. We find that thick permeability layers enhance instability compared with thin layers when heterogeneity is increased.more » On the contrary, for thin layers the instability is weakened progressively with increasing heterogeneity to the extent that the corresponding homogeneous case is more unstable. For high levels of heterogeneity, we find that a small change in the permeability field results in large variations in the onset time of convection, similar to the instability event in the linear regime. However, this trend does not persist unconditionally because of the reorientation of vorticity pairs due to the interaction of evolving perturbation structures with heterogeneity. Consequently, an earlier onset of instability does not necessarily imply an earlier onset of convection. A resonant amplification of instability is observed within the linear regime when the dominant perturbation mode is equal to half the wavenumber of permeability variation. On the other hand, a substantial damping occurs when the perturbation mode is equal to the harmonic and sub-harmonic components of the permeability wavenumber. Finally, the phenomenon of such harmonic interactions influences both the onset of instability as well as the onset of convection.« less

Effective Stress Law in Unconventional Reservoirs under Different Boundary Conditions

NASA Astrophysics Data System (ADS)

Saurabh, S.; Harpalani, S.

2017-12-01

Unconventional reservoirs have attracted a great deal of research interest worldwide during the past two decades. Low permeability and specialized techniques required to exploit these resources present opportunities for improvement in both production rates and ultimate recovery. Understanding subsurface stress modifications and permeability evolution are valuable when evaluating the prospects of unconventional reservoirs. These reservoir properties are functions of effective stress. As a part of this study, effective stress law, specifically the variation of anisotropic Biot's coefficient under various boundary conditions believed to exist in gas reservoirs by different researchers, has been established. Pressure-dependent-permeability (PdK) experiments were carried out on San Juan coal under different boundary conditions, that is, uniaxial strain condition and constant volume condition. Stress and strain in the vertical and horizontal directions were monitored throughout the experiment. Data collected during the experiments was used to determine the Biot's coefficient in vertical and horizontal directions under these two boundary conditions, treating coal as transversely isotropic. The variation of Biot's coefficient was found to be well correlated with the variation in coal permeability. Based on the estimated values of Biot's coefficients, a theory of variation in its value is presented for other boundary conditions. The findings of the study shed light on the inherent behavior of Biot's coefficient under different reservoir boundary conditions. This knowledge can improve the modeling work requiring estimation of effective stress in reservoirs, such as, pressure-/stress- dependent permeability. At the same time, if the effective stresses are known with more certainty by other methods, it enables assessment of the unknown reservoir boundary conditions.

Darcy Permeability of Hollow Fiber Membrane Bundles Made from Membrana Polymethylpentene Fibers Used in Respiratory Assist Devices.

PubMed

Madhani, Shalv P; D'Aloiso, Brandon D; Frankowski, Brian; Federspiel, William J

2016-01-01

Hollow fiber membranes (HFMs) are used in blood oxygenators for cardiopulmonary bypass or in next generation artificial lungs. Flow analyses of these devices is typically done using computational fluid dynamics (CFD) modeling HFM bundles as porous media, using a Darcy permeability coefficient estimated from the Blake-Kozeny (BK) equation to account for viscous drag from fibers. We recently published how well this approach can predict Darcy permeability for fiber bundles made from polypropylene HFMs, showing the prediction can be significantly improved using an experimentally derived correlation between the BK constant (A) and bundle porosity (ε). In this study, we assessed how well our correlation for A worked for predicting the Darcy permeability of fiber bundles made from Membrana polymethylpentene (PMP) HFMs, which are increasingly being used clinically. Swatches in the porosity range of 0.4 to 0.8 were assessed in which sheets of fiber were stacked in parallel, perpendicular, and angled configurations. Our previously published correlation predicted Darcy within ±8%. A new correlation based on current and past measured permeability was determined: A = 497ε - 103; using this correlation measured Darcy permeability was within ±6%. This correlation varied from 8% to -3.5% of our prior correlation over the tested porosity range.

Darcy permeability of hollow fiber membrane bundles made from Membrana® Polymethylpentene (PMP) fibers used in respiratory assist devices

PubMed Central

Madhani, Shalv. P.; D’Aloiso, Brandon. D.; Frankowski, Brian.; Federspiel, William. J.

2016-01-01

Hollow fiber membranes (HFMs) are used in blood oxygenators for cardiopulmonary bypass or in next generation artificial lungs. Flow analyses of these devices is typically done using computational fluid dynamics (CFD) modeling HFM bundles as porous media, using a Darcy permeability coefficient estimated from the Blake – Kozeny (BK) equation to account for viscous drag from fibers. We recently published how well this approach can predict Darcy permeability for fiber bundles made from polypropylene HFMs, showing the prediction can be significantly improved using an experimentally derived correlation between the BK constant (A) and bundle porosity (ε). In this study, we assessed how well our correlation for A worked for predicting the Darcy permeability of fiber bundles made from Membrana® polymethylpentene (PMP) HFMs, which are increasingly being used clinically. Swatches in the porosity range of 0.4 to 0.8 were assessed in which sheets of fiber were stacked in parallel, perpendicular and angled configurations. Our previously published correlation predicted Darcy within ±8%. A new correlation based on current and past measured permeability was determined: A=497ε-103; using this correlation measured Darcy permeability was within ±6%. This correlation varied from 8% to −3.5% of our prior correlation over the tested porosity range. PMID:26809086

Darcy Permeability of Hollow Fiber Bundles Used in Blood Oxygenation Devices

PubMed Central

Pacella, Heather E.; Eash, Heidi J.; Federspiel, William J.

2011-01-01

Many industrial and biomedical devices (e.g. blood oxygenators and artificial lungs) use bundles of hollow fiber membranes for separation processes. Analyses of flow and mass transport within the shell-side of the fiber bundles most often model the bundle for simplicity as a packed bed or porous media, using a Darcy permeability coefficient estimated from the Blake-Kozeny equation to account for viscous drag from the fibers. In this study, we developed a simple method for measuring the Darcy permeability of hollow fiber membrane bundles and evaluated how well the Blake-Kozeny (BK) equation predicted the Darcy permeability for these bundles. Fiber bundles were fabricated from commercially available Celgard® ×30-240 fiber fabric (300 μm outer diameter fibers @ 35 and 54 fibers/inch) and from a fiber fabric with 193 μm fibers (61 fibers/inch). The fiber bundles were mounted to the bottom of an acrylic tube and Darcy permeability was determined by measuring the elapsed time for a column of glycerol solution to flow through a fiber bundle. The ratio of the measured Darcy permeability to that predicted from the BK equation varied from 1.09 to 0.56. A comprehensive literature review suggested a modified BK equation with the “constant” correlated to porosity. This modification improved the predictions of the BK equation, with the ratio of measured to predicted permeability varying from 1.13 to 0.84. PMID:22927706

Permeability Sensitivity Functions and Rapid Simulation of Hydraulic-Testing Measurements Using Perturbation Theory

NASA Astrophysics Data System (ADS)

Escobar Gómez, J. D.; Torres-Verdín, C.

2018-03-01

Single-well pressure-diffusion simulators enable improved quantitative understanding of hydraulic-testing measurements in the presence of arbitrary spatial variations of rock properties. Simulators of this type implement robust numerical algorithms which are often computationally expensive, thereby making the solution of the forward modeling problem onerous and inefficient. We introduce a time-domain perturbation theory for anisotropic permeable media to efficiently and accurately approximate the transient pressure response of spatially complex aquifers. Although theoretically valid for any spatially dependent rock/fluid property, our single-phase flow study emphasizes arbitrary spatial variations of permeability and anisotropy, which constitute key objectives of hydraulic-testing operations. Contrary to time-honored techniques, the perturbation method invokes pressure-flow deconvolution to compute the background medium's permeability sensitivity function (PSF) with a single numerical simulation run. Subsequently, the first-order term of the perturbed solution is obtained by solving an integral equation that weighs the spatial variations of permeability with the spatial-dependent and time-dependent PSF. Finally, discrete convolution transforms the constant-flow approximation to arbitrary multirate conditions. Multidimensional numerical simulation studies for a wide range of single-well field conditions indicate that perturbed solutions can be computed in less than a few CPU seconds with relative errors in pressure of <5%, corresponding to perturbations in background permeability of up to two orders of magnitude. Our work confirms that the proposed joint perturbation-convolution (JPC) method is an efficient alternative to analytical and numerical solutions for accurate modeling of pressure-diffusion phenomena induced by Neumann or Dirichlet boundary conditions.

Scale effect and value criterion of the permeability of the interlayer staggered zones in the basalt of Jinsha River basin, China

NASA Astrophysics Data System (ADS)

Zhou, Zhifang; Lin, Mu; Guo, Qiaona; Chen, Meng

2018-05-01

The hydrogeological characteristics of structural planes are different to those of the associated bedrock. The permeability, and therefore hydraulic conductivity (K), of a structural plane can be significantly different at different scales. The interlayer staggered zones in the Emeishan Basalt of early Late Permian were studied; this formation is located in the Baihetan hydropower project area in Jinsha River Basin, China. The seepage flow distribution of a solid model and two generalized models (A and B) were computed using COMSOL. The K values of the interlayer staggered zones for all three models were calculated by both simulation and analytical methods. The results show that the calculated K results of the generalized models can reflect the variation trend of permeability in each section of the solid model, and the approximate analytical calculation of K can be taken into account in the calculation of K in the generalized models instead of that found by simulation. Further studies are needed to investigate permeability variation in the interlayer staggered zones under the condition of different scales, considering the scaling variation in each section of an interlayer staggered zone. The permeability of each section of an interlayer staggered zone presents a certain degree of dispersivity at small scales; however, the permeability values tends to converge to a similar value as the scale of each section increases. The regularity of each section of the interlayer staggered zones under the condition of different scales can provide a scientific basis for reasonable selection of different engineering options.

Prediction of blood-brain partitioning: a model based on molecular electronegativity distance vector descriptors.

PubMed

Zhang, Yong-Hong; Xia, Zhi-Ning; Qin, Li-Tang; Liu, Shu-Shen

2010-09-01

The objective of this paper is to build a reliable model based on the molecular electronegativity distance vector (MEDV) descriptors for predicting the blood-brain barrier (BBB) permeability and to reveal the effects of the molecular structural segments on the BBB permeability. Using 70 structurally diverse compounds, the partial least squares regression (PLSR) models between the BBB permeability and the MEDV descriptors were developed and validated by the variable selection and modeling based on prediction (VSMP) technique. The estimation ability, stability, and predictive power of a model are evaluated by the estimated correlation coefficient (r), leave-one-out (LOO) cross-validation correlation coefficient (q), and predictive correlation coefficient (R(p)). It has been found that PLSR model has good quality, r=0.9202, q=0.7956, and R(p)=0.6649 for M1 model based on the training set of 57 samples. To search the most important structural factors affecting the BBB permeability of compounds, we performed the values of the variable importance in projection (VIP) analysis for MEDV descriptors. It was found that some structural fragments in compounds, such as -CH(3), -CH(2)-, =CH-, =C, triple bond C-, -CH<, =C<, =N-, -NH-, =O, and -OH, are the most important factors affecting the BBB permeability. (c) 2010. Published by Elsevier Inc.

Petrophysics of low-permeability medina sandstone, northwestern Pennsylvania, Appalachian Basin

USGS Publications Warehouse

Castle, J.W.; Byrnes, A.P.

1998-01-01

Petrophysical core testing combined with geophysical log analysis of low-permeability, Lower Silurian sandstones of the Appalachian basin provides guidelines and equations for predicting gas producibility. Permeability values are predictable from the borehole logs by applying empirically derived equations based on correlation between in-situ porosity and in-situ effective gas permeability. An Archie-form equation provides reasonable accuracy of log-derived water saturations because of saturated brine salinities and low clay content in the sands. Although measured porosity and permeability average less than 6% and 0.1 mD, infrequent values as high as 18% and 1,048 mD occur. Values of effective gas permeability at irreducible water saturation (Swi) range from 60% to 99% of routine values for the highest permeability rocks to several orders of magnitude less for the lowest permeability rocks. Sandstones having porosity greater than 6% and effective gas permeability greater than 0.01 mD exhibit Swi less than 20%. With decreasing porosity, Swi sharply increases to values near 40% at 3 porosity%. Analysis of cumulative storage and flow capacity indicates zones with porosity greater than 6% generally contain over 90% of flow capacity and hold a major portion of storage capacity. For rocks with Swi < 20%, gas relative permeabilities exceed 45%. Gas relative permeability and hydrocarbon volume decrease rapidly with increasing Swi as porosity drops below 6%. At Swi above 40%, gas relative permeabilities are less than approximately 10%.

Multi-center prediction of hemorrhagic transformation in acute ischemic stroke using permeability imaging features.

PubMed

Scalzo, Fabien; Alger, Jeffry R; Hu, Xiao; Saver, Jeffrey L; Dani, Krishna A; Muir, Keith W; Demchuk, Andrew M; Coutts, Shelagh B; Luby, Marie; Warach, Steven; Liebeskind, David S

2013-07-01

Permeability images derived from magnetic resonance (MR) perfusion images are sensitive to blood-brain barrier derangement of the brain tissue and have been shown to correlate with subsequent development of hemorrhagic transformation (HT) in acute ischemic stroke. This paper presents a multi-center retrospective study that evaluates the predictive power in terms of HT of six permeability MRI measures including contrast slope (CS), final contrast (FC), maximum peak bolus concentration (MPB), peak bolus area (PB), relative recirculation (rR), and percentage recovery (%R). Dynamic T2*-weighted perfusion MR images were collected from 263 acute ischemic stroke patients from four medical centers. An essential aspect of this study is to exploit a classifier-based framework to automatically identify predictive patterns in the overall intensity distribution of the permeability maps. The model is based on normalized intensity histograms that are used as input features to the predictive model. Linear and nonlinear predictive models are evaluated using a cross-validation to measure generalization power on new patients and a comparative analysis is provided for the different types of parameters. Results demonstrate that perfusion imaging in acute ischemic stroke can predict HT with an average accuracy of more than 85% using a predictive model based on a nonlinear regression model. Results also indicate that the permeability feature based on the percentage of recovery performs significantly better than the other features. This novel model may be used to refine treatment decisions in acute stroke. Copyright © 2013 Elsevier Inc. All rights reserved.

Corneal and conjunctival drug permeability: Systematic comparison and pharmacokinetic impact in the eye.

PubMed

Ramsay, Eva; Del Amo, Eva M; Toropainen, Elisa; Tengvall-Unadike, Unni; Ranta, Veli-Pekka; Urtti, Arto; Ruponen, Marika

2018-07-01

On the surface of the eye, both the cornea and conjunctiva are restricting ocular absorption of topically applied drugs, but barrier contributions of these two membranes have not been systemically compared. Herein, we studied permeability of 32 small molecular drug compounds across an isolated porcine cornea and built a quantitative structure-property relationship (QSPR) model for the permeability. Corneal drug permeability (data obtained for 25 drug molecules) showed a 52-fold range in permeability (0.09-4.70 × 10 -6  cm/s) and the most important molecular descriptors in predicting the permeability were hydrogen bond donor, polar surface area and halogen ratio. Corneal permeability values were compared to their conjunctival drug permeability values. Ocular drug bioavailability and systemic absorption via conjunctiva were predicted for this drug set with pharmacokinetic calculations. Drug bioavailability in the aqueous humour was simulated to be <5% and trans-conjunctival systemic absorption was 34-79% of the dose. Loss of drug across the conjunctiva to the blood circulation restricts significantly ocular drug bioavailability and, therefore, ocular absorption does not increase proportionally with the increasing corneal drug permeability. Copyright © 2018 Elsevier B.V. All rights reserved.

A MODEL FOR FISSION-GAS RELEASE FROM POROUS FUELS IN LOW-PERMEABILITY CONTAINERS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prados, J.W.

1961-08-25

A simple mathematical model was developed to describe the steady-state release rate of gaseous fission products from porous ceramic fuels in low- permeability containers. The resulting equations are used to analyze experimental release rate results obtained from a UC/sub 2/-fueled graphite fuel body enclosed in a low-permeability impregnated graphite container. The relative release rates of the fission-product species Kr/sup 85m/, Kr/sup 88/, and Xe/sup 133/ were predicted with reasonable success. Absolute-rate predictions were not possible due to lack of information on true permeability and porosity profiles in the graphite container. (auth)

Experimental Permeability Measurements on a Strut-Supported Transpiration-Cooled Turbine Blade with Stainless-Steel Shell made by the Federal-Mogul Corporation under Bureau of Aeronautics Contract N0as 51613-C

NASA Technical Reports Server (NTRS)

Richards, Hadley T.

1954-01-01

A turbine blade with a porous stainless-steel shell sintered to a supporting steel strut has been fabricated for tests at the NACA by Federal-Mogul Corporation under contract from the Bureau of Aeronautics, Department of the Navy. The apparent permeability of this blade, on the average, more nearly approaches the values specified by the NAGA than did two strut-supported bronze blades in a previous investigation. Random variations of permeability in the present blade are substantialy greater than those of the bronze blades, but projected improvements in certain phases of the fabrication process are expected to reduce these variations.

A Fractal Permeability Model for Shale Oil Reservoir

NASA Astrophysics Data System (ADS)

Zhang, Tao; Dong, Mingzhe; Li, Yajun

2018-01-01

In this work, a fractal analytical model is proposed to predict the permeability of shale reservoir. The proposed model explicitly relates the permeability to the micro-structural parameters (tortuosity, pore area fractal dimensions, porosity and slip velocity coefficient) of shale.

Pore-scale simulation of liquid CO2 displacement of water using a two-phase lattice Boltzmann model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Haihu; Valocchi, Albert J.; Werth, Charles J.

A lattice Boltzmann color-fluid model, which was recently proposed by Liu et al. [H. Liu, A.J. Valocchi, and Q. Kang. Three-dimensional lattice Boltzmann model for immiscible two-phase flow simulations. Phys. Rev. E, 85:046309, 2012.] based on a concept of continuum surface force, is improved to simulate immiscible two-phase flows in porous media. The new improvements allow the model to account for different kinematic viscosities of both fluids and to model fluid-solid interactions. The capability and accuracy of this model is first validated by two benchmark tests: a layered two-phase flow with a viscosity ratio, and a dynamic capillary intrusion. Thismore » model is then used to simulate liquid CO2 (LCO2) displacing water in a dual-permeability pore network. The extent and behavior of LCO2 preferential flow (i.e., fingering) is found to depend on the capillary number (Ca), and three different displacement patterns observed in previous micromodel experiments are reproduced. The predicted variation of LCO2 saturation with Ca, as well as variation of specific interfacial length with LCO2 saturation, are both in good agreement with the experimental observations. To understand the effect of heterogeneity on pore-scale displacement, we also simulate LCO2 displacing water in a randomly heterogeneous pore network, which has the same size and porosity as the dual-permeability pore network. In comparison to the dual-permeability case, the transition from capillary fingering to viscous fingering occurs at a higher Ca, and LCO2 saturation is higher at low Ca but lower at high Ca. In either pore network, the LCO2-water specific interfacial length is found to obey a power-law dependence on LCO2 saturation.« less

Numerical and Permeability Constraints on Simulation of Sill-Driven Hydrothermal Convection

NASA Astrophysics Data System (ADS)

Carr, P. M.; Cathles, L. M.; Barrie, C. T.; Manhardt, P.

2004-05-01

Volcanic-associated massive sulfide deposits are formed where seawater, heated to ~350oC by subsurface magma intrusions, is quenched by cold water at or near the seafloor. Many VMS districts, like the one at Matagami, Quebec, contain their zinc, lead, and copper in about a dozen discrete ore bodies, with one or two deposits containing more than half of the district's resources. We construct numerical models to investigate the causes of variations in deposit size. These models show that a process which stabilizes the location of hydrothermal venting plumes is required to numerically generate discrete VMS ore bodies by sill-driven hydrothermal convection. This is achieved in our models by increasing rock permeability in a fashion that makes vent plumes more permeable than their surroundings. Maintaining the Courant number ≤1 (so that a thermal anomaly traverses only one grid cell in one timestep of the simulation) is shown to be crucial to numerical convergence. If this rule is violated, visually compelling but incorrect hydrothermal vents result. Small hydrothermal convection cells over the interior of an areally-extensive sill with a tabular edge are smaller than those formed at the sill edge. However, for a sill with the geometry of that at Matagami, numerical simulations indicate that large ore deposits should form near the thickest part of the sill where metals extracted from the underside of the still-hot portions of the sill can optimally contribute. Thus it is essential to construct a model of the entire domain rather than slicing a portion local to the deposition. The numerical models replicate the ten-fold range in deposit size variation, and predict the largest deposits at Matagami will be discovered at 5 to 8 km depth between currently known deposits in the South Flank and Phelps Dodge areas.

Analysis of dispersion and attenuation of surface waves in poroelastic media in the exploration-seismic frequency band

USGS Publications Warehouse

Zhang, Y.; Xu, Y.; Xia, J.

2011-01-01

We analyse dispersion and attenuation of surface waves at free surfaces of possible vacuum/poroelastic media: permeable-'open pore', impermeable-'closed pore' and partially permeable boundaries, which have not been previously reported in detail by researchers, under different surface-permeable, viscous-damping, elastic and fluid-flowing conditions. Our discussion is focused on their characteristics in the exploration-seismic frequency band (a few through 200 Hz) for near-surface applications. We find two surface-wave modes exist, R1 waves for all conditions, and R2 waves for closed-pore and partially permeable conditions. For R1 waves, velocities disperse most under partially permeable conditions and least under the open-pore condition. High-coupling damping coefficients move the main dispersion frequency range to high frequencies. There is an f1 frequency dependence as a constant-Q model for attenuation at high frequencies. R1 waves for the open pore are most sensitive to elastic modulus variation, but least sensitive to tortuosities variation. R1 waves for partially permeable surface radiate as non-physical waves (Im(k) < 0) at low frequencies. For R2 waves, velocities are slightly lower than the bulk slow P2 waves. At low frequencies, both velocity and attenuation are diffusive of f1/2 frequency dependence, as P2 waves. It is found that for partially permeable surfaces, the attenuation displays -f1 frequency dependence as frequency increasing. High surface permeability, low-coupling damping coefficients, low Poisson's ratios, and low tortuosities increase the slope of the -f1 dependence. When the attenuation coefficients reach 0, R2 waves for partially permeable surface begin to radiate as non-physical waves. ?? 2011 The Authors Geophysical Journal International ?? 2011 RAS.

Modeling and Prediction of Solvent Effect on Human Skin Permeability using Support Vector Regression and Random Forest.

PubMed

Baba, Hiromi; Takahara, Jun-ichi; Yamashita, Fumiyoshi; Hashida, Mitsuru

2015-11-01

The solvent effect on skin permeability is important for assessing the effectiveness and toxicological risk of new dermatological formulations in pharmaceuticals and cosmetics development. The solvent effect occurs by diverse mechanisms, which could be elucidated by efficient and reliable prediction models. However, such prediction models have been hampered by the small variety of permeants and mixture components archived in databases and by low predictive performance. Here, we propose a solution to both problems. We first compiled a novel large database of 412 samples from 261 structurally diverse permeants and 31 solvents reported in the literature. The data were carefully screened to ensure their collection under consistent experimental conditions. To construct a high-performance predictive model, we then applied support vector regression (SVR) and random forest (RF) with greedy stepwise descriptor selection to our database. The models were internally and externally validated. The SVR achieved higher performance statistics than RF. The (externally validated) determination coefficient, root mean square error, and mean absolute error of SVR were 0.899, 0.351, and 0.268, respectively. Moreover, because all descriptors are fully computational, our method can predict as-yet unsynthesized compounds. Our high-performance prediction model offers an attractive alternative to permeability experiments for pharmaceutical and cosmetic candidate screening and optimizing skin-permeable topical formulations.

How Sensitive Are Transdermal Transport Predictions by Microscopic Stratum Corneum Models to Geometric and Transport Parameter Input?

PubMed

Wen, Jessica; Koo, Soh Myoung; Lape, Nancy

2018-02-01

While predictive models of transdermal transport have the potential to reduce human and animal testing, microscopic stratum corneum (SC) model output is highly dependent on idealized SC geometry, transport pathway (transcellular vs. intercellular), and penetrant transport parameters (e.g., compound diffusivity in lipids). Most microscopic models are limited to a simple rectangular brick-and-mortar SC geometry and do not account for variability across delivery sites, hydration levels, and populations. In addition, these models rely on transport parameters obtained from pure theory, parameter fitting to match in vivo experiments, and time-intensive diffusion experiments for each compound. In this work, we develop a microscopic finite element model that allows us to probe model sensitivity to variations in geometry, transport pathway, and hydration level. Given the dearth of experimentally-validated transport data and the wide range in theoretically-predicted transport parameters, we examine the model's response to a variety of transport parameters reported in the literature. Results show that model predictions are strongly dependent on all aforementioned variations, resulting in order-of-magnitude differences in lag times and permeabilities for distinct structure, hydration, and parameter combinations. This work demonstrates that universally predictive models cannot fully succeed without employing experimentally verified transport parameters and individualized SC structures. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Effect of the pulmonary deposition and in vitro permeability on the prediction of plasma levels of inhaled budesonide formulation.

PubMed

Salar-Behzadi, Sharareh; Wu, Shengqian; Mercuri, Annalisa; Meindl, Claudia; Stranzinger, Sandra; Fröhlich, Eleonore

2017-10-30

The growing interest in the inhalable pharmaceutical products requires advanced approaches to safe and fast product development, such as in silico tools that can be used for estimating the bioavailability and toxicity of developed formulation. GastroPlus™ is one of the few available software packages for in silico simulation of PBPK profile of inhalable products. It contains a complementary module for calculating the lung deposition, the permeability and the systemic absorption of inhalable products. Experimental values of lung deposition and permeability can also be used. This study aims to assess the efficiency of simulation by applying experimental permeability and deposition values, using budesonide as a model substance. The lung deposition values were obtained from the literature, the lung permeability data were experimentally determined by culturing Calu-3 cells under air-liquid interface and submersed conditions to morphologically resemble bronchial and alveolar epithelial cells, respectively. A two-compartment PK model was created for i.v. administration and used as a background for the in silico simulation of the plasma profile of budesonide after inhalation. The predicted plasma profile was compared with the in vivo data from the literature and the effects of experimental lung deposition and permeability on prediction were assessed. The developed model was significantly improved by using realistic lung deposition data combined with experimental data for peripheral permeability. Copyright © 2017 Elsevier B.V. All rights reserved.

Predicting permeability of regular tissue engineering scaffolds: scaling analysis of pore architecture, scaffold length, and fluid flow rate effects.

PubMed

Rahbari, A; Montazerian, H; Davoodi, E; Homayoonfar, S

2017-02-01

The main aim of this research is to numerically obtain the permeability coefficient in the cylindrical scaffolds. For this purpose, a mathematical analysis was performed to derive an equation for desired porosity in terms of morphological parameters. Then, the considered cylindrical geometries were modeled and the permeability coefficient was calculated according to the velocity and pressure drop values based on the Darcy's law. In order to validate the accuracy of the present numerical solution, the obtained permeability coefficient was compared with the published experimental data. It was observed that this model can predict permeability with the utmost accuracy. Then, the effect of geometrical parameters including porosity, scaffold pore structure, unit cell size, and length of the scaffolds as well as entrance mass flow rate on the permeability of porous structures was studied. Furthermore, a parametric study with scaling laws analysis of sample length and mass flow rate effects on the permeability showed good fit to the obtained data. It can be concluded that the sensitivity of permeability is more noticeable at higher porosities. The present approach can be used to characterize and optimize the scaffold microstructure due to the necessity of cell growth and transferring considerations.

Defining clogging potential for permeable concrete.

PubMed

Kia, Alalea; Wong, Hong S; Cheeseman, Christopher R

2018-08-15

Permeable concrete is used to reduce urban flooding as it allows water to flow through normally impermeable infrastructure. It is prone to clogging by particulate matter and predicting the long-term performance of permeable concrete is challenging as there is currently no reliable means of characterising clogging potential. This paper reports on the performance of a range of laboratory-prepared and commercial permeable concretes, close packed glass spheres and aggregate particles of varying size, exposed to different clogging methods to understand this phenomena. New methods were developed to study clogging and define clogging potential. The tests involved applying flowing water containing sand and/or clay in cycles, and measuring the change in permeability. Substantial permeability reductions were observed in all samples, particularly when exposed to sand and clay simultaneously. Three methods were used to define clogging potential based on measuring the initial permeability decay, half-life cycle and number of cycles to full clogging. We show for the first time strong linear correlations between these parameters for a wide range of samples, indicating their use for service-life prediction. Copyright © 2018 Elsevier Ltd. All rights reserved.

Permeability structure and its influence on microbial activity at off-Shimokita basin, Japan

NASA Astrophysics Data System (ADS)

Tanikawa, W.; Yamada, Y.; Sanada, Y.; Kubo, Y.; Inagaki, F.

2016-12-01

The microbial populations and the limit of microbial life are probably limited by chemical, physical, and geological conditions, such as temperature, pore water chemistry, pH, and water activity; however, the key parameters affecting growth in deep subseafloor sediments remain unclarified (Hinrichs and Inagaki 2012). IODP expedition 337 was conducted near a continental margin basin off Shimokita Peninsula, Japan to investigate the microbial activity under deep marine coalbed sediments down to 2500 mbsf. Inagaki et al. (2015) discovered that microbial abundance decreased markedly with depth (the lowest cell density of <1 cell/cm3 was recorded below 2000 mbsf), and that the coal bed layers had relatively higher cell densities. In this study, permeability was measured on core samples from IODP Expedition 337 and Expedition CK06-06 in the D/V Chikyu shakedown cruise. Permeability was measured at in-situ effective pressure condition. Permeability was calculated by the steady state flow method by keeping differential pore pressure from 0.1 to 0.8 MPa.Our results show that the permeability for core samples decreases with depth from 10-16 m2 on the seafloor to 10-20 m2 at the bottom of hole. However, permeability is highly scattered within the coal bed unit (1900 to 2000 mbsf). Permeabilities for sandstone and coal is higher than those for siltstone and shale, therefore the scatter of the permeabilities at the same unit is due to the high variation of lithology. The highest permeability was observed in coal samples and this is probably due to formation of micro cracks (cleats). Permeability estimated from the NMR logging using the empirical parameters is around two orders of magnitude higher than permeability of core samples, even though the relative permeability variation at vertical direction is quite similar between core and logging data.The higher cell density is observed in the relatively permeable formation. On the other hand, the correlation between cell density, water activity, and porosity is not clear. On the assumption that pressure gradient is constant through the depth, flow rate can be proportional to permeability of sediments. Flow rate probably restricts the availability of energy and nutrient for microorganism, therefore permeability might have influenced on the microbial activity in the coalbed basin.

Effects of capillary heterogeneity on vapor-liquid counterflow in porous media

NASA Astrophysics Data System (ADS)

Stubos, A. K.; Satik, C.; Yortsos, Y. C.

1992-06-01

Based on a continuum description, the effect of capillary heterogeneity, induced by variation in permeability, on the steady state, countercurrent, vapor-liquid flow in porous media is analyzed. It is shown that the heterogeneity acts as a body force that may enhance or diminish gravity effects on heat pipes. Selection rules that determine the steady states reached in homogeneous, gravity-driven heat pipes are also formulated. It is shown that the 'infinite' two-phase zone may terminate by a substantial change in the permeability somewhere in the medium. The two possible sequences, liquid-liquid dominated-dry, or liquid-vapor dominated-dry find applications in geothermal systems. Finally, it is shown that although weak heterogeneity affects only gravity controlled flows, stronger variations in permeability can give rise to significant capillary effects.

Quantitative prediction of ionization effect on human skin permeability.

PubMed

Baba, Hiromi; Ueno, Yusuke; Hashida, Mitsuru; Yamashita, Fumiyoshi

2017-04-30

Although skin permeability of an active ingredient can be severely affected by its ionization in a dose solution, most of the existing prediction models cannot predict such impacts. To provide reliable predictors, we curated a novel large dataset of in vitro human skin permeability coefficients for 322 entries comprising chemically diverse permeants whose ionization fractions can be calculated. Subsequently, we generated thousands of computational descriptors, including LogD (octanol-water distribution coefficient at a specific pH), and analyzed the dataset using nonlinear support vector regression (SVR) and Gaussian process regression (GPR) combined with greedy descriptor selection. The SVR model was slightly superior to the GPR model, with externally validated squared correlation coefficient, root mean square error, and mean absolute error values of 0.94, 0.29, and 0.21, respectively. These models indicate that Log D is effective for a comprehensive prediction of ionization effects on skin permeability. In addition, the proposed models satisfied the statistical criteria endorsed in recent model validation studies. These models can evaluate virtually generated compounds at any pH; therefore, they can be used for high-throughput evaluations of numerous active ingredients and optimization of their skin permeability with respect to permeant ionization. Copyright © 2017 Elsevier B.V. All rights reserved.

Flow unit modeling and fine-scale predicted permeability validation in Atokan sandstones: Norcan East Kansas

USGS Publications Warehouse

Bhattacharya, S.; Byrnes, A.P.; Watney, W.L.; Doveton, J.H.

2008-01-01

Characterizing the reservoir interval into flow units is an effective way to subdivide the net-pay zone into layers for reservoir simulation. Commonly used flow unit identification techniques require a reliable estimate of permeability in the net pay on a foot-by-foot basis. Most of the wells do not have cores, and the literature is replete with different kinds of correlations, transforms, and prediction methods for profiling permeability in pay. However, for robust flow unit determination, predicted permeability at noncored wells requires validation and, if necessary, refinement. This study outlines the use o f a spreadsheet-based permeability validation technique to characterize flow units in wells from the Norcan East field, Clark County, Kansas, that produce from Atokan aged fine- to very fine-grained quartzarenite sandstones interpreted to have been deposited in brackish-water, tidally dominated restricted tidal-flat, tidal-channel, tidal-bar, and estuary bay environments within a small incised-valley-fill system. The methodology outlined enables the identification of fieldwide free-water level and validates and refines predicted permeability at 0.5-ft (0.15-m) intervals by iteratively reconciling differences in water saturation calculated from wire-line log and a capillary-pressure formulation that models fine- to very fine-grained sandstone with diagenetic clay and silt or shale laminae. The effectiveness of this methodology was confirmed by successfully matching primary and secondary production histories using a flow unit-based reservoir model of the Norcan East field without permeability modifications. The methodologies discussed should prove useful for robust flow unit characterization of different kinds of reservoirs. Copyright ?? 2008. The American Association of Petroleum Geologists. All rights reserved.

In vitro solubility, dissolution and permeability studies combined with semi-mechanistic modeling to investigate the intestinal absorption of desvenlafaxine from an immediate- and extended release formulation.

PubMed

Franek, F; Jarlfors, A; Larsen, F; Holm, P; Steffansen, B

2015-09-18

Desvenlafaxine is a biopharmaceutics classification system (BCS) class 1 (high solubility, high permeability) and biopharmaceutical drug disposition classification system (BDDCS) class 3, (high solubility, poor metabolism; implying low permeability) compound. Thus the rate-limiting step for desvenlafaxine absorption (i.e. intestinal dissolution or permeation) is not fully clarified. The aim of this study was to investigate whether dissolution and/or intestinal permeability rate-limit desvenlafaxine absorption from an immediate-release formulation (IRF) and Pristiq(®), an extended release formulation (ERF). Semi-mechanistic models of desvenlafaxine were built (using SimCyp(®)) by combining in vitro data on dissolution and permeation (mechanistic part of model) with clinical data (obtained from literature) on distribution and clearance (non-mechanistic part of model). The model predictions of desvenlafaxine pharmacokinetics after IRF and ERF administration were compared with published clinical data from 14 trials. Desvenlafaxine in vivo dissolution from the IRF and ERF was predicted from in vitro solubility studies and biorelevant dissolution studies (using the USP3 dissolution apparatus), respectively. Desvenlafaxine apparent permeability (Papp) at varying apical pH was investigated using the Caco-2 cell line and extrapolated to effective intestinal permeability (Peff) in human duodenum, jejunum, ileum and colon. Desvenlafaxine pKa-values and octanol-water partition coefficients (Do:w) were determined experimentally. Due to predicted rapid dissolution after IRF administration, desvenlafaxine was predicted to be available for permeation in the duodenum. Desvenlafaxine Do:w and Papp increased approximately 13-fold when increasing apical pH from 5.5 to 7.4. Desvenlafaxine Peff thus increased with pH down the small intestine. Consequently, desvenlafaxine absorption from an IRF appears rate-limited by low Peff in the upper small intestine, which "delays" the predicted time to the maximal plasma concentration (tmax), consistent with clinical data. Conversely, desvenlafaxine absorption from the ERF appears rate-limited by dissolution due to the formulation, which tends to negate the influence of pH-dependent permeability on absorption. We suggest that desvenlafaxine Peff is mainly driven by transcellular diffusion of the unionized form. In the case of desvenlafaxine, poor metabolism does not imply low intestinal permeability, as indicated by the BDDCS, merely low duodenal/jejunal permeability. Copyright © 2015 Elsevier B.V. All rights reserved.

Compaction and gas loss in welded pyroclastic deposits as revealed by porosity, permeability, and electrical conductivity measurements of the Shevlin Park Tuff

USGS Publications Warehouse

Wright, Heather M.; Cashman, Katharine V.

2014-01-01

Pyroclastic flows produced by large volcanic eruptions commonly densify after emplacement. Processes of gas escape, compaction, and welding in pyroclastic-flow deposits are controlled by the physical and thermal properties of constituent material. Through measurements of matrix porosity, permeability, and electrical conductivity, we provide a framework for understanding the evolution of pore structure during these processes. Using data from the Shevlin Park Tuff in central Oregon, United States, and from the literature, we find that over a porosity range of 0%–70%, matrix permeability varies by almost 10 orders of magnitude (from 10–20 to 10–11 m2), with over three orders of magnitude variation at any given porosity. Part of the variation at a given porosity is due to permeability anisotropy, where oriented core samples indicate higher permeabilities parallel to foliation (horizontally) than perpendicular to foliation (vertically). This suggests that pore space is flattened during compaction, creating anisotropic crack-like networks, a geometry that is supported by electrical conductivity measurements. We find that the power law equation: k1 = 1.3 × 10–21 × ϕ5.2 provides the best approximation of dominant horizontal gas loss, where k1 = permeability, and ϕ = porosity. Application of Kozeny-Carman fluid-flow approximations suggests that permeability in the Shevlin Park Tuff is controlled by crack- or disk-like pore apertures with minimum widths of 0.3 and 7.5 μm. We find that matrix permeability limits compaction over short times, but deformation is then controlled by competition among cooling, compaction, water resorption, and permeable gas escape. These competing processes control the potential for development of overpressure (and secondary explosions) and the degree of welding in the deposit, processes that are applicable to viscous densification of volcanic deposits in general. Further, the general relationships among porosity, permeability, and pore geometry are relevant for flow of any fluid through an ignimbritic host.

Stratigraphy and structure of coalbed methane reservoirs in the United States: an overview

USGS Publications Warehouse

Pashin, J.C.

1998-01-01

Stratigraphy and geologic structure determine the shape, continuity and permeability of coal and are therefore critical considerations for designing exploration and production strategies for coalbed methane. Coal in the United states is dominantly of Pennsylvanian, Cretaceous and Tertiary age, and to date, more than 90% of the coalbed methane produced is from Pennsylvanian and cretaceous strata of the Black Warrior and San Juan Basins. Investigations of these basins establish that sequence stratigraphy is a promising approach for regional characterization of coalbed methane reservoirs. Local stratigraphic variation within these strata is the product of sedimentologic and tectonic processes and is a consideration for selecting completion zones. Coalbed methane production in the United States is mainly from foreland and intermontane basins containing diverse compression and extensional structures. Balanced structural models can be used to construct and validate cross sections as well as to quantify layer-parallel strain and predict the distribution of fractures. Folds and faults influence gas and water production in diverse ways. However, interwell heterogeneity related to fractures and shear structures makes the performance of individual wells difficult to predict.Stratigraphy and geologic structure determine the shape, continuity and permeability of coal and are therefore critical considerations for designing exploration and production strategies for coalbed methane. Coal in the United States is dominantly of Pennsylvanian, Cretaceous and Tertiary age, and to date, more than 90% of the coalbed methane produced is from Pennsylvanian and Cretaceous strata of the Black Warrior and San Juan Basins. Investigations of these basins establish that sequence stratigraphy is a promising approach for regional characterization of coalbed methane reservoirs. Local stratigraphic variation within these strata is the product of sedimentologic and tectonic processes and is a consideration for selecting completion zones. Coalbed methane production in the United States is mainly from foreland and intermontane basins containing diverse compressional and extensional structures. Balanced structural models can be used to construct and validate cross sections as well as to quantify layer-parallel strain and predict the distribution of fractures. Folds and faults influence gas and water production in diverse ways. However, interwell heterogeneity related to fractures and shear structures makes the performance of individual wells difficult to predict.

High Temperature Permeability of Carbon Cloth Phenolic Composite

NASA Technical Reports Server (NTRS)

Park, O. Y.; Lawrence, T. W.

2003-01-01

The carbon fiber phenolic resin composite material used for the RSRM nozzle insulator occasionally experiences problems during operation from pocketing or spalling-like erosion and lifting of plies into the char layer. This phenomenon can be better understood if the permeability of the material at elevated temperatures is well defined. This paper describes an experimental approach to determining high temperature permeability of the carbon phenolic material used as the RSRM nozzle liner material. Two different approaches were conducted independently using disk and bar type specimens with the designed permeability apparatus. The principle of the apparatus was to subject a test specimen to a high pressure differential and a heat supply and to monitor both the pressure and temperature variations resulting from gas penetration through the permeable wall between the two chambers. The bar types, especially designed to eliminate sealing difficulties at a high temperature environment, were directly exposed to real time temperature elevation from 22 C to 260 C during the test period. The disk types were pre-heat treated up to 300 C for 8 hours and cooled to room temperature before testing. Nonlinear variation of downstream pressure at a certain temperature range implied moisture release and matrix pyrolysis. Permeability was calculated using a semi-numerical model of quasi-steady state. The test results and the numerical model are discussed in the paper.

Permeability evolution governed by shear: An example during spine extrusion at Unzen volcano, Japan

NASA Astrophysics Data System (ADS)

Ashworth, James; Lavallée, Yan; Wallace, Paul; Kendrick, Jackie; Coats, Rebecca; Miwa, Takahiro; Hess, Kai-Uwe

2017-04-01

A volcano's eruptive style is strongly controlled by the permeability of the magma and the surrounding edifice rock - explosive activity is more likely if exsolved gases cannot escape the system. In this study, we investigate how shear strain causes variations in permeability within a volcanic conduit, and discuss how spatio-temporal variation in shear regimes may develop. The eruption of Unzen volcano, Japan, which occurred between 1990 - 1995, culminated in the extrusion of a 60 metre-high dacitic spine. The spine, left exposed at the lava dome surface, displays the petrographic architecture of the magma in the shallow conduit. Observations and measurements made in the field are combined with laboratory experiments to understand the distribution of permeability in the shallow conduit. Examination of the lava dome led to the selection of two sites for detailed investigation. First, we examined a section of extruded spine 6 metres in width, which displays a transition from apparently unsheared rock in the conduit core to rocks exhibiting increasing shear towards the conduit margin, bounded by a fault gouge zone. Laboratory characterisation (mineralogy, porosity, permeability, X-ray tomography) was undertaken on these samples. In contrast, a second section of spine (extruded later during the eruption) exhibited a large tensile fracture, and this area was investigated using non-destructive in-situ permeability measurements. Our lab measurements show that in the first outcrop, permeability decreases across the shear zone from core to gouge by approximately one order of magnitude perpendicular to shear; a similar decrease is observed parallel to shear, but is less severe. The lowest permeability is observed in the most highly sheared block; here, permeability is 2.5 x10-14 m2 in the plane of shear and 9 x10-15 m2 perpendicular to shear. Our measurements clearly demonstrate the influence of shear on conduit permeability, with significant anisotropy in the shear zone. The sheared rocks are strongly micro-fractured, resulting in a porosity decrease of up to 4% and permeability decrease of over one order of magnitude with increasing effective pressure (effective pressure = confining pressure - pore pressure) between 5 - 100 MPa, representative of increasing lithostatic pressure from 200 m to 4 km depth in the crust. In contrast, our field study of the second spine section, which features a 2 cm wide by 3 metre-long tensile fracture flanked by a 40-cm wide shear damage zone, reveals that dilational shear can result in an increase in permeability of approximately three orders of magnitude. The contrasting shear zone characteristics can be attributed to different shear regimes, which likely occur at different depths in the conduit. At greater depth in the system, where lithostatic pressures largely exceed pore pressure, compactional shear appears to dominate, reducing the permeable porous network as magma strains along the conduit margin, whereas at shallower levels, where the effective pressure is low, dilational shear becomes dominant, resulting in the creation of permeable pathways. We conclude that contrasting shearing regimes may simultaneously affect magma ascent dynamics in volcanic conduits, causing a range of dynamic permeability variations (positive and negative), which dictate eruptive behaviour.

Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

PubMed Central

Alves, Vinicius M.; Muratov, Eugene; Fourches, Denis; Strickland, Judy; Kleinstreuer, Nicole; Andrade, Carolina H.; Tropsha, Alexander

2015-01-01

Skin permeability is widely considered to be mechanistically implicated in chemically-induced skin sensitization. Although many chemicals have been identified as skin sensitizers, there have been very few reports analyzing the relationships between molecular structure and skin permeability of sensitizers and non-sensitizers. The goals of this study were to: (i) compile, curate, and integrate the largest publicly available dataset of chemicals studied for their skin permeability; (ii) develop and rigorously validate QSAR models to predict skin permeability; and (iii) explore the complex relationships between skin sensitization and skin permeability. Based on the largest publicly available dataset compiled in this study, we found no overall correlation between skin permeability and skin sensitization. In addition, cross-species correlation coefficient between human and rodent permeability data was found to be as low as R2=0.44. Human skin permeability models based on the random forest method have been developed and validated using OECD-compliant QSAR modeling workflow. Their external accuracy was high (Q2ext = 0.73 for 63% of external compounds inside the applicability domain). The extended analysis using both experimentally-measured and QSAR-imputed data still confirmed the absence of any overall concordance between skin permeability and skin sensitization. This observation suggests that chemical modifications that affect skin permeability should not be presumed a priori to modulate the sensitization potential of chemicals. The models reported herein as well as those developed in the companion paper on skin sensitization suggest that it may be possible to rationally design compounds with the desired high skin permeability but low sensitization potential. PMID:25560673

Glacial cycles drive variations in the production of oceanic crust

NASA Astrophysics Data System (ADS)

Crowley, J. W.; Katz, R. F.; Langmuir, C. H.; Huybers, P. J.

2013-12-01

Changes in sea level accompanying glacial cycles affect the static pressure within the asthenosphere; these variations could modulate melting rates beneath the mid-ocean ridge system as well as crustal thickness. These effects can be investigated and quantified using models of ridges based on conservation of mass, momentum, energy, and composition for two phases (magma & mantle) and two thermodynamic components (enriched & depleted). The models predict that the sensitivity of crustal thickness to oscillations in sea-level depends on the period of oscillation, the spreading rate of the ridge, and the assumed permeability scale of the melting regime. In contrast to previous studies (Huybers & Langmuir, 2009 and Lund & Asimow, 2011), the new results indicate that effects are larger for ridges with faster spreading rates. They also show that the dominant period of variations in crustal thickness changes with spreading rate and permeability. Sea-level variations with periods in the range of 10 ky - 100 ky can result in significant changes in crustal thickness that are orders of magnitude larger than the sea-level variations that drive them. Accurately modelling this process requires the inclusion of two previously unaccounted for processes: (1) determining the volume of the melting regime that is consistent with the ridge spreading rate and (2) properly treating the transport of melt. These enable us to capture the non-linear dependencies on spreading rate and other model parameters. Spectral analysis of bathymetry at two ridge segments that have a symmetric bathymetric signal and hence are undisturbed by off-axis volcanism or ridge jumps reveals the presence of variability at frequencies associated with precession, obliquity, and the 100 ky glacial/inter-glacial variability. Furthermore, the faster spreading ridge has larger amplitude responses to changes in sea level and shows a proportionately greater response at higher frequencies. These observations reinforce the possible links among climate cycles at the surface, mantle melting at depth and the crustal fabric of the sea floor.

Insights from in-situ X-ray computed tomography during axial impregnation of unidirectional fiber beds

DOE PAGES

Larson, Natalie M.; Zok, Frank W.

2017-12-27

In-situ X-ray computed tomography during axial impregnation of unidirectional fiber beds is used to study coupled effects of fluid velocity, fiber movement and preferred flow channeling on permeability. Here, in order to interpret the experimental measurements, a new computational tool for predicting axial permeability of very large 2D arrays of non-uniformly packed fibers is developed. The results show that, when the impregnation velocity is high, full saturation is attained behind the flow front and the fibers rearrange into a less uniform configuration with higher permeability. In contrast, when the velocity is low, fluid flows preferentially in the narrowest channels betweenmore » fibers, yielding unsaturated permeabilities that are lower than those in the saturated state. Lastly, these insights combined with a new computational tool will enable improved prediction of permeability, ultimately for use in optimization of composite manufacturing via liquid impregnation.« less

Insights from in-situ X-ray computed tomography during axial impregnation of unidirectional fiber beds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Larson, Natalie M.; Zok, Frank W.

In-situ X-ray computed tomography during axial impregnation of unidirectional fiber beds is used to study coupled effects of fluid velocity, fiber movement and preferred flow channeling on permeability. Here, in order to interpret the experimental measurements, a new computational tool for predicting axial permeability of very large 2D arrays of non-uniformly packed fibers is developed. The results show that, when the impregnation velocity is high, full saturation is attained behind the flow front and the fibers rearrange into a less uniform configuration with higher permeability. In contrast, when the velocity is low, fluid flows preferentially in the narrowest channels betweenmore » fibers, yielding unsaturated permeabilities that are lower than those in the saturated state. Lastly, these insights combined with a new computational tool will enable improved prediction of permeability, ultimately for use in optimization of composite manufacturing via liquid impregnation.« less

Relationship between anisotropies of permeability, electrical conductivity, and dielectric permittivity, with application to the Ellenburger dolomite reservoir analog

NASA Astrophysics Data System (ADS)

Kutemi, Titilope F.

The steady-state flow technique was employed to measure the flow rate of clean dry air through thirty core plugs (approximately 1" diameter) of the Ellenburger dolomite, drilled normal and parallel to the dominant fractures. Porosity was estimated by the method of imbibition. Electrical parameters (electrical conductivity and dielectric permittivity) were calculated from electrical resistance and capacitance measured as a function of frequency (100 Hz, 120 Hz, 1 KHz, and 10 KHz) and saturation (dry/ambient and brine saturated conditions). Another set of permeability data obtained by the method of pressure decay on similar samples was used for correlation. Anisotropies of permeability and electromagnetic parameters were established. Empirical relations between porosity (phi), permeability (k), electrical conductivity (sigma), and dielectric permittivity (epsilon) were defined via cross-plots and linear regressions. Prediction of k from sigma and epsilon was attempted; k from sigma was modeled from a combination of the Archie's relation and the Carman-Kozeny relation. Anisotropic EM responses are sensitive to saturation. Anisotropies of conductivity and permeability were observed to be controlled by the pore micro-structure. Although the rock is fractured, the fracture density appears insufficient to dominate the effects of primary structures in these samples of the Ellenburger dolomite. Model-based prediction of permeability from conductivity is generally unreliable, and is attributed to the underlying assumptions of the models, which are not consistent with the properties of the samples used for this study. Permeability was not predictable from dielectric permittivity.

Permeability-porosity relationships in sedimentary rocks

USGS Publications Warehouse

Nelson, Philip H.

1994-01-01

In many consolidated sandstone and carbonate formations, plots of core data show that the logarithm of permeability (k) is often linearly proportional to porosity (??). The slope, intercept, and degree of scatter of these log(k)-?? trends vary from formation to formation, and these variations are attributed to differences in initial grain size and sorting, diagenetic history, and compaction history. In unconsolidated sands, better sorting systematically increases both permeability and porosity. In sands and sandstones, an increase in gravel and coarse grain size content causes k to increase even while decreasing ??. Diagenetic minerals in the pore space of sandstones, such as cement and some clay types, tend to decrease log(k) proportionately as ?? decreases. Models to predict permeability from porosity and other measurable rock parameters fall into three classes based on either grain, surface area, or pore dimension considerations. (Models that directly incorporate well log measurements but have no particular theoretical underpinnings from a fourth class.) Grain-based models show permeability proportional to the square of grain size times porosity raised to (roughly) the fifth power, with grain sorting as an additional parameter. Surface-area models show permeability proportional to the inverse square of pore surface area times porosity raised to (roughly) the fourth power; measures of surface area include irreducible water saturation and nuclear magnetic resonance. Pore-dimension models show permeability proportional to the square of a pore dimension times porosity raised to a power of (roughly) two and produce curves of constant pore size that transgress the linear data trends on a log(k)-?? plot. The pore dimension is obtained from mercury injection measurements and is interpreted as the pore opening size of some interconnected fraction of the pore system. The linear log(k)-?? data trends cut the curves of constant pore size from the pore-dimension models, which shows that porosity reduction is always accompanied by a reduction in characteristic pore size. The high powers of porosity of the grain-based and surface-area models are required to compensate for the inclusion of the small end of the pore size spectrum.

Permeability-Porosity Relationships of Subduction Zone Sediments

NASA Astrophysics Data System (ADS)

Gamage, K.; Screaton, E.; Bekins, B.; Aiello, I.

2008-12-01

Permeability-porosity relationships for sediments from Northern Barbados, Costa Rica, Nankai, and Peru subduction zones were examined based on their sediment type and grain size distribution. Greater correlation was observed between permeability and porosity for siliciclastic sediments, diatom oozes, and nannofossil chalk than for nannofossil oozes. For siliciclastic sediments, grouping of sediments by clay content yields relationships that are generally consistent with results from other marine settings and suggest decreasing permeability for a given porosity as clay content increases. Correction of measured porosities for smectite content generally improves the quality of permeability-porosity relationships. The relationship between permeability and porosity for diatom oozes may be controlled by the amount of clay present in the ooze, causing diatom oozes to behave similarly to siliciclastic sediments. For a given porosity the nannofossil oozes have higher permeability values by 1.5 orders of magnitude than the siliciclastic sediments. However, the use of a permeability-porosity relation may not be appropriate for unconsolidated carbonates such as nannofossil oozes. This study provided insight to the effects of porosity correction for smectite, variations in lithology and grain size in permeability-porosity relationships. However, further progress in delineating controls on permeability will require more careful and better documented permeability tests on characterized samples.

Heat flow evidence for hydrothermal circulation in the volcanic basement of subducting plates

NASA Astrophysics Data System (ADS)

Harris, R. N.; Spinelli, G. A.; Fisher, A. T.

2017-12-01

We summarize and interpret evidence for hydrothermal circulation in subducting oceanic basement from the Nankai, Costa Rica, south central Chile, Haida Gwaii, and Cascadia margins and explore the influence of hydrothermal circulation on plate boundary temperatures in these settings. Heat flow evidence for hydrothermal circulation in the volcanic basement of incoming plates includes: (a) values that are well below conductive (lithospheric) predictions due to advective heat loss, and (b) variability about conductive predictions that cannot be explained by variations in seafloor relief or thermal conductivity. We construct thermal models of these systems that include an aquifer in the upper oceanic crust that enhances heat transport via a high Nusselt number proxy for hydrothermal circulation. At the subduction zones examined, patterns of seafloor heat flow are not well fit by purely conductive simulations, and are better explained by simulations that include the influence of hydrothermal circulation. This result is consistent with the young basement ages (8-35 Ma) of the incoming igneous crust at these sites as well as results from global heat flow analyses showing a significant conductive heat flow deficit for crustal ages less than 65 Ma. Hydrothermal circulation within subducting oceanic basement can have a profound influence on temperatures close to the plate boundary and, in general, leads to plate boundary temperatures that are cooler than those where fluid flow does not occur. The magnitude of cooling depends on the permeability structure of the incoming plate and the evolution of permeability with depth and time. Resolving complex relationships between subduction processes, the permeability structure in the ocean crust, and the dynamics of hydrothermal circulation remains an interdisciplinary frontier.

Predict drug permeability to blood–brain-barrier from clinical phenotypes: drug side effects and drug indications

PubMed Central

Gao, Zhen; Chen, Yang; Cai, Xiaoshu; Xu, Rong

2017-01-01

Abstract Motivation: Blood–Brain-Barrier (BBB) is a rigorous permeability barrier for maintaining homeostasis of Central Nervous System (CNS). Determination of compound’s permeability to BBB is prerequisite in CNS drug discovery. Existing computational methods usually predict drug BBB permeability from chemical structure and they generally apply to small compounds passing BBB through passive diffusion. As abundant information on drug side effects and indications has been recorded over time through extensive clinical usage, we aim to explore BBB permeability prediction from a new angle and introduce a novel approach to predict BBB permeability from drug clinical phenotypes (drug side effects and drug indications). This method can apply to both small compounds and macro-molecules penetrating BBB through various mechanisms besides passive diffusion. Results: We composed a training dataset of 213 drugs with known brain and blood steady-state concentrations ratio and extracted their side effects and indications as features. Next, we trained SVM models with polynomial kernel and obtained accuracy of 76.0%, AUC 0.739, and F1 score (macro weighted) 0.760 with Monte Carlo cross validation. The independent test accuracy was 68.3%, AUC 0.692, F1 score 0.676. When both chemical features and clinical phenotypes were available, combining the two types of features achieved significantly better performance than chemical feature based approach (accuracy 85.5% versus 72.9%, AUC 0.854 versus 0.733, F1 score 0.854 versus 0.725; P < e−90). We also conducted de novo prediction and identified 110 drugs in SIDER database having the potential to penetrate BBB, which could serve as start point for CNS drug repositioning research. Availability and Implementation: https://github.com/bioinformatics-gao/CASE-BBB-prediction-Data Contact: rxx@case.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27993785

Stem sapwood permeability in relation to crown dominance and site quality in self-thinning fire-origin lodgepole pine stands.

PubMed

Reid, Douglas E B; Silins, Uldis; Lieffers, Victor J

2003-08-01

Stem sapwood hydraulic permeability, tree leaf area, sapwood basal area, earlywood to latewood ratio of annual rings, radial variation in hydraulic permeability and stem hydraulic capacity were examined in dominant (D), codominant (CD) and suppressed (SP) lodgepole pine (Pinus contorta Dougl. ex Loud.) trees growing on medium and poor sites. Hydraulic permeability on a sapwood area basis (ks) was lower in suppressed trees (0.71 x 10(-12) m2) compared to dominants (1.97 x 10(-12) m2) and codominants (1.79 x 10(-12) m2), and higher on medium than on poor sites. The leaf/sapwood area ratio (S) varied with crown dominance position (D > CD > SP) but not by site type. Leaf specific conductivity (kL) did not vary between crown classes or site types. The relationship between leaf area and stem hydraulic supply capacity (Q*) was strong, but differed among crown classes. Dominant trees and trees from the medium sites had a greater proportion of earlywood in outer rings of sapwood than suppressed trees. Sapwood permeability declined from the cambium to the sapwood-heartwood boundary in all samples, but the decline was more gradual in dominant trees compared to codominant and suppressed trees; differences in the radial variation in sapwood permeability may be related to differences in S. Sapwood permeability is positively related to crown dominance, whereas subdominant (CD and SP) trees have greater Q* in relation to leaf area, leading us to propose that this may give subdominant trees a survival advantage, slowing self-thinning.

Multiphase flow predictions from carbonate pore space images using extracted network models

NASA Astrophysics Data System (ADS)

Al-Kharusi, Anwar S.; Blunt, Martin J.

2008-06-01

A methodology to extract networks from pore space images is used to make predictions of multiphase transport properties for subsurface carbonate samples. The extraction of the network model is based on the computation of the location and sizes of pores and throats to create a topological representation of the void space of three-dimensional (3-D) rock images, using the concept of maximal balls. In this work, we follow a multistaged workflow. We start with a 2-D thin-section image; convert it statistically into a 3-D representation of the pore space; extract a network model from this image; and finally, simulate primary drainage, waterflooding, and secondary drainage flow processes using a pore-scale simulator. We test this workflow for a reservoir carbonate rock. The network-predicted absolute permeability is similar to the core plug measured value and the value computed on the 3-D void space image using the lattice Boltzmann method. The predicted capillary pressure during primary drainage agrees well with a mercury-air experiment on a core sample, indicating that we have an adequate representation of the rock's pore structure. We adjust the contact angles in the network to match the measured waterflood and secondary drainage capillary pressures. We infer a significant degree of contact angle hysteresis. We then predict relative permeabilities for primary drainage, waterflooding, and secondary drainage that agree well with laboratory measured values. This approach can be used to predict multiphase transport properties when wettability and pore structure vary in a reservoir, where experimental data is scant or missing. There are shortfalls to this approach, however. We compare results from three networks, one of which was derived from a section of the rock containing vugs. Our method fails to predict properties reliably when an unrepresentative image is processed to construct the 3-D network model. This occurs when the image volume is not sufficient to represent the geological variations observed in a core plug sample.

Investigation on porosity and permeability change of Mount Simon sandstone (Knox County, IN, USA) under geological CO 2 sequestration conditions: a numerical simulation approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Liwei; Soong, Yee; Dilmore, Robert M.

In this paper, a numerical model was developed to simulate reactive transport with porosity and permeability change of Mount Simon sandstone (samples from Knox County, IN) after 180 days of exposure to CO 2-saturated brine under CO 2 sequestration conditions. The model predicted formation of a high-porosity zone adjacent to the surface of the sample in contact with bulk brine, and a lower porosity zone just beyond that high-porosity zone along the path from sample/bulk brine interface to sample core. The formation of the high porosity zone was attributed to dissolution of quartz and muscovite/illite, while the formation of themore » lower porosity zone adjacent to the aforementioned high porosity zone was attributed to precipitation of kaolinite and feldspar. The model predicted a 40% permeability increase for the Knox sandstone sample after 180 days of exposure to CO 2-saturated brine, which was consistent with laboratory-measured permeability results. Model-predicted solution chemistry results were also found to be consistent with laboratory-measured solution chemistry data. Finally, initial porosity, initial feldspar content and the exponent n value (determined by pore structure and tortuosity) used in permeability calculations were three important factors affecting permeability evolution of sandstone samples under CO 2 sequestration conditions.« less

Investigation on porosity and permeability change of Mount Simon sandstone (Knox County, IN, USA) under geological CO 2 sequestration conditions: a numerical simulation approach

DOE PAGES

Zhang, Liwei; Soong, Yee; Dilmore, Robert M.

2016-01-14

In this paper, a numerical model was developed to simulate reactive transport with porosity and permeability change of Mount Simon sandstone (samples from Knox County, IN) after 180 days of exposure to CO 2-saturated brine under CO 2 sequestration conditions. The model predicted formation of a high-porosity zone adjacent to the surface of the sample in contact with bulk brine, and a lower porosity zone just beyond that high-porosity zone along the path from sample/bulk brine interface to sample core. The formation of the high porosity zone was attributed to dissolution of quartz and muscovite/illite, while the formation of themore » lower porosity zone adjacent to the aforementioned high porosity zone was attributed to precipitation of kaolinite and feldspar. The model predicted a 40% permeability increase for the Knox sandstone sample after 180 days of exposure to CO 2-saturated brine, which was consistent with laboratory-measured permeability results. Model-predicted solution chemistry results were also found to be consistent with laboratory-measured solution chemistry data. Finally, initial porosity, initial feldspar content and the exponent n value (determined by pore structure and tortuosity) used in permeability calculations were three important factors affecting permeability evolution of sandstone samples under CO 2 sequestration conditions.« less

Numerical analysis of the hydrogeologic controls in a layered coastal aquifer system, Oahu, Hawaii, USA

USGS Publications Warehouse

Oki, D.S.; Souza, W.R.; Bolke, E.L.; Bauer, G.R.

1998-01-01

The coastal aquifer system of southern Oahu, Hawaii, USA, consists of highly permeable volcanic aquifers overlain by weathered volcanic rocks and interbedded marine and terrestrial sediments of both high and low permeability. The weathered volcanic rocks and sediments are collectively known as caprock, because they impede the free discharge of groundwater from the underlying volcanic aquifers. A cross-sectional groundwater flow and transport model was used to evaluate the hydrogeologic controls on the regional flow system in southwestern Oahu. Controls considered were: (a) overall caprock hydraulic conductivity; and (b) stratigraphic variations of hydraulic conductivity in the caprock. Within the caprock, variations in hydraulic conductivity, caused by stratigraphy or discontinuities of the stratigraphic units, are a major control on the direction of groundwater flow and the distribution of water levels and salinity. Results of cross-sectional modeling confirm the general groundwater flow pattern that would be expected in a layered coastal system. Ground-water flow is: (a) predominantly upward in the low-permeability sedimentary units; and (b) predominantly horizontal in the high-permeability sedimentary units.

Solutions to variational inequalities of parabolic type

NASA Astrophysics Data System (ADS)

Zhu, Yuanguo

2006-09-01

The existence of strong solutions to a kind of variational inequality of parabolic type is investigated by the theory of semigroups of linear operators. As an application, an abstract semi permeable media problem is studied.

Impact of Humidity on In Vitro Human Skin Permeation Experiments for Predicting In Vivo Permeability.

PubMed

Ishida, Masahiro; Takeuchi, Hiroyuki; Endo, Hiromi; Yamaguchi, Jun-Ichi

2015-12-01

In vitro skin permeation studies have been commonly conducted to predict in vivo permeability for the development of transdermal therapeutic systems (TTSs). We clarified the impact of humidity on in vitro human skin permeation of two TTSs having different breathability and then elucidated the predictability of in vivo permeability based on in vitro experimental data. Nicotinell(®) TTS(®) 20 and Frandol(®) tape 40mg were used as model TTSs in this study. The in vitro human skin permeation experiments were conducted under humidity levels similar to those used in clinical trials (approximately 50%) as well as under higher humidity levels (approximately 95%). The skin permeability values of drugs at 95% humidity were higher than those at 50% humidity. The time profiles of the human plasma concentrations after TTS application fitted well with the clinical data when predicted based on the in vitro permeation parameters at 50% humidity. On the other hand, those profiles predicted based on the parameters at 95% humidity were overestimated. The impact of humidity was higher for the more breathable TTS; Frandol(®) tape 40mg. These results show that in vitro human skin permeation experiments should be investigated under realistic clinical humidity levels especially for breathable TTSs. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Using soft computing techniques to predict corrected air permeability using Thomeer parameters, air porosity and grain density

NASA Astrophysics Data System (ADS)

Nooruddin, Hasan A.; Anifowose, Fatai; Abdulraheem, Abdulazeez

2014-03-01

Soft computing techniques are recently becoming very popular in the oil industry. A number of computational intelligence-based predictive methods have been widely applied in the industry with high prediction capabilities. Some of the popular methods include feed-forward neural networks, radial basis function network, generalized regression neural network, functional networks, support vector regression and adaptive network fuzzy inference system. A comparative study among most popular soft computing techniques is presented using a large dataset published in literature describing multimodal pore systems in the Arab D formation. The inputs to the models are air porosity, grain density, and Thomeer parameters obtained using mercury injection capillary pressure profiles. Corrected air permeability is the target variable. Applying developed permeability models in recent reservoir characterization workflow ensures consistency between micro and macro scale information represented mainly by Thomeer parameters and absolute permeability. The dataset was divided into two parts with 80% of data used for training and 20% for testing. The target permeability variable was transformed to the logarithmic scale as a pre-processing step and to show better correlations with the input variables. Statistical and graphical analysis of the results including permeability cross-plots and detailed error measures were created. In general, the comparative study showed very close results among the developed models. The feed-forward neural network permeability model showed the lowest average relative error, average absolute relative error, standard deviations of error and root means squares making it the best model for such problems. Adaptive network fuzzy inference system also showed very good results.

pH-Dependent solubility and permeability criteria for provisional biopharmaceutics classification (BCS and BDDCS) in early drug discovery.

PubMed

Varma, Manthena V; Gardner, Iain; Steyn, Stefanus J; Nkansah, Paul; Rotter, Charles J; Whitney-Pickett, Carrie; Zhang, Hui; Di, Li; Cram, Michael; Fenner, Katherine S; El-Kattan, Ayman F

2012-05-07

The Biopharmaceutics Classification System (BCS) is a scientific framework that provides a basis for predicting the oral absorption of drugs. These concepts have been extended in the Biopharmaceutics Drug Disposition Classification System (BDDCS) to explain the potential mechanism of drug clearance and understand the effects of uptake and efflux transporters on absorption, distribution, metabolism, and elimination. The objective of present work is to establish criteria for provisional biopharmaceutics classification using pH-dependent passive permeability and aqueous solubility data generated from high throughput screening methodologies in drug discovery settings. The apparent permeability across monolayers of clonal cell line of Madin-Darby canine kidney cells, selected for low endogenous efflux transporter expression, was measured for a set of 105 drugs, with known BCS and BDDCS class. The permeability at apical pH 6.5 for acidic drugs and at pH 7.4 for nonacidic drugs showed a good correlation with the fraction absorbed in human (Fa). Receiver operating characteristic (ROC) curve analysis was utilized to define the permeability class boundary. At permeability ≥ 5 × 10(-6) cm/s, the accuracy of predicting Fa of ≥ 0.90 was 87%. Also, this cutoff showed more than 80% sensitivity and specificity in predicting the literature permeability classes (BCS), and the metabolism classes (BDDCS). The equilibrium solubility of a subset of 49 drugs was measured in pH 1.2 medium, pH 6.5 phosphate buffer, and in FaSSIF medium (pH 6.5). Although dose was not considered, good concordance of the measured solubility with BCS and BDDCS solubility class was achieved, when solubility at pH 1.2 was used for acidic compounds and FaSSIF solubility was used for basic, neutral, and zwitterionic compounds. Using a cutoff of 200 μg/mL, the data set suggested a 93% sensitivity and 86% specificity in predicting both the BCS and BDDCS solubility classes. In conclusion, this study identified pH-dependent permeability and solubility criteria that can be used to assign provisional biopharmaceutics class at early stage of the drug discovery process. Additionally, such a classification system will enable discovery scientists to assess the potential limiting factors to oral absorption, as well as help predict the drug disposition mechanisms and potential drug-drug interactions.

Prediction of the Passive Intestinal Absorption of Medicinal Plant Extract Constituents with the Parallel Artificial Membrane Permeability Assay (PAMPA).

PubMed

Petit, Charlotte; Bujard, Alban; Skalicka-Woźniak, Krystyna; Cretton, Sylvian; Houriet, Joëlle; Christen, Philippe; Carrupt, Pierre-Alain; Wolfender, Jean-Luc

2016-03-01

At the early drug discovery stage, the high-throughput parallel artificial membrane permeability assay is one of the most frequently used in vitro models to predict transcellular passive absorption. While thousands of new chemical entities have been screened with the parallel artificial membrane permeability assay, in general, permeation properties of natural products have been scarcely evaluated. In this study, the parallel artificial membrane permeability assay through a hexadecane membrane was used to predict the passive intestinal absorption of a representative set of frequently occurring natural products. Since natural products are usually ingested for medicinal use as components of complex extracts in traditional herbal preparations or as phytopharmaceuticals, the applicability of such an assay to study the constituents directly in medicinal crude plant extracts was further investigated. Three representative crude plant extracts with different natural product compositions were chosen for this study. The first extract was composed of furanocoumarins (Angelica archangelica), the second extract included alkaloids (Waltheria indica), and the third extract contained flavonoid glycosides (Pueraria montana var. lobata). For each medicinal plant, the effective passive permeability values Pe (cm/s) of the main natural products of interest were rapidly calculated thanks to a generic ultrahigh-pressure liquid chromatography-UV detection method and because Pe calculations do not require knowing precisely the concentration of each natural product within the extracts. The original parallel artificial membrane permeability assay through a hexadecane membrane was found to keep its predictive power when applied to constituents directly in crude plant extracts provided that higher quantities of the extract were initially loaded in the assay in order to ensure suitable detection of the individual constituents of the extracts. Such an approach is thus valuable for the high-throughput, cost-effective, and early evaluation of passive intestinal absorption of active principles in medicinal plants. In phytochemical studies, obtaining effective passive permeability values of pharmacologically active natural products is important to predict if natural products showing interesting activities in vitro may have a chance to reach their target in vivo. Georg Thieme Verlag KG Stuttgart · New York.

Predicting capillarity of mudrocks for geological storage of CO2

NASA Astrophysics Data System (ADS)

Busch, Andreas; Amann-Hildenbrand, Alexandra

2013-04-01

Various rock types were investigated, with the main focus on the determination and prediction of the capillary breakthrough and snap-off pressure in mudrocks (e.g. shales, siltstones, mudstones). Knowledge about these two critical pressures is important for the prediction of the capillary sealing capacity of CO2 storage sites. Capillary pressure experiments, when performed on low-permeable core plugs, are difficult and time consuming. Laboratory measurements on core plugs under in-situ conditions are mostly performed using nitrogen, but also with methane and carbon dioxide. Therefore, mercury porosimetry measurements (MIP) are preferably used in the industry to determine an equivalent value for the capillary breakthrough pressure. These measurements have the advantage to be quick and cheap and only require cuttings or trim samples. When evaluating the database in detail we find that (1) MIP data plot well with the drainage breakthrough pressures determined on sample plugs, while the conversion of the system Hg/air to CO2/brine using interfacial and wettability data does not provide a uniform match, potentially caused by non fully water-wet conditions; (2) brine permeability versus capillary breakthrough pressure determined on sample plugs shows a good match and could provide a first estimate of Pc-values since permeability is easier to determine than capillary breakthrough pressures. For imbibition snap-off pressures a good correlation was found for CH4 measured on sample plugs only; (3) porosity shows a fairly good correlation with permeability for sandstone only, and with plug-derived capillary breakthrough pressures for sandstones, carbonates and evaporates. No such correlations exist for mudrocks; (4) air and brine-derived permeabilities show an excellent correlation and (5) from the data used we do not infer any direct correlations between specific surface area (SSA), mineralogy or organic carbon content with permeability or capillary pressure however were able to predict permeabilities using a more sophisticated model that relies on several of these parameters.

A Thermo-Hydro-Mechanical coupled Numerical modeling of Injection-induced seismicity on a pre-existing fault

NASA Astrophysics Data System (ADS)

Kim, Jongchan; Archer, Rosalind

2017-04-01

In terms of energy development (oil, gas and geothermal field) and environmental improvement (carbon dioxide sequestration), fluid injection into subsurface has been dramatically increased. As a side effect of these operations, a number of injection-induced seismic activities have also significantly risen. It is known that the main causes of induced seismicity are changes in local shear and normal stresses and pore pressure as well. This mechanism leads to increase in the probability of earthquake occurrence on permeable pre-existing fault zones predominantly. In this 2D fully coupled THM geothermal reservoir numerical simulation of injection-induced seismicity, we investigate the thermal, hydraulic and mechanical behavior of the fracture zone, considering a variety of 1) fault permeability, 2) injection rate and 3) injection temperature to identify major contributing parameters to induced seismic activity. We also calculate spatiotemporal variation of the Coulomb stress which is a combination of shear stress, normal stress and pore pressure and lastly forecast the seismicity rate on the fault zone by computing the seismic prediction model of Dieterich (1994).

Influence of heterogeneity on second-kind self-similar solutions for viscous gravity currents

DOE PAGES

Zheng, Zhong; Christov, Ivan  C.; Stone, Howard  A.

2014-05-01

We report experimental, theoretical and numerical results on the effects of horizontal heterogeneities on the propagation of viscous gravity currents. We use two geometries to highlight these effects: (a) a horizontal channel (or crack) whose gap thickness varies as a power-law function of the streamwise coordinate; (b) a heterogeneous porous medium whose permeability and porosity have power-law variations. We demonstrate that two types of self-similar behaviours emerge as a result of horizontal heterogeneity: (a) a first-kind self-similar solution is found using dimensional analysis (scaling) for viscous gravity currents that propagate away from the origin (a point of zero permeability); (b)more » a second-kind self-similar solution is found using a phase-plane analysis for viscous gravity currents that propagate toward the origin. These theoretical predictions, obtained using the ideas of self-similar intermediate asymptotics, are compared with experimental results and numerical solutions of the governing partial differential equation developed under the lubrication approximation. All three results are found to be in good agreement.« less

Computational modeling for prediction of the shear stress of three-dimensional isotropic and aligned fiber networks.

PubMed

Park, Seungman

2017-09-01

Interstitial flow (IF) is a creeping flow through the interstitial space of the extracellular matrix (ECM). IF plays a key role in diverse biological functions, such as tissue homeostasis, cell function and behavior. Currently, most studies that have characterized IF have focused on the permeability of ECM or shear stress distribution on the cells, but less is known about the prediction of shear stress on the individual fibers or fiber networks despite its significance in the alignment of matrix fibers and cells observed in fibrotic or wound tissues. In this study, I developed a computational model to predict shear stress for different structured fibrous networks. To generate isotropic models, a random growth algorithm and a second-order orientation tensor were employed. Then, a three-dimensional (3D) solid model was created using computer-aided design (CAD) software for the aligned models (i.e., parallel, perpendicular and cubic models). Subsequently, a tetrahedral unstructured mesh was generated and flow solutions were calculated by solving equations for mass and momentum conservation for all models. Through the flow solutions, I estimated permeability using Darcy's law. Average shear stress (ASS) on the fibers was calculated by averaging the wall shear stress of the fibers. By using nonlinear surface fitting of permeability, viscosity, velocity, porosity and ASS, I devised new computational models. Overall, the developed models showed that higher porosity induced higher permeability, as previous empirical and theoretical models have shown. For comparison of the permeability, the present computational models were matched well with previous models, which justify our computational approach. ASS tended to increase linearly with respect to inlet velocity and dynamic viscosity, whereas permeability was almost the same. Finally, the developed model nicely predicted the ASS values that had been directly estimated from computational fluid dynamics (CFD). The present computational models will provide new tools for predicting accurate functional properties and designing fibrous porous materials, thereby significantly advancing tissue engineering. Copyright © 2017 Elsevier B.V. All rights reserved.

Pressure sensitivity of low permeability sandstones

USGS Publications Warehouse

Kilmer, N.H.; Morrow, N.R.; Pitman, Janet K.

1987-01-01

Detailed core analysis has been carried out on 32 tight sandstones with permeabilities ranging over four orders of magnitude (0.0002 to 4.8 mD at 5000 psi confining pressure). Relationships between gas permeability and net confining pressure were measured for cycles of loading and unloading. For some samples, permeabilities were measured both along and across bedding planes. Large variations in stress sensitivity of permeability were observed from one sample to another. The ratio of permeability at a nominal confining pressure of 500 psi to that at 5000 psi was used to define a stress sensitivity ratio. For a given sample, confining pressure vs permeability followed a linear log-log relationship, the slope of which provided an index of pressure sensitivity. This index, as obtained for first unloading data, was used in testing relationships between stress sensitivity and other measured rock properties. Pressure sensitivity tended to increase with increase in carbonate content and depth, and with decrease in porosity, permeability and sodium feldspar. However, scatter in these relationships increased as permeability decreased. Tests for correlations between pressure sensitivity and various linear combinations of variables are reported. Details of pore structure related to diagenetic changes appears to be of much greater significance to pressure sensitivity than mineral composition. ?? 1987.

Non steady-state descriptions of drug permeation through stratum corneum. I. The biphasic brick-and-mortar model.

PubMed

Heisig, M; Lieckfeldt, R; Wittum, G; Mazurkevich, G; Lee, G

1996-03-01

The diffusion equation should be solved for the non-steady-state problem of drug diffusion within a two-dimensional, biphasic stratum corneum membrane having homogeneous lipid and corneocyte phases. A numerical method was developed for a brick-and-mortar SC-geometry, enabling an explicit solution for time-dependent drug concentration within both phases. The lag time and permeability were calculated. It is shown how the barrier property of this model membrane depends on relative phase permeability, corneocyte alignment, and corneocyte-lipid partition coefficient. Additionally, the time-dependent drug concentration profiles within the membrane can be observed during the lag and steady-state phases. The model SC-membrane predicts, from purely morphological principles, lag times and permeabilities that are in good agreement with experimental values. The long lag times and very small permeabilities reported for human SC can only be predicted for a highly-staggered corneocyte geometry and corneocytes that are 1000 times less permeable than the lipid phase. Although the former conclusion is reasonable, the latter is questionable. The elongated, flattened corneocyte shape renders lag time and permeability insensitive to large changes in their alignment within the SC. Corneocyte/lipid partitioning is found to be fundamentally different to SC/donor partitioning, since increasing drug lipophilicity always reduces both lag time and permeability.

Effects of reduction in porosity and permeability with depth on storage capacity and injectivity in deep saline aquifers: A case study from the Mount Simon Sandstone aquifer

USGS Publications Warehouse

Medina, C.R.; Rupp, J.A.; Barnes, D.A.

2011-01-01

The Upper Cambrian Mount Simon Sandstone is recognized as a deep saline reservoir that has significant potential for geological sequestration in the Midwestern region of the United States. Porosity and permeability values collected from core analyses in rocks from this formation and its lateral equivalents in Indiana, Kentucky, Michigan, and Ohio indicate a predictable relationship with depth owing to a reduction in the pore structure due to the effects of compaction and/or cementation, primarily as quartz overgrowths. The regional trend of decreasing porosity with depth is described by the equation: ??(d)=16.36??e-0.00039*d, where ?? is the porosity and d is the depth in m. The decrease of porosity with depth generally holds true on a basinwide scale. Bearing in mind local variations in lithologic and petrophysical character within the Mount Simon Sandstone, the source data that were used to predict porosity were utilized to estimate the pore volume available within the reservoir that could potentially serve as storage space for injected CO2. The potential storage capacity estimated for the Mount Simon Sandstone in the study area, using efficiency factors of 1%, 5%, 10%, and 15%, is 23,680, 118,418, 236,832, and 355,242 million metric tons of CO2, respectively. ?? 2010 Elsevier Ltd.

Permeability-porosity relationships of subduction zone sediments

USGS Publications Warehouse

Gamage, Kusali; Screaton, Elizabeth; Bekins, B.; Aiello, I.

2011-01-01

Permeability-porosity relationships for sediments from the northern Barbados, Costa Rica, Nankai, and Peru subduction zones were examined based on sediment type, grain size distribution, and general mechanical and chemical compaction history. Greater correlation was observed between permeability and porosity in siliciclastic sediments, diatom oozes, and nannofossil chalks than in nannofossil oozes. For siliciclastic sediments, grouping of sediments by percentage of clay-sized material yields relationships that are generally consistent with results from other marine settings and suggests decreasing permeability as percentage of clay-sized material increases. Correction of measured porosities for smectite content improved the correlation of permeability-porosity relationships for siliciclastic sediments and diatom oozes. The relationship between permeability and porosity for diatom oozes is very similar to the relationship in siliciclastic sediments, and permeabilities of both sediment types are related to the amount of clay-size particles. In contrast, nannofossil oozes have higher permeability values by 1.5 orders of magnitude than siliciclastic sediments of the same porosity and show poor correlation between permeability and porosity. More indurated calcareous sediments, nannofossil chalks, overlap siliciclastic permeabilities at the lower end of their measured permeability range, suggesting similar consolidation patterns at depth. Thus, the lack of correlation between permeability and porosity for nannofossil oozes is likely related to variations in mechanical and chemical compaction at shallow depths. This study provides the foundation for a much-needed global database with fundamental properties that relate to permeability in marine settings. Further progress in delineating controls on permeability requires additional carefully documented permeability measurements on well-characterized samples. ?? 2010 Elsevier B.V.

Studying the Variation in Gas Permeability of Porous Building Substrates

NASA Astrophysics Data System (ADS)

Townsend, L.; Savidge, C. R.; Hu, L.; Rizzo, D. M.; Hayden, N. J.; Dewoolkar, M.

2009-12-01

Understanding permeability of building materials is important for problems involving studies of contaminant transport. Examples include contamination from fire, acid rain, and chemical and biological weapons. Our research investigates the gas permeability of porous building substrates such as concretes, limestones, sandstones, and bricks. Each sample was cored to produce 70 mm (2.75”) diameter cores approximately 75-130 mm (3-5”) tall. The surface gas permeability was measured on the top surface of these specimens using the AutoScan II device manufactured by New England Research, Inc. The measurements were taken along a 3 mm grid producing a map of surface gas permeability. An example map is shown in Figure 1. The macroscopic measurements were performed along the entire cored specimen. A second set of measurements were made on a 5 mm thick slice cut from the top of each specimen to examine whether these measurements compare better with the surface measurements. The macroscopic gas permeability was measured for all specimens using ASTM D 4525. The results are summarized in Table 1. In general, the surface and macroscopic gas permeability measurements (Table 1) compare reasonably well (within one order of magnitude). The permeability of the 5 mm slices is not significantly different from the entire core for the specimens tested. Figure 1. Results of surface permeability mappingof Ohio Sandstone using the AutoScan II device. a) Map of gas permeability b) Range of gas permeability c) Density function of permeability. Table 1. Gas permeability values (mD)

Estimation of the minimum permeability coefficient in rats for perfusion-limited tissue distribution in whole-body physiologically-based pharmacokinetics.

PubMed

Jeong, Yoo-Seong; Yim, Chang-Soon; Ryu, Heon-Min; Noh, Chi-Kyoung; Song, Yoo-Kyung; Chung, Suk-Jae

2017-06-01

The objective of the current study was to determine the minimum permeability coefficient, P, needed for perfusion-limited distribution in PBPK. Two expanded kinetic models, containing both permeability and perfusion terms for the rate of tissue distribution, were considered: The resulting equations could be simplified to perfusion-limited distribution depending on tissue permeability. Integration plot analyses were carried out with theophylline in 11 typical tissues to determine their apparent distributional clearances and the model-dependent permeabilities of the tissues. Effective surface areas were calculated for 11 tissues from the tissue permeabilities of theophylline and its PAMPA P. Tissue permeabilities of other drugs were then estimated from their PAMPA P and the effective surface area of the tissues. The differences between the observed and predicted concentrations, as expressed by the sum of squared log differences with the present models were at least comparable to or less than the values obtained using the traditional perfusion-limited distribution model for 24 compounds with diverse PAMPA P values. These observations suggest that the use of a combination of the proposed models, PAMPA P and the effective surface area can be used to reasonably predict the pharmacokinetics of 22 out of 24 model compounds, and is potentially applicable to calculating the kinetics for other drugs. Assuming that the fractional distribution parameter of 80% of the perfusion rate is a reasonable threshold for perfusion-limited distribution in PBPK, our theoretical prediction indicates that the pharmacokinetics of drugs having an apparent PAMPA P of 1×10 -6 cm/s or more will follow the traditional perfusion-limited distribution in PBPK for major tissues in the body. Copyright © 2017 Elsevier B.V. All rights reserved.

General Platform for Systematic Quantitative Evaluation of Small-Molecule Permeability in Bacteria

PubMed Central

2015-01-01

The chemical features that impact small-molecule permeability across bacterial membranes are poorly understood, and the resulting lack of tools to predict permeability presents a major obstacle to the discovery and development of novel antibiotics. Antibacterials are known to have vastly different structural and physicochemical properties compared to nonantiinfective drugs, as illustrated herein by principal component analysis (PCA). To understand how these properties influence bacterial permeability, we have developed a systematic approach to evaluate the penetration of diverse compounds into bacteria with distinct cellular envelopes. Intracellular compound accumulation is quantitated using LC-MS/MS, then PCA and Pearson pairwise correlations are used to identify structural and physicochemical parameters that correlate with accumulation. An initial study using 10 sulfonyladenosines in Escherichia coli, Bacillus subtilis, and Mycobacterium smegmatis has identified nonobvious correlations between chemical structure and permeability that differ among the various bacteria. Effects of cotreatment with efflux pump inhibitors were also investigated. This sets the stage for use of this platform in larger prospective analyses of diverse chemotypes to identify global relationships between chemical structure and bacterial permeability that would enable the development of predictive tools to accelerate antibiotic drug discovery. PMID:25198656

Permeability of the blood-brain barrier predicts conversion from optic neuritis to multiple sclerosis.

PubMed

Cramer, Stig P; Modvig, Signe; Simonsen, Helle J; Frederiksen, Jette L; Larsson, Henrik B W

2015-09-01

Optic neuritis is an acute inflammatory condition that is highly associated with multiple sclerosis. Currently, the best predictor of future development of multiple sclerosis is the number of T2 lesions visualized by magnetic resonance imaging. Previous research has found abnormalities in the permeability of the blood-brain barrier in normal-appearing white matter of patients with multiple sclerosis and here, for the first time, we present a study on the capability of blood-brain barrier permeability in predicting conversion from optic neuritis to multiple sclerosis and a direct comparison with cerebrospinal fluid markers of inflammation, cellular trafficking and blood-brain barrier breakdown. To this end, we applied dynamic contrast-enhanced magnetic resonance imaging at 3 T to measure blood-brain barrier permeability in 39 patients with monosymptomatic optic neuritis, all referred for imaging as part of the diagnostic work-up at time of diagnosis. Eighteen healthy controls were included for comparison. Patients had magnetic resonance imaging and lumbar puncture performed within 4 weeks of onset of optic neuritis. Information on multiple sclerosis conversion was acquired from hospital records 2 years after optic neuritis onset. Logistic regression analysis showed that baseline permeability in normal-appearing white matter significantly improved prediction of multiple sclerosis conversion (according to the 2010 revised McDonald diagnostic criteria) within 2 years compared to T2 lesion count alone. There was no correlation between permeability and T2 lesion count. An increase in permeability in normal-appearing white matter of 0.1 ml/100 g/min increased the risk of multiple sclerosis 8.5 times whereas having more than nine T2 lesions increased the risk 52.6 times. Receiver operating characteristic curve analysis of permeability in normal-appearing white matter gave a cut-off of 0.13 ml/100 g/min, which predicted conversion to multiple sclerosis with a sensitivity of 88% and specificity of 72%. We found a significant correlation between permeability and the leucocyte count in cerebrospinal fluid as well as levels of CXCL10 and MMP9 in the cerebrospinal fluid. These findings suggest that blood-brain barrier permeability, as measured by magnetic resonance imaging, may provide novel pathological information as a marker of neuroinflammation related to multiple sclerosis, to some extent reflecting cellular permeability of the blood-brain barrier, whereas T2 lesion count may more reflect the length of the subclinical pre-relapse phase.See Naismith and Cross (doi:10.1093/brain/awv196) for a scientific commentary on this article. © The Author (2015). Published by Oxford University Press on behalf of the Guarantors of Brain.

Control of the permeability of fractures in geothermal rocks

NASA Astrophysics Data System (ADS)

Faoro, Igor

This thesis comprises three journal articles that will be submitted for publication (Journal of Geophysical Research-Solid Earth). Their respective titles are: "Undrained through Drained Evolution of Permeability in Dual Permeability Media" by Igor Faoro, Derek Elsworth and Chris Marone, "Evolution of Stiffness and Permeability in Fractures Subject to Thermally-and Mechanically-Activated Dissolution" by Igor Faoro, Derek Elsworth Chris Marone; "Linking permeability and mechanical damage for basalt from Mt. Etna volcano (Italy)" by Igor Faoro, Sergio Vinciguerra, Chris Marone and Derek Elsworth. Undrained through Drained Evolution of Permeability in Dual Permeability Media: temporary permeability changes of fractured aquifers subject to earthquakes have been observed and recorded worldwide, but their comprehension still remains a complex issue. In this study we report on flow-through fracture experiments on cracked westerly cores that reproduce, at laboratory scale, those (steps like) permeability changes that have been recorded when earthquakes occur. In particular our experiments show that under specific test boundary conditions, rapid increments of pore pressure induce transient variations of flow rate of the fracture whose peak magnitudes decrease as the variations of the effective stresses increase. We identify that the observed hydraulic behavior of the fracture is due to two principal mechanisms of origin; respectively mechanical (shortening of core) and poro-elastic (radial diffusion of the pore fluid into the matrix of the sample) whose interaction cause respectively an instantaneous opening and then a progressive closure of the fracture. Evolution of Stiffness and Permeability in Fractures Subject to Thermally-and Mechanically-Activated Dissolution: we report the results of radial flow-through experiments conducted on heated samples of Westerly granite. These experiments are performed to examine the influence of thermally and mechanically activated dissolution on the mechanical (stiffness) and transport (stress-permeability) characteristics of fractures. The sample is thermally stressed to 80 °C and measurements of the constrained axial stress acting on the sample and of the flow rate of the fracture are recorded with time. Net efflux of dissolved mineral mass is also measured periodically to provide a record of rates of net mass removal. During the experiment the fracture permeability shows high sensitivity to the changing conditions of stress and temperature but no significant permanent variation of permeability have been recorded once the thermal cycle ends. Linking permeability and mechanical damage for basalt from Mt. Etna volcano (Italy): volcanic edifices, such as Mt. Etna volcano (Italy), are affected from repeated episodes of pressurization due to magma emplacement from deep reservoirs to shallow depths. This mechanism pressurizes the large aquifers within the edifice and increases the level of crack damage within the rocks of the edifice over extended periods of times. In order to improve our understanding of the complex coupling between circulating fluids and the development of crack damage we performed flow-through tests using cylindrical cores of Etna Basalt (Etna, Italy) cyclically loaded either by constant increments of the principal stress: sigma1 (deviatoric condition), or by increments of the effective confining pressure: sigma1 = sigma 2 = sigma3 (isostatic conditions). Under hydrostatic stresses, the permeability values of the intact sample decrease linearly with the increments of pressure and range between 5.2*10-17 m2 and 1.5*10-17m2. At deviatoric stresses (up to 60 MPa) the permeability from the initial value of 5*10-17 m2 slightly decays to the minimum value of 2*10 -17 m2 observed when the axial deviatoric stresses range between 40 MPa and 60 MPa. For higher deviatoric stresses, increases to 10-16 m2 are then observed up to the peak stress at 92 MPa. After failure the permeability persisted steady at the value of 8*10-16 m2 for the whole duration of the test, independently from the applied stress. We interpreted the decrease observed as due to the progressive closure of the voids space, as the axial load is incremented.

Oral Delivery of Lipophilic Drugs: The Tradeoff between Solubility Increase and Permeability Decrease When Using Cyclodextrin-Based Formulations

PubMed Central

Beig, Avital; Agbaria, Riad; Dahan, Arik

2013-01-01

The purpose of this study was to investigate the impact of oral cyclodextrin-based formulation on both the apparent solubility and intestinal permeability of lipophilic drugs. The apparent solubility of the lipophilic drug dexamethasone was measured in the presence of various HPβCD levels. The drug’s permeability was measured in the absence vs. presence of HPβCD in the rat intestinal perfusion model, and across Caco-2 cell monolayers. The role of the unstirred water layer (UWL) in dexamethasone’s absorption was studied, and a simplified mass-transport analysis was developed to describe the solubility-permeability interplay. The PAMPA permeability of dexamethasone was measured in the presence of various HPβCD levels, and the correlation with the theoretical predictions was evaluated. While the solubility of dexamethasone was greatly enhanced by the presence of HPβCD (K1∶1 = 2311 M−1), all experimental models showed that the drug’s permeability was significantly reduced following the cyclodextrin complexation. The UWL was found to have no impact on the absorption of dexamethasone. A mass transport analysis was employed to describe the solubility-permeability interplay. The model enabled excellent quantitative prediction of dexamethasone’s permeability as a function of the HPβCD level. This work demonstrates that when using cyclodextrins in solubility-enabling formulations, a tradeoff exists between solubility increase and permeability decrease that must not be overlooked. This tradeoff was found to be independent of the unstirred water layer. The transport model presented here can aid in striking the appropriate solubility-permeability balance in order to achieve optimal overall absorption. PMID:23874557

Deepwater Gulf of Mexico turbidites -- Compaction effects on porosity and permeability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ostermeier, R.M.

1995-06-01

The deepwater Gulf of Mexico is now a major area of activity for the US oil industry. Compaction causes particular concern because most prospective deepwater reservoirs are highly geo-pressured and many have limited aquifer support; water injection may also be problematic. To address some of the issues associated with compaction, the authors initiated a special core-analysis program to study compaction effects on turbidite sand porosity and permeability specifically. This program also addressed a number of subsidiary but no less important issues, such as sample characterization and quality, sample preparation, and test procedures. These issues are particularly pertinent, because Gulf ofmore » Mexico turbidites are generally unconsolidated, loose sands, and are thus susceptible to a whole array of potentially serious core-disturbing processes. One key result of the special core analysis program is that turbidite compressibilities exhibit large variations in both magnitude and stress dependence. These variations correlate with creep response in the laboratory measurements. The effects of compaction on permeability are significant. To eliminate complicating effects caused by fines movement, the authors made oil flow measurements at initial water saturation. The measurements indicate compaction reduces permeability four to five times more than porosity on a relative basis.« less

Subsurface storage of freshwater in South Florida; a digital analysis of recoverability

USGS Publications Warehouse

Merritt, Michael L.

1983-01-01

As part of a feasibility study of cyclic freshwater injection, digital models were implemented to analyze the relation of recovery efficiency to various hydrogeologic conditions which could prevail in brackish aquifers and to various management regimes. The analyses implemented an approach in which the control for sensitivity testing was a hypothetical aquifer representative of potential injection zones in south Florida, and parameter variations in sensitivity tests represented possible variations in aquifer conditions in the area. The permeability of the aquifer determined whether buoyancy stratification could reduce recovery efficiency. The range of permeability leading to buoyancy stratification became lower as resident fluid salinity increased. Thus, recovery efficiency was optimized by both low permeability and low resident fluid density. High levels of simulated hydrodynamic dispersion led to the lowest estimates of recovery efficiency. Advection by regional flow within the artesian injection zone could significantly affect recovery efficiency, depending upon the storage period, the volume injected, and site-specific hydraulic characteristics. Recovery efficiency was unrelated to the rate of injection or withdrawal or to the degree of penetration of permeable layers, and improved with successive cycles of injection and recovery. (USGS)

Pore-scale lattice Boltzmann simulation of micro-gaseous flow considering surface diffusion effect

DOE PAGES

Wang, Junjian; Kang, Qinjun; Chen, Li; ...

2016-11-21

Some recent studies have shown that adsorbed gas and its surface diffusion have profound influence on micro-gaseous flow through organic pores in shale gas reservoirs. Here, a multiple-relaxation-time (MRT) LB model is adopted to estimate the apparent permeability of organic shale and a new boundary condition, which combines Langmuir adsorption theory with Maxwellian diffusive reflection boundary condition, is proposed to capture gas slip and surface diffusion of adsorbed gas. The simulation results match well with previous studies carried out using Molecular Dynamics (MD) and show that Maxwell slip boundary condition fails to characterize gas transport in the near wall regionmore » under the influence of the adsorbed gas. The total molar flux can be either enhanced or reduced depending on variations in adsorbed gas coverage and surface diffusion velocity. The effects of pore width, pressure as well as Langmuir properties on apparent permeability of methane transport in organic pores are further studied. It is found that the surface transport plays a significant role in determining the apparent permeability, and the variation of apparent permeability with pore size and pressure is affected by the adsorption and surface diffusion.« less

Concentration gradient along the scala tympani after local application of gentamicin to the round window membrane.

PubMed

Plontke, Stefan K; Mynatt, Robert; Gill, Ruth M; Borgmann, Stefan; Salt, Alec N

2007-07-01

The distribution of gentamicin along the fluid spaces of the cochlea after local applications has never previously been demonstrated. Computer simulations have predicted that significant basal-apical concentration gradients might be expected, and histologic studies indicate that hair cell damage is greater at the base than at the apex after local gentamicin application. In the present study, gradients of gentamicin along the cochlea were measured. A recently developed method of sampling perilymph from the cochlear apex of guinea pigs was used in which the samples represent fluid originating from different regions along the scala tympani. Gentamicin concentration was determined in sequential apical samples that were taken after up to 3 hours of local application to the round window niche. Substantial gradients of gentamicin along the length of the scala tympani were demonstrated and quantified, averaging more than 4,000 times greater concentration at the base compared with the apex at the time of sampling. Peak concentrations and gradients for gentamicin varied considerably between animals, likely resulting from variations in round window membrane permeability and rates of perilymph flow. The large gradients for gentamicin demonstrated here in guinea pigs account for how it is possible to suppress vestibular function in some patients with a local application of gentamicin without damaging auditory function. Variations in round window membrane permeability and in perilymph flow could account for why hearing losses are observed in some patients.

Concentration gradient along scala tympani following the local application of gentamicin to the round window membrane

PubMed Central

Plontke, Stefan K.; Mynatt, Robert; Gill, Ruth M.; Borgmann, Stefan; Salt, Alec N.

2008-01-01

Objectives The distribution of gentamicin along the fluid spaces of the cochlea following local applications has never previously been demonstrated. Computer simulations have predicted that significant basal-apical concentration gradients might be expected and histological studies indicate that hair cell damage is greater at the base than at the apex following local gentamicin application. In the present study, gradients of gentamicin along the cochlea were measured. Methods A recently-developed method of sampling perilymph from the cochlear apex of guinea pigs was used, in which the samples represent fluid originating from different regions along scala tympani. Gentamicin concentration was determined in sequential apical samples which were taken following up to three hours of local application to the round window niche. Results Substantial gradients of gentamicin along the length of scala tympani were demonstrated and quantified, averaging more than 4000 times greater concentration at the base compared to the apex at the time of sampling. Peak concentrations and gradients for gentamicin varied considerably between animals, likely resulting from variations in round window membrane permeability and rates of perilymph flow. Conclusions The large gradients for gentamicin demonstrated here in guinea pigs account for how it is possible to suppress vestibular function in some patients with a local application of gentamicin without damaging auditory function. Variations in round window membrane permeability and in perilymph flow could account for why hearing losses are observed in some patients. PMID:17603318

Non-monotonic permeability variation during colloidal transport: Governing equations and analytical model

NASA Astrophysics Data System (ADS)

Chequer, L.; Russell, T.; Behr, A.; Genolet, L.; Kowollik, P.; Badalyan, A.; Zeinijahromi, A.; Bedrikovetsky, P.

2018-02-01

Permeability decline associated with the migration of natural reservoir fines impairs the well index of injection and production wells in aquifers and oilfields. In this study, we perform laboratory corefloods using aqueous solutions with different salinities in engineered rocks with different kaolinite content, yielding fines migration and permeability alteration. Unusual permeability growth has been observed at high salinities in rocks with low kaolinite concentrations. This has been attributed to permeability increase during particle detachment and re-attachment of already mobilised fines by electrostatic attraction to the rock in stagnant zones of the porous space. We refine the traditional model for fines migration by adding mathematical expressions for the particle re-attachment rate, particle detachment with delay relative to salinity decrease, and the attached-concentration-dependency of permeability. A one-dimensional flow problem that accounts for those three effects allows for an exact analytical solution. The modified model captures the observed effect of permeability increase at high water salinities in rocks with low kaolinite concentrations. The developed model matches the coreflooding data with high accuracy, and the obtained model coefficients vary within their usual intervals.

A multi-state magnetic memory dependent on the permeability of Metglas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petrie, J. R.; Wieland, K. A.; Timmerwilke, J. M.

A three-state magnetic memory was developed based on differences in the magnetic permeability of a soft ferromagnetic media, Metglas 2826MB (Fe{sub 40}Ni{sub 38}Mo{sub 4}B{sub 18}). By heating bits of a 250 nm thick Metglas film with 70–100 mW of laser power, we were able to tune the local microstructure, and hence, the permeability. Ternary memory states were created by using lower laser power to enhance the initial permeability through localized atomic rearrangement and higher power to reduce the permeability through crystallization. The permeability of the bits was read by detecting variations in an external 32 Oe probe field within 10 μm ofmore » the media via a magnetic tunnel junction read head. Compared to data based on remanent magnetization, these multi-permeability bits have enhanced insensitivity to unexpected field and temperature changes. We found that data was not corrupted after exposure to fields of 1 T or temperatures of 423 K, indicating the effectiveness of this multi-state approach for safely storing large amounts of data.« less

Extra permeability is required to model dynamic oxygen measurements: evidence for functional recruitment?

PubMed Central

Barrett, Matthew JP; Suresh, Vinod

2013-01-01

Neural activation triggers a rapid, focal increase in blood flow and thus oxygen delivery. Local oxygen consumption also increases, although not to the same extent as oxygen delivery. This ‘uncoupling' enables a number of widely-used functional neuroimaging techniques; however, the physiologic mechanisms that govern oxygen transport under these conditions remain unclear. Here, we explore this dynamic process using a new mathematical model. Motivated by experimental observations and previous modeling, we hypothesized that functional recruitment of capillaries has an important role during neural activation. Using conventional mechanisms alone, the model predictions were inconsistent with in vivo measurements of oxygen partial pressure. However, dynamically increasing net capillary permeability, a simple description of functional recruitment, led to predictions consistent with the data. Increasing permeability in all vessel types had the same effect, but two alternative mechanisms were unable to produce predictions consistent with the data. These results are further evidence that conventional models of oxygen transport are not sufficient to predict dynamic experimental data. The data and modeling suggest that it is necessary to include a mechanism that dynamically increases net vascular permeability. While the model cannot distinguish between the different possibilities, we speculate that functional recruitment could have this effect in vivo. PMID:23673433

Influence of Turbulent Flow and Fractal Scaling on Effective Permeability of Fracture Network

NASA Astrophysics Data System (ADS)

Zhu, J.

2017-12-01

A new approach is developed to calculate hydraulic gradient dependent effective permeability of a fractal fracture network where both laminar and turbulent flows may occur in individual fractures. A critical fracture length is used to distinguish flow characteristics in individual fractures. The developed new solutions can be used for the case of a general scaling relationship, an extension to the linear scaling. We examine the impact on the effective permeability of the network of fractal fracture network characteristics, which include the fractal scaling coefficient and exponent, fractal dimension, ratio of minimum over maximum fracture lengths. Results demonstrate that the developed solution can explain more variations of the effective permeability in relation to the fractal dimensions estimated from the field observations. At high hydraulic gradient the effective permeability decreases with the fractal scaling exponent, but increases with the fractal scaling exponent at low gradient. The effective permeability increases with the scaling coefficient, fractal dimension, fracture length ratio and maximum fracture length.

Biopharmaceutics permeability classification of lorcaserin, a selective 5-hydroxytryptamine 2C agonist: method suitability and permeability class membership.

PubMed

Chen, Chuan; Ma, Michael G; Fullenwider, Cody L; Chen, Weichao G; Sadeque, Abu J M

2013-12-02

The objectives of the study were (1) to demonstrate that a Caco-2 cell-based permeability assay, developed in our laboratory, is suitable to identify the permeability classification according to the US Food and Drug Administration Biopharmaceutics Classification System guidance, and (2) to use the validated Caco-2 method to determine permeability class membership of lorcaserin. Lorcaserin, marketed in United States as Belviq, is a selective human 5-hydroxytryptamine 2C agonist used for weight management. First, the permeability of twenty commercially available drugs was determined in the apical-to-basolateral direction at a final concentration of 10 μM, with the pH of transporter buffer in the apical and basolateral compartments being 6.8 and 7.4, respectively. A rank-order relationship between in vitro permeability results and the extent of human intestinal absorption for the drugs tested was observed. Second, the apparent permeability coefficient values of lorcaserin at 2, 20, and 200 μM and apical pH values of 6.8 and 7.4 in the apical-to-basolateral direction were determined using the validated method and found to be comparable to those of the high-permeability internal standard metoprolol. Lorcaserin permeability across Caco-2 cell monolayers was not dependent on the variation of apical pH. Furthermore, lorcaserin was not a substrate for efflux transporters such as P-glycoprotein. In conclusion, using the validated Caco-2 permeability assay, it was shown that lorcaserin is a highly permeable compound.

Fractured Rock Permeability as a Function of Temperature and Confining Pressure

NASA Astrophysics Data System (ADS)

Alam, A. K. M. Badrul; Fujii, Yoshiaki; Fukuda, Daisuke; Kodama, Jun-ichi; Kaneko, Katsuhiko

2015-10-01

Triaxial compression tests were carried out on Shikotsu welded tuff, Kimachi sandstone, and Inada granite under confining pressures of 1-15 MPa at 295 and 353 K. The permeability of the tuff declined monotonically with axial compression. The post-compression permeability became smaller than that before axial compression. The permeability of Kimachi sandstone and Inada granite declined at first, then began to increase before the peak load, and showed values that were almost constant in the residual strength state. The post-compression permeability of Kimachi sandstone was higher than that before axial compression under low confining pressures, but lower under higher confining pressures. On the other hand, the permeability of Inada granite was higher than that before axial compression regardless of the confining pressure values. For the all rock types, the post-compression permeability at 353 K was lower than at 295 K and the influence of the confining pressure was less at 353 K than at 295 K. The above temperature effects were observed apparently for Inada granite, only the latter effect was apparent for Shikotsu welded tuff, and they were not so obvious for Kimachi sandstone. The mechanisms causing the variation in rock permeability and sealability of underground openings were discussed.

An intelligent detecting system for permeability prediction of MBR.

PubMed

Han, Honggui; Zhang, Shuo; Qiao, Junfei; Wang, Xiaoshuang

2018-01-01

The membrane bioreactor (MBR) has been widely used to purify wastewater in wastewater treatment plants. However, a critical difficulty of the MBR is membrane fouling. To reduce membrane fouling, in this work, an intelligent detecting system is developed to evaluate the performance of MBR by predicting the membrane permeability. This intelligent detecting system consists of two main parts. First, a soft computing method, based on the partial least squares method and the recurrent fuzzy neural network, is designed to find the nonlinear relations between the membrane permeability and the other variables. Second, a complete new platform connecting the sensors and the software is built, in order to enable the intelligent detecting system to handle complex algorithms. Finally, the simulation and experimental results demonstrate the reliability and effectiveness of the proposed intelligent detecting system, underlying the potential of this system for the online membrane permeability for detecting membrane fouling of MBR.

Fault Damage Zone Permeability in Crystalline Rocks from Combined Field and Laboratory Measurements: Can we Predict Damage Zone Permeability?

NASA Astrophysics Data System (ADS)

Mitchell, T. M.; Faulkner, D. R.

2009-04-01

Models predicting crustal fluid flow are important for a variety of reasons; for example earthquake models invoking fluid triggering, predicting crustal strength modelling flow surrounding deep waste repositories or the recovery of natural resources. Crustal fluid flow is controlled by both the bulk transport properties of rocks as well as heterogeneities such as faults. In nature, permeability is enhanced in the damage zone of faults, where fracturing occurs on a wide range of scales. Here we analyze the contribution of microfracture damage on the permeability of faults that cut through low porosity, crystalline rocks by combining field and laboratory measurements. Microfracture densities surrounding strike-slip faults with well-constrained displacements ranging over 3 orders of magnitude (~0.12 m - 5000 m) have been analyzed. The faults studied are excellently exposed within the Atacama Fault Zone, where exhumation from 6-10 km has occurred. Microfractures in the form of fluid inclusion planes (FIPs) show a log-linear decrease in fracture density with perpendicular distance from the fault core. Damage zone widths defined by the density of FIPs scale with fault displacement, and an empirical relationship for microfracture density distribution throughout the damage zone with displacement is derived. Damage zone rocks will have experienced differential stresses that were less than, but some proportion of, the failure stress. As such, permeability data from progressively loaded, initially intact laboratory samples, in the pre-failure region provide useful insights into fluid flow properties of various parts of the damage zone. The permeability evolution of initially intact crystalline rocks under increasing differential load leading to macroscopic failure was determined at water pore pressures of 50 MPa and effective pressure of 10 MPa. Permeability is seen to increase by up to, and over, two orders of magnitude prior to macroscopic failure. Further experiments were stopped at various points in the loading history in order to correlate microfracture density within the samples with permeability. By combining empirical relationships determined from both quantitative fieldwork and experiments we present a new model that allows microfracture permeability distribution throughout the damage zone to be determined as function of increasing fault displacement.

Influence of fiber packing structure on permeability

NASA Technical Reports Server (NTRS)

Cai, Zhong; Berdichevsky, Alexander L.

1993-01-01

The study on the permeability of an aligned fiber bundle is the key building block in modeling the permeability of advanced woven and braided preforms. Available results on the permeability of fiber bundles in the literature show that a substantial difference exists between numerical and analytical calculations on idealized fiber packing structures, such as square and hexagonal packing, and experimental measurements on practical fiber bundles. The present study focuses on the variation of the permeability of a fiber bundle under practical process conditions. Fiber bundles are considered as containing openings and fiber clusters within the bundle. Numerical simulations on the influence of various openings on the permeability were conducted. Idealized packing structures are used, but with introduced openings distributed in different patterns. Both longitudinal and transverse flow are considered. The results show that openings within the fiber bundle have substantial effect on the permeability. In the longitudinal flow case, the openings become the dominant flow path. In the transverse flow case, the fiber clusters reduce the gap sizes among fibers. Therefore the permeability is greatly influenced by these openings and clusters, respectively. In addition to the porosity or fiber volume fraction, which is commonly used in the permeability expression, another fiber bundle status parameter, the ultimate fiber volume fraction, is introduced to capture the disturbance within a fiber bundle.

The Terminology of Fault Zones in the Brittle Regime: Making Field Observations More Useful to the End User

NASA Astrophysics Data System (ADS)

Shipton, Z.; Caine, J. S.; Lunn, R. J.

2013-12-01

Geologists are tiny creatures living on the 2-and-a-bit-D surface of a sphere who observe essentially 1D vanishingly small portions (boreholes, roadcuts, stream and beach sections) of complex, 4D tectonic-scale structures. Field observations of fault zones are essential to understand the processes of fault growth and to make predictions of fault zone mechanical and hydraulic properties at depth. Here, we argue that a failure of geologists to communicate their knowledge effectively to other scientists/engineers can lead to unrealistic assumptions being made about fault properties, and may result in poor economic performance and a lack of robustness in industrial safety cases. Fault zones are composed of many heterogeneously distributed deformation-related elements. Low permeability features include regions of intense grain-size reduction, pressure solution, cementation and shale smears. Other elements are likely to have enhanced permeability through fractures and breccias. Slip surfaces can have either enhanced or reduced permeability depending on whether they are open or closed, and the local stress state. The highly variable nature of 1) the architecture of faults and 2) the properties of deformation-related elements demonstrates that there are many factors controlling the evolution of fault zone internal structures (fault architecture). The aim of many field studies of faults is to provide data to constrain predictions at depth. For these data to be useful, pooling of data from multiple sites is usually necessary. This effort is frequently hampered by variability in the usage of fault terminologies. In addition, these terms are often used in ways as to make it easy for 'end-users' such as petroleum reservoir engineers, mining geologists, and seismologists to mis-interpret or over-simplify the implications of field studies. Field geologists are comfortable knowing that if you walk along strike or up dip of a fault zone you will find variations in fault rock type, number and orientations of slip surfaces, variation in fracture density, relays, asperities, variable juxtaposition relationships etc. Problems can arise when "users" of structural geology try to apply models to general cases without understanding that these are simplified models. For example, when a section like the one in Chester and Logan 1996, gets projected infinitely into the third dimension along a fault the size of the San Andreas (seismology), or Shale Gouge Ratios are blindly applied to an Allen diagram without recognising that sub-seismic scale relays may provide "hidden" juxtapositions resulting in fluids bypassing low permeability fault cores. Phrases like 'low-permeability fault core and high-permeabilty damage zone' fail to appreciate fault zone complexity. Internicene arguments over the details of terminology that baffle the "end users" can make detailed field studies that characterise fault heterogeneity seem irrelevant. We argue that the field geology community needs to consider ways to make sure that we educate end-users to appropriate and cautious approaches to use of the data we provide with an appreciation of the uncertainties inherent in our limited ability to characterize 4D, tectonic structures, at the same time as understanding the value of carefully collected field data.

Inclusion of Regional Poroelastic Material Properties Better Predicts Biomechanical Behavior of Lumbar Discs Subjected to Dynamic Loading

PubMed Central

Williams, Jamie R.; Natarajan, Raghu N.; Andersson, Gunnar B.J.

2009-01-01

Understanding the relationship between repetitive lifting and the breakdown of disc tissue over several years of exposure is difficult to study in vivo and in vitro. The aim of this investigation was to develop a three-dimensional poroelastic finite element model of a lumbar motion segment that reflects the biological properties and behaviors of in vivo disc tissues including swelling pressure due to the proteoglycans and strain dependent permeability and porosity. It was hypothesized that when modeling the annulus, prescribing tissue specific material properties will not be adequate for studying the in vivo loading and unloading behavior of the disc. Rather, regional variations of these properties, which are known to exist within the annulus, must also be included. Finite element predictions were compared to in vivo measurements published by Tyrrell et al., (Tyrrell et al., 1985) of percent change in total stature for two loading protocols, short-term creep loading and standing recovery and short-term cyclic loading with standing recovery. The model in which the regional variations of material properties in the annulus had been included provided an overall better prediction of the in vivo behavior as compared to the model in which the annulus properties were assumed to be homogenous. This model will now be used to study the relationship between repetitive lifting and disc degeneration. PMID:17156786

Sharp Permeability Transitions due to Shallow Diagenesis of Subduction Zone Sediments

NASA Astrophysics Data System (ADS)

James, S.; Screaton, E.

2013-12-01

The permeability of hemipelagic sediments is an important factor in fluid flow in subduction zones and can be affected by porosity changes and cementation-dissolution processes acting during diagenesis. Anomalously high porosities have been observed in cores from the Shikoku Basin sediments approaching the Nankai Trough subduction zone. These high porosities have been attributed to the presence of minor amounts of amorphous silica cement that strengthen the sediment and inhibit consolidation. The porosity rapidly drops from 66-68% to 54-56% at a diagenetic boundary where the amorphous silica cement dissolves. Although the anomalous porosity profiles at Nankai have received attention, the magnitude of the corresponding permeability change has not been addressed. In this study, permeability profiles were constructed using permeability-porosity relationships from previous studies, to estimate the magnitude and rate of permeability changes with depth. The predicted permeability profiles for the Nankai Trough sediment cores indicate that permeability drops by almost one order of magnitude across the diagenetic boundary. This abrupt drop in permeability has the potential to facilitate significant changes in pore fluid pressures and thus to influence the deformation of the sediment onto the accretionary prism. At the Costa Rica subduction zone, results vary with location. Site U1414 offshore the Osa Peninsula shows porosities stable at 69% above 145 mbsf and then decrease to 54% over a 40 m interval. A porosity drop of that magnitude is predicted to correlate to an order of magnitude permeability decrease. In contrast, porosity profiles from Site 1039 offshore the Nicoya Peninsula and Site U1381 offshore the Osa Peninsula show anomalously high porosities but no sharp drop. It is likely that sediments do not cross the diagenetic boundary due to the extremely low (<10°C/km) thermal gradient at Site 1039 and the thin (<100 m) sediment cover at Site U1381. At these locations, the porosity loss and permeability reduction may occur after the sediment is subducted and contribute to high pore pressures at the plate boundary.

Model predictions of deformation, embolization and permeability of partially obstructive blood clots under variable shear flow.

PubMed

Xu, Shixin; Xu, Zhiliang; Kim, Oleg V; Litvinov, Rustem I; Weisel, John W; Alber, Mark

2017-11-01

Thromboembolism, one of the leading causes of morbidity and mortality worldwide, is characterized by formation of obstructive intravascular clots (thrombi) and their mechanical breakage (embolization). A novel two-dimensional multi-phase computational model is introduced that describes active interactions between the main components of the clot, including platelets and fibrin, to study the impact of various physiologically relevant blood shear flow conditions on deformation and embolization of a partially obstructive clot with variable permeability. Simulations provide new insights into mechanisms underlying clot stability and embolization that cannot be studied experimentally at this time. In particular, model simulations, calibrated using experimental intravital imaging of an established arteriolar clot, show that flow-induced changes in size, shape and internal structure of the clot are largely determined by two shear-dependent mechanisms: reversible attachment of platelets to the exterior of the clot and removal of large clot pieces. Model simulations predict that blood clots with higher permeability are more prone to embolization with enhanced disintegration under increasing shear rate. In contrast, less permeable clots are more resistant to rupture due to shear rate-dependent clot stiffening originating from enhanced platelet adhesion and aggregation. These results can be used in future to predict risk of thromboembolism based on the data about composition, permeability and deformability of a clot under specific local haemodynamic conditions. © 2017 The Author(s).

Permeability of acetic acid across gel and liquid-crystalline lipid bilayers conforms to free-surface-area theory.

PubMed Central

Xiang, T X; Anderson, B D

1997-01-01

Solubility-diffusion theory, which treats the lipid bilayer membrane as a bulk lipid solvent into which permeants must partition and diffuse across, fails to account for the effects of lipid bilayer chain order on the permeability coefficient of any given permeant. This study addresses the scaling factor that must be applied to predictions from solubility-diffusion theory to correct for chain ordering. The effects of bilayer chemical composition, temperature, and phase structure on the permeability coefficient (Pm) of acetic acid were investigated in large unilamellar vesicles by a combined method of NMR line broadening and dynamic light scattering. Permeability values were obtained in distearoylphosphatidylcholine, dipalmitoylphosphatidylcholine, dimyristoylphosphatidylcholine, and dilauroylphosphatidylcholine bilayers, and their mixtures with cholesterol, at various temperatures both above and below the gel-->liquid-crystalline phase transition temperatures (Tm). A new scaling factor, the permeability decrement f, is introduced to account for the decrease in permeability coefficient from that predicted by solubility-diffusion theory owing to chain ordering in lipid bilayers. Values of f were obtained by division of the observed Pm by the permeability coefficient predicted from a bulk solubility-diffusion model. In liquid-crystalline phases, a strong correlation (r = 0.94) between f and the normalized surface density sigma was obtained: in f = 5.3 - 10.6 sigma. Activation energies (Ea) for the permeability of acetic acid decreased with decreasing phospholipid chain length and correlated with the sensitivity of chain ordering to temperature, [symbol: see text] sigma/[symbol: see text](1/T), as chain length was varied. Pm values decreased abruptly at temperatures below the main phase transition temperatures in pure dipalmitoylphosphatidylcholine and dimyristoylphosphatidylcholine bilayers (30-60-fold) and below the pretransition in dipalmitoylphosphatidylcholine bilayers (8-fold), and the linear relationship between in f and sigma established for liquid-crystalline bilayers was no longer followed. However, in both gel and liquid-crystalline phases in f was found to exhibit an inverse correlation with free surface area (in f = -0.31 - 29.1/af, where af is the average free area (in square angstroms) per lipid molecule). Thus, the lipid bilayer permeability of acetic acid can be predicted from the relevant chain-packing properties in the bilayer (free surface area), regardless of whether chain ordering is varied by changes in temperature, lipid chain length, cholesterol concentration, or bilayer phase structure, provided that temperature effects on permeant dehydration and diffusion and the chain-length effects on bilayer barrier thickness are properly taken into account. PMID:8994607

Computational Modeling and High Performance Computing in Advanced Materials Processing, Synthesis, and Design

DTIC Science & Technology

2014-12-07

parameters of resin viscosity and preform permeability prior to resin gelation. However, there could be significant variations in these two parameters...during actual manufacturing due to differences in the resin batches, mixes, temperature, ambient conditions for viscosity ; in the preform rolls...optimal injection time and locations for given process parameters of resin viscosity and preform permeability prior to resin gelation. However, there

[Study on the influence of bioclogging on permeability of saturated porous media by experiments and models].

PubMed

Yang, Jing; Ye, Shu-jun; Wu, Ji-chun

2011-05-01

This paper studied on the influence of bioclogging on permeability of saturated porous media. Laboratory hydraulic tests were conducted in a two-dimensional C190 sand-filled cell (55 cm wide x 45 cm high x 1.28 cm thick) to investigate growth of the mixed microorganisms (KB-1) and influence of biofilm on permeability of saturated porous media under condition of rich nutrition. Biomass distributions in the water and on the sand in the cell were measured by protein analysis. The biofilm distribution on the sand was observed by confocal laser scanning microscopy. Permeability was measured by hydraulic tests. The biomass levels measured in water and on the sand increased with time, and were highest at the bottom of the cell. The biofilm on the sand at the bottom of the cell was thicker. The results of the hydraulic tests demonstrated that the permeability due to biofilm growth was estimated to be average 12% of the initial value. To investigate the spatial distribution of permeability in the two dimensional cell, three models (Taylor, Seki, and Clement) were used to calculate permeability of porous media with biofilm growth. The results of Taylor's model showed reduction in permeability of 2-5 orders magnitude. The Clement's model predicted 3%-98% of the initial value. Seki's model could not be applied in this study. Conclusively, biofilm growth could obviously decrease the permeability of two dimensional saturated porous media, however, the reduction was much less than that estimated in one dimensional condition. Additionally, under condition of two dimensional saturated porous media with rich nutrition, Seki's model could not be applied, Taylor's model predicted bigger reductions, and the results of Clement's model were closest to the result of hydraulic test.

Lattice Boltzmann simulation of dissolution-induced changes in permeability and porosity in 3D CO2 reactive transport

NASA Astrophysics Data System (ADS)

Tian, Zhiwei; Wang, Junye

2018-02-01

Dissolution and precipitation of rock matrix are one of the most important processes of geological CO2 sequestration in reservoirs. They change connections of pore channels and properties of matrix, such as bulk density, microporosity and hydraulic conductivity. This study builds on a recently developed multi-layer model to account for dynamic changes of microporous matrix that can accurately predict variations in hydraulic properties and reaction rates due to dynamic changes in matrix porosity and pore connectivity. We apply the model to simulate the dissolution and precipitation processes of rock matrix in heterogeneous porous media to quantify (1) the effect of the reaction rate on dissolution and matrix porosity, (2) the effect of microporous matrix diffusion on the overall effective diffusion and (3) the effect of heterogeneity on hydraulic conductivity. The results show the CO2 storage influenced by factors including the matrix porosity change, reaction front movement, velocity and initial properties. We also simulated dissolution-induced permeability enhancement as well as effects of initial porosity heterogeneity. The matrix with very low permeability, which can be unresolved on X-ray CT, do contribute to flow patterns and dispersion. The concentration of reactant H+ increases along the main fracture paths where the flow velocity increases. The product Ca++ shows the inversed distribution pattern against the H+ concentration. This demonstrates the capability of this model to investigate the complex CO2 reactive transport in real 3D heterogeneous porous media.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parra, J.; Collier, H.; Angstman, B.

In low porosity, low permeability zones, natural fractures are the primary source of permeability which affect both production and injection of fluids. The open fractures do not contribute much to porosity, but they provide an increased drainage network to any porosity. An important approach to characterizing the fracture orientation and fracture permeability of reservoir formations is one based upon the effects of such conditions on the propagation of acoustic and seismic waves in the rock. We present the feasibility of using seismic measurement techniques to map the fracture zones between wells spaced 2400 ft at depths of about 1000 ft.more » For this purpose we constructed computer models (which include azimuthal anisotropy) using Lodgepole reservoir parameters to predict seismic signatures recorded at the borehole scale, crosswell scale, and 3 D seismic scale. We have integrated well logs with existing 2D surfaces seismic to produce petrophysical and geological cross sections to determine the reservoir parameters and geometry for the computer models. In particular, the model responses are used to evaluate if surface seismic and crosswell seismic measurements can capture the anisotropy due to vertical fractures. Preliminary results suggested that seismic waves transmitted between two wells will propagate in carbonate fracture reservoirs, and the signal can be received above the noise level at the distance of 2400 ft. In addition, the large velocities contrast between the main fracture zone and the underlying unfractured Boundary Ridge Member, suggested that borehole reflection imaging may be appropriate to map and fracture zone thickness variation and fracture distributions in the reservoir.« less

Predicting Salt Permeability Coefficients in Highly Swollen, Highly Charged Ion Exchange Membranes.

PubMed

Kamcev, Jovan; Paul, Donald R; Manning, Gerald S; Freeman, Benny D

2017-02-01

This study presents a framework for predicting salt permeability coefficients in ion exchange membranes in contact with an aqueous salt solution. The model, based on the solution-diffusion mechanism, was tested using experimental salt permeability data for a series of commercial ion exchange membranes. Equilibrium salt partition coefficients were calculated using a thermodynamic framework (i.e., Donnan theory), incorporating Manning's counterion condensation theory to calculate ion activity coefficients in the membrane phase and the Pitzer model to calculate ion activity coefficients in the solution phase. The model predicted NaCl partition coefficients in a cation exchange membrane and two anion exchange membranes, as well as MgCl 2 partition coefficients in a cation exchange membrane, remarkably well at higher external salt concentrations (>0.1 M) and reasonably well at lower external salt concentrations (<0.1 M) with no adjustable parameters. Membrane ion diffusion coefficients were calculated using a combination of the Mackie and Meares model, which assumes ion diffusion in water-swollen polymers is affected by a tortuosity factor, and a model developed by Manning to account for electrostatic effects. Agreement between experimental and predicted salt diffusion coefficients was good with no adjustable parameters. Calculated salt partition and diffusion coefficients were combined within the framework of the solution-diffusion model to predict salt permeability coefficients. Agreement between model and experimental data was remarkably good. Additionally, a simplified version of the model was used to elucidate connections between membrane structure (e.g., fixed charge group concentration) and salt transport properties.

Spatially Detailed Porosity Prediction From Airborne Electromagnetics and Sparse Borehole Fluid Sampling

NASA Astrophysics Data System (ADS)

Macnae, J.; Ley-Cooper, Y.

2009-05-01

Sub-surface porosity is of importance in estimating fluid contant and salt-load parameters for hydrological modelling. While sparse boreholes may adequately sample the depth to a sub-horizontal water-table and usually also adequately sample ground-water salinity, they do not provide adequate sampling of the spatial variations in porosity or hydraulic permeability caused by spatial variations in sedimentary and other geological processes.. We show in this presentation that spatially detailed porosity can be estimated by applying Archie's law to conductivity estimates from airborne electromagnetic surveys with interpolated ground-water conductivity values. The prediction was tested on data from the Chowilla flood plain in the Murray-Darling Basin of South Australia. A frequency domain, helicopter-borne electromagnetic system collected data at 6 frequencies and 3 to 4 m spacings on lines spaced 100 m apart. This data was transformed into conductivity-depth sections, from which a 3D bulk-conductivity map could be created with about 30 m spatial resolution and 2 to 5 m vertical depth resolution. For that portion of the volume below the interpolated water-table, we predicted porosity in each cell using Archie's law. Generally, predicted porosities were in the 30 to 50 % range, consistent with expectations for the partially consolidated sediments in the floodplain. Porosities were directly measured on core from eight boreholes in the area, and compared quite well with the predictions. The predicted porosity map was spatially consistent, and when combined with measured salinities in the ground water, was able to provide a detailed 3D map of salt-loads in the saturated zone, and as such contribute to a hazard assessment of the saline threat to the river.

Air Permeability and Infiltration Differences Associated with Grass and Gravel Streambeds in an Urban Environment

NASA Astrophysics Data System (ADS)

Witte, B.; Ferlin, C.; Gallo, E. L.; Lohse, K. A.; Meixner, T.; Brooks, P. D.; Ferre, T. A.

2010-12-01

Storm water infiltration and recharge is a key component of sustainable water resource management in rapidly expanding urban areas of arid and semi-arid regions. Near surface streambed permeability affects the partitioning of stream flows to infiltration and subsequent groundwater recharge, or increasing runoff to be conveyed downstream. Therefore, in this study, we assessed how air permeability varied among distinct stream beds of ephemeral urban washes in the semi-arid southwest. A Soil Core Air Permeameter (SCAP) was used to quantify in situ air permeability at sixteen sites in the Tucson, Arizona metropolitan area. Significant air permeability differences between gravel and grass lined ephemeral stream beds were found, where the average air permeability at the gravel sites was 3.58 x10-2 ± 1.11 x 10-2 mm2 (mean ± std error) and the air permeability at the grass sites was 7.13 x 10-3 ± 2.02 x 10-3 mm2. A previously published linear correlation between air permeability and saturated hydraulic conductivity was used to predict saturated hydraulic conductivity at the ephemeral stream beds of this study. Preliminary results suggest that the predicted saturated hydraulic conductivity values are comparable to ring infiltration measurements taken in the field. Findings from this study indicate that the higher porosity and decreased vegetation at the gravel lined urban washes enhanced infiltration rates, which may lead to decreased storm water runoff. However, higher infiltration rates at gravel lined sites may result in less time for processing of potential pollutants with negative implications for water quality.

An Advection-Diffusion Concept for Solute Transport in Heterogeneous Unconsolidated Geological Deposits

NASA Astrophysics Data System (ADS)

Gillham, R. W.; Sudicky, E. A.; Cherry, J. A.; Frind, E. O.

1984-03-01

In layered permeable deposits with flow predominately parallel to the bedding, advection causes rapid solute transport in the more permeable layers. As the solute advances more rapidly in these layers, solute mass is continually transferred to the less permeable layers as a result of molecular diffusion due to the concentration gradient between the layers. The interlayer solute transfer causes the concentration to decline along the permeable layers at the expense of increasing the concentration in the less permeable layers, which produces strongly dispersed concentration profiles in the direction of flow. The key parameters affecting the dispersive capability of the layered system are the diffusion coefficients for the less permeable layers, the thicknesses of the layers, and the hydraulic conductivity contrasts between the layers. Because interlayer solute transfer by transverse molecular diffusion is a time-dependent process, the advection-diffusion concept predicts a rate of longitudinal spreading during the development of the dispersion process that is inconsistent with the classical Fickian dispersion model. A second consequence of the solute-storage effect offered by transverse diffusion into low-permeability layers is a rate of migration of the frontal portion of a contaminant in the permeable layers that is less than the groundwater velocity. Although various lines of evidence are presented in support of the advection-diffusion concept, more work is required to determine the range of geological materials for which it is applicable and to develop mathematical expressions that will make it useful as a predictive tool for application to field cases of contaminant migration.

Silt and gas accumulation beneath an artificial recharge spreading basin, Southwestern Utah, U.S.A.

USGS Publications Warehouse

Heilweil, V.M.; Solomon, D.K.; Ortiz, G.

2009-01-01

Sand Hollow Reservoir in southwestern Utah, USA, is operated for both surface-water storage and artificial recharge to the underlying Navajo Sandstone. The total volume of estimated artificial recharge between 2002 and 2007 is 85 million cubic meters (69,000 acre-feet). Since 2002, artificial recharge rates have generally been declining and are inversely correlated with the increasing surface area of the reservoir. Permeability testing of core samples retrieved from beneath the reservoir indicates that this decline may not be due to silt accumulation. Artificial recharge rates also show much seasonal variability. Calculations of apparent intrinsic permeability show that these variations can only partly be explained by variation in water viscosity associated with seasonal changes in water temperature. Sporadic seasonal trends in recharge rates and intrinsic permeability during 2002-2004 could be associated with the large fluctuations in reservoir elevation and wetted area. From 2005 through 2007, the reservoir was mostly full and there has been a more consistent seasonal pattern of minimum recharge rates during the summer and maximum rates during the autumn. Total dissolved-gas pressure measurements indicate the presence of biogenic gas bubbles in the shallow sediments beneath the shallower parts of Sand Hollow Reservoir when the water is warmer. Permeability reduction associated with this gas clogging may contribute to the decrease in artificial recharge rates during the spring and summer, with a subsequently increasing recharge rates in the autumn associated with a decline in volume of gas bubbles. Other possible causes for seasonal variation in artificial recharge rates require further investigation.

Leachate migration from an in-situ oil-shale retort near Rock Springs, Wyoming

USGS Publications Warehouse

Glover, Kent C.

1988-01-01

Hydrogeologic factors influencing leachate movement from an in-situ oil-shale retort near Rock Springs, Wyoming, were investigated through models of ground-water flow and solute transport. Leachate, indicated by the conservative ion thiocyanate, has been observed ? mile downgradient from the retort. The contaminated aquifer is part of the Green River Formation and consists of thin, permeable layers of tuff and sandstone interbedded with oil shale. Most solute migration has occurred in an 8-foot sandstone at the top of the aquifer. Ground-water flow in the study area is complexly three dimensional and is characterized by large vertical variations in hydraulic head. The solute-transport model was used to predict the concentration of thiocyanate at a point where ground water discharges to the land surface. Leachate with peak concentrations of thiocyanate--45 milligrams per liter or approximately one-half the initial concentration of retort water--was estimated to reach the discharge area during January 1985. This report describes many of th3 advantages, as well as the problems, of site-specific studies. Data such as the distribution of thin, permeable beds or fractures might introduce an unmanageable degree of complexity to basin-wide studies but can be incorporated readily into site-specific models. Solute migration in the study area occurs primarily in thin, permeable beds rather than in oil-shale strata. Because of this behavior, leachate traveled far greater distances than might otherwise have been expected. The detail possible in site-specific models permits more accurate prediction of solute transport than is possible with basin-wide models. A major problem in site-specific studies is identifying model boundaries that permit the accurate estimation of aquifer properties. If the quantity of water flowing through a study area cannot be determined prior to modeling, the hydraulic conductivity and ground-water velocity will be poorly estimated.

Leachate migration from an in situ oil-shale retort near Rock Springs, Wyoming

USGS Publications Warehouse

Glover, K.C.

1986-01-01

Geohydrologic factors influencing leachate movement from an in situ oil shale retort near Rock Springs, Wyoming, were investigated by developing models of groundwater flow and solute transport. Leachate, indicated by the conservative ion thiocyanate, has been observed 1/2 mi downgradient from the retort. The contaminated aquifer is part of the Green River Formation and consists of thin, permeable layers of tuff and sandstone interbedded with oil shale. Most solute migration has occurred in an 8-ft sandstone at the top of the aquifer. Groundwater flow in the study area is complexly 3-D and is characterized by large vertical variations in hydraulic head. The solute transport model was used to predict the concentration of thiocyanate at a point where groundwater discharges to the land surface. Leachates with peak concentrations of thiocyanate--45 mg/L or approximately one-half the initial concentration of retort water--were estimated to reach the discharge area during January 1985. Advantages as well as the problems of site specific studies are described. Data such as the distribution of thin permeable beds or fractures may introduce an unmanageable degree of complexity to basin-wide studies but can be incorporated readily in site specific models. Solute migration in the study area primarily occurs in thin permeable beds rather than in oil shale strata. Because of this behavior, leachate traveled far greater distances than might otherwise have been expected. The detail possible in site specific models permits more accurate prediction of solute transport than is possible with basin-wide models. A major problem in site specific studies is identifying model boundaries that permit the accurate estimation of aquifer properties. If the quantity of water flowing through a study area cannot be determined prior to modeling, the hydraulic conductivity and groundwater velocity will be estimated poorly. (Author 's abstract)

Sedimentological Control on Hydrate Saturation Distribution in Arctic Gas-Hydrate-Bearing Deposits

NASA Astrophysics Data System (ADS)

Behseresht, J.; Peng, Y.; Bryant, S. L.

2010-12-01

Grain size variations along with the relative rates of fluid phases migrating into the zone of hydrate stability, plays an important role in gas-hydrate distribution and its morphologic characteristics. In the Arctic, strata several meters thick containing large saturations of gas hydrate are often separated by layers containing small but nonzero hydrate saturations. Examples are Mt. Elbert, Alaska and Mallik, NW Territories. We argue that this sandwich type hydrate saturation distribution is consistent with having a gas phase saturation within the sediment when the base of gas hydrate stability zone (BGHSZ) was located above the sediment package. The volume change during hydrate formation process derives movement of fluid phases into the GHSZ. We show that this fluid movement -which is mainly governed by characteristic relative permeability curves of the host sediment-, plays a crucial role in the amount of hydrate saturation in the zone of major hydrate saturation. We develop a mechanistic model that enables estimating the final hydrate saturation from an initial gas/water saturation in sediment with known relative permeability curves. The initial gas/water saturation is predicted using variation of capillary entry pressure with depth, which in turn depends on the variation in grain-size distribution. This model provides a mechanistic approach for explaining large hydrate saturations (60%-75%) observed in zones of major hydrate saturation considering the governing characteristic relative permeability curves of the host sediments. We applied the model on data from Mount Elbert well on the Alaskan North Slope. It is shown that, assuming a cocurrent flow of gas and water into the GHSZ, such large hydrate saturations (up to 75%) cannot result from large initial gas saturations (close to 1-Sw,irr) due to limitations on water flux imposed by typical relative permeability curves. They could however result from modest initial gas saturations (ca. 40%) at which we have reasonable phase mobility ratios required for appropriate relative rates of gas and water transporting into GHSZ to form large hydrate saturations. Nevertheless, from the profile of capillary entry pressure vs. depth, we expect large initial gas saturations and thus the final high hydrate saturation suggests another form of water flow: water moves down through accumulated hydrate from the unfrozen water above. For this to happen the water phase must remain connected within the hydrate-bearing sediment. This seems plausible in hydrate bearing sediments because hydrate formation will be stopped before water saturation gets to very low values (lower than Sw,irr) due to salinity build up. The location of small hydrate saturations (10-15%) is consistent with the location of the residual gas phase established during water imbibition into these locations while they serve as a gas source to the layers above.

Iron Hydroxy Carbonate Formation in Zerovalent Iron Permeable Reactive Barriers: Characterization and Evaluation of Phase Stability

EPA Science Inventory

Predicting the long-term potential of permeable reactive barriers for treating contaminated groundwater relies on understanding the endpoints of biogeochemical reactions between influent groundwater and the reactive medium. Iron hydroxy carbonate (chukanovite) is frequently obs...

Lift mechanics of downhill skiing and snowboarding.

PubMed

Wu, Qianhong; Igci, Yesim; Andreopoulos, Yiannis; Weinbaum, Sheldon

2006-06-01

This study is conducted to develop a simplified mathematical model to describe the lift mechanics of downhill skiing and snowboarding, where the lift contributions due to both the transiently trapped air and the compressed solid phase (snow crystals) are determined. To our knowledge, this is the first time that anyone has attempted to realistically estimate the relative contribution of the transiently trapped air to the total lift in skiing and snowboarding. The model uses Shimizu's empirical relation to predict the local variation in Darcy permeability due to the compression of the solid phase. The forces and moments on the skier or snowboarder are used to predict the angle of attack of the planing surface, the penetration depth at the leading edge, and the shift in the center of pressure for two typical snow types, fresh and wind-packed snow. We present numerical solutions for snowboarding and asymptotic analytic solutions for skiing for the case where there are no edging or turning maneuvers. The force and moment balance are then used to develop a theory for control and stability in response to changes in the center of mass as the individual shifts his/her weight. Our model predicts that for fine-grained, windpacked snow that when the velocity (U) of the snowboarder or skier is 20 m.s, approximately 50% of the total lift force is generated by the trapped air for snowboarding and 40% for skiing. For highly permeable fresh powder snow, the lift contribution from the pore air pressure drops substantially. This paper develops a new theoretical framework for analyzing the lift mechanics and stability of skis and snowboards that could have important applications in future ski and snowboard design.

Variations of permeability and pore size distribution of porous media with pressure.

PubMed

Chen, Quan; Kinzelbach, Wolfgang; Ye, Chaohui; Yue, Yong

2002-01-01

Porosity and permeability of porous and fractured geological media decrease with the exploitation of formation fluids such as petroleum, natural gas, or ground water. This may result in ground subsidence and a decrease of recovery of petroleum, natural gas, or ground water. Therefore, an evaluation of the behavior of permeability and porosity under formation fluid pressure changes is important to petroleum and ground water industries. This study for the first time establishes a method, which allows for the measurement of permeability, porosity, and pore size distribution of cores simultaneously. From the observation of the pore size distribution by low-field nuclear magnetic resonance (NMR) relaxation time spectrometry the mechanisms of pressure-dependent porosity and permeability change can be derived. This information cannot be obtained by traditional methods. As the large-size pores or fractures contribute significantly to the permeability, their change consequently leads to a large permeability change. The contribution of fractures to permeability is even larger than that of pores. Thus, the permeability of the cores with fractures decreased more than that of cores without fractures during formation pressure decrease. Furthermore, it did not recover during formation pressure increase. It can be concluded that in fractures, mainly plastic deformation takes place, while matrix pores mainly show elastic deformation. Therefore, it is very important to keep an appropriate formation fluid pressure during the exploitation of ground water and petroleum in a fractured formation.

Support vector regression to predict porosity and permeability: Effect of sample size

NASA Astrophysics Data System (ADS)

Al-Anazi, A. F.; Gates, I. D.

2012-02-01

Porosity and permeability are key petrophysical parameters obtained from laboratory core analysis. Cores, obtained from drilled wells, are often few in number for most oil and gas fields. Porosity and permeability correlations based on conventional techniques such as linear regression or neural networks trained with core and geophysical logs suffer poor generalization to wells with only geophysical logs. The generalization problem of correlation models often becomes pronounced when the training sample size is small. This is attributed to the underlying assumption that conventional techniques employing the empirical risk minimization (ERM) inductive principle converge asymptotically to the true risk values as the number of samples increases. In small sample size estimation problems, the available training samples must span the complexity of the parameter space so that the model is able both to match the available training samples reasonably well and to generalize to new data. This is achieved using the structural risk minimization (SRM) inductive principle by matching the capability of the model to the available training data. One method that uses SRM is support vector regression (SVR) network. In this research, the capability of SVR to predict porosity and permeability in a heterogeneous sandstone reservoir under the effect of small sample size is evaluated. Particularly, the impact of Vapnik's ɛ-insensitivity loss function and least-modulus loss function on generalization performance was empirically investigated. The results are compared to the multilayer perception (MLP) neural network, a widely used regression method, which operates under the ERM principle. The mean square error and correlation coefficients were used to measure the quality of predictions. The results demonstrate that SVR yields consistently better predictions of the porosity and permeability with small sample size than the MLP method. Also, the performance of SVR depends on both kernel function type and loss functions used.

Oscillatory slip flow past a spherical inclusion embedded in a Brinkman medium

NASA Astrophysics Data System (ADS)

Palaniappan, D.

2016-11-01

Non-steady flow past an impermeable sphere embedded in a porous medium is investigated based on Brinkman model with Navier slip conditions. Exact analytic solution for the stream-function - involving modified Bessel function of the second kind - describing the slow oscillatory flow around a rigid spherical inclusion is obtained in the limit of low-Reynolds-number. The key parameters such as the frequency of oscillation λ, the permeability constant δ, and the slip coefficient ξ control the flow fields and physical quantities in the entire flow domain. Local streamlines for fixed times demonstrate the variations in flow patterns. Closed form expressions for the tangential velocity profile, wall shear stress, and the force acting on the sphere are computed and compared with the existing results. It is noted that the slip parameter in the range 0 <= ξ <= 0 . 5 has a significant effect in reducing the stress and force. The steady-state velocity overshoot behavior in the vicinity of the sphere is re-iterated. In the limit of large permeability, Darcy (potential) flow is recovered outside a boundary layer. The results are of some interest in predicting maximum wall stress and pressure drop associated with biological models in fibrous media.

Variability of Female Responses to Conspecific vs. Heterospecific Male Mating Calls in Polygynous Deer: An Open Door to Hybridization?

PubMed Central

Wyman, Megan T.; Charlton, Benjamin D.; Locatelli, Yann; Reby, David

2011-01-01

Males of all polygynous deer species (Cervinae) give conspicuous calls during the reproductive season. The extreme interspecific diversity that characterizes these vocalizations suggests that they play a strong role in species discrimination. However, interbreeding between several species of Cervinae indicates permeable interspecific reproductive barriers. This study examines the contribution of vocal behavior to female species discrimination and mating preferences in two closely related polygynous deer species known to hybridize in the wild after introductions. Specifically, we investigate the reaction of estrous female red deer (Cervus elaphus) to playbacks of red deer vs. sika deer (Cervus nippon) male mating calls, with the prediction that females will prefer conspecific calls. While on average female red deer preferred male red deer roars, two out of twenty females spent more time in close proximity to the speaker broadcasting male sika deer moans. We suggest that this absence of strict vocal preference for species-specific mating calls may contribute to the permeability of pre-zygotic reproductive barriers observed between these species. Our results also highlight the importance of examining inter-individual variation when studying the role of female preferences in species discrimination and intraspecific mate selection. PMID:21887242

Developing Enhanced Blood–Brain Barrier Permeability Models: Integrating External Bio-Assay Data in QSAR Modeling

PubMed Central

Wang, Wenyi; Kim, Marlene T.; Sedykh, Alexander

2015-01-01

Purpose Experimental Blood–Brain Barrier (BBB) permeability models for drug molecules are expensive and time-consuming. As alternative methods, several traditional Quantitative Structure-Activity Relationship (QSAR) models have been developed previously. In this study, we aimed to improve the predictivity of traditional QSAR BBB permeability models by employing relevant public bio-assay data in the modeling process. Methods We compiled a BBB permeability database consisting of 439 unique compounds from various resources. The database was split into a modeling set of 341 compounds and a validation set of 98 compounds. Consensus QSAR modeling workflow was employed on the modeling set to develop various QSAR models. A five-fold cross-validation approach was used to validate the developed models, and the resulting models were used to predict the external validation set compounds. Furthermore, we used previously published membrane transporter models to generate relevant transporter profiles for target compounds. The transporter profiles were used as additional biological descriptors to develop hybrid QSAR BBB models. Results The consensus QSAR models have R2=0.638 for fivefold cross-validation and R2=0.504 for external validation. The consensus model developed by pooling chemical and transporter descriptors showed better predictivity (R2=0.646 for five-fold cross-validation and R2=0.526 for external validation). Moreover, several external bio-assays that correlate with BBB permeability were identified using our automatic profiling tool. Conclusions The BBB permeability models developed in this study can be useful for early evaluation of new compounds (e.g., new drug candidates). The combination of chemical and biological descriptors shows a promising direction to improve the current traditional QSAR models. PMID:25862462

In vitro blood-brain barrier permeability predictions for GABAA receptor modulating piperine analogs.

PubMed

Eigenmann, Daniela Elisabeth; Dürig, Carmen; Jähne, Evelyn Andrea; Smieško, Martin; Culot, Maxime; Gosselet, Fabien; Cecchelli, Romeo; Helms, Hans Christian Cederberg; Brodin, Birger; Wimmer, Laurin; Mihovilovic, Marko D; Hamburger, Matthias; Oufir, Mouhssin

2016-06-01

The alkaloid piperine from black pepper (Piper nigrum L.) and several synthetic piperine analogs were recently identified as positive allosteric modulators of γ-aminobutyric acid type A (GABAA) receptors. In order to reach their target sites of action, these compounds need to enter the brain by crossing the blood-brain barrier (BBB). We here evaluated piperine and five selected analogs (SCT-66, SCT-64, SCT-29, LAU397, and LAU399) regarding their BBB permeability. Data were obtained in three in vitro BBB models, namely a recently established human model with immortalized hBMEC cells, a human brain-like endothelial cells (BLEC) model, and a primary animal (bovine endothelial/rat astrocytes co-culture) model. For each compound, quantitative UHPLC-MS/MS methods in the range of 5.00-500ng/mL in the corresponding matrix were developed, and permeability coefficients in the three BBB models were determined. In vitro predictions from the two human BBB models were in good agreement, while permeability data from the animal model differed to some extent, possibly due to protein binding of the screened compounds. In all three BBB models, piperine and SCT-64 displayed the highest BBB permeation potential. This was corroborated by data from in silico prediction. For the other piperine analogs (SCT-66, SCT-29, LAU397, and LAU399), BBB permeability was low to moderate in the two human BBB models, and moderate to high in the animal BBB model. Efflux ratios (ER) calculated from bidirectional permeability experiments indicated that the compounds were likely not substrates of active efflux transporters. Copyright © 2016 Elsevier B.V. All rights reserved.

The Benefits of Maximum Likelihood Estimators in Predicting Bulk Permeability and Upscaling Fracture Networks

NASA Astrophysics Data System (ADS)

Emanuele Rizzo, Roberto; Healy, David; De Siena, Luca

2016-04-01

The success of any predictive model is largely dependent on the accuracy with which its parameters are known. When characterising fracture networks in fractured rock, one of the main issues is accurately scaling the parameters governing the distribution of fracture attributes. Optimal characterisation and analysis of fracture attributes (lengths, apertures, orientations and densities) is fundamental to the estimation of permeability and fluid flow, which are of primary importance in a number of contexts including: hydrocarbon production from fractured reservoirs; geothermal energy extraction; and deeper Earth systems, such as earthquakes and ocean floor hydrothermal venting. Our work links outcrop fracture data to modelled fracture networks in order to numerically predict bulk permeability. We collected outcrop data from a highly fractured upper Miocene biosiliceous mudstone formation, cropping out along the coastline north of Santa Cruz (California, USA). Using outcrop fracture networks as analogues for subsurface fracture systems has several advantages, because key fracture attributes such as spatial arrangements and lengths can be effectively measured only on outcrops [1]. However, a limitation when dealing with outcrop data is the relative sparseness of natural data due to the intrinsic finite size of the outcrops. We make use of a statistical approach for the overall workflow, starting from data collection with the Circular Windows Method [2]. Then we analyse the data statistically using Maximum Likelihood Estimators, which provide greater accuracy compared to the more commonly used Least Squares linear regression when investigating distribution of fracture attributes. Finally, we estimate the bulk permeability of the fractured rock mass using Oda's tensorial approach [3]. The higher quality of this statistical analysis is fundamental: better statistics of the fracture attributes means more accurate permeability estimation, since the fracture attributes feed directly into the permeability calculations. The application of Maximum Likelihood Estimators can have important consequences, especially when we aim to predict the tendency of fracture attributes towards smaller and larger scales than those observed, in order to build consistent, useable models from outcrop observations. The procedures presented here aim to understand whether the average permeability of a fracture network can be predicted, reducing its uncertainties; and if outcrop measurements of fracture attributes can be used directly to generate statistically identical fracture network models, which can then be easily up-scaled into larger areas or volumes. Gale et al. "Natural Fracture in shale: A review and new observations", AAPG Bulletin 98.11 (2014). Mauldon et al. "Circular scanlines and circular windows: new tools for characterizing the geometry of fracture traces", Journal of Structural Geology, 23 (2001). Oda "Permeability tensor for discontinuous rock masses", Geotechnique 35.4 (1985).

Modeling stress/strain-dependent permeability changes for deep geoenergy applications

NASA Astrophysics Data System (ADS)

Rinaldi, Antonio Pio; Rutqvist, Jonny

2016-04-01

Rock permeability is a key parameter in deep geoenergy systems. Stress and strain changes induced at depth by fluid injection or extraction may substantially alter the rock permeability in an irreversible way. With regard to the geoenergies, some applications require the permeability to be enhanced to improve productivity. The rock permeability is generally enhanced by shearing process of faults and fractures (e.g. hydroshearing for Enhanced and Deep Geothermal Systems), or the creation of new fractures (e.g. hydrofracturing for shale gas). However, such processes may, at the same time, produce seismicity that can be felt by the local population. Moreover, the increased permeability due to fault reactivation may pose at risk the sealing capacity of a storage site (e.g. carbon sequestration or nuclear waste disposal), providing then a preferential pathway for the stored fluids to escape at shallow depth. In this work we present a review of some recent applications aimed at understanding the coupling between stress (or strain) and permeability. Examples of geoenergy applications include both EGS and CO2 sequestration. To investigate both "wanted" and "unwanted" effects, THM simulations have been carried out with the TOUGH-FLAC simulator. Our studies include constitutive equations relating the permeability to mean effective stress, effective normal stress, volumetric strain, as well as accounting for permeability variation as related to fault/fracture reactivation. Results show that the geomechanical effects have a large role in changing the permeability, hence affecting fluids leakage, reservoir enhancement, as well as the induced seismicity.

In silico modeling on ADME properties of natural products: Classification models for blood-brain barrier permeability, its application to traditional Chinese medicine and in vitro experimental validation.

PubMed

Zhang, Xiuqing; Liu, Ting; Fan, Xiaohui; Ai, Ni

2017-08-01

In silico modeling of blood-brain barrier (BBB) permeability plays an important role in early discovery of central nervous system (CNS) drugs due to its high-throughput and cost-effectiveness. Natural products (NP) have demonstrated considerable therapeutic efficacy against several CNS diseases. However, BBB permeation property of NP is scarcely evaluated both experimentally and computationally. It is well accepted that significant difference in chemical spaces exists between NP and synthetic drugs, which calls into doubt on suitability of available synthetic chemical based BBB permeability models for the evaluation of NP. Herein poor discriminative performance on BBB permeability of NP are first confirmed using internal constructed and previously published drug-derived computational models, which warrants the need for NP-oriented modeling. Then a quantitative structure-property relationship (QSPR) study on a NP dataset was carried out using four different machine learning methods including support vector machine, random forest, Naïve Bayes and probabilistic neural network with 67 selected features. The final consensus model was obtained with approximate 90% overall accuracy for the cross-validation study, which is further taken to predict passive BBB permeability of a large dataset consisting of over 10,000 compounds from traditional Chinese medicine (TCM). For 32 selected TCM molecules, their predicted BBB permeability were evaluated by in vitro parallel artificial membrane permeability assay and overall accuracy for in vitro experimental validation is around 81%. Interestingly, our in silico model successfully predicted different BBB permeation potentials of parent molecules and their known in vivo metabolites. Finally, we found that the lipophilicity, the number of hydrogen bonds and molecular polarity were important molecular determinants for BBB permeability of NP. Our results suggest that the consensus model proposed in current work is a reliable tool for prioritizing potential CNS active NP across the BBB, which would accelerate their development and provide more understanding on their mechanisms, especially those with pharmacologically active metabolites. Copyright © 2017 Elsevier Inc. All rights reserved.

Fluid Pressure Variation in a Sedimentary Geothermal Reservoir in the North German Basin: Case Study Groß Schönebeck

NASA Astrophysics Data System (ADS)

Huenges, Ernst; Trautwein, Ute; Legarth, Björn; Zimmermann, Günter

2006-10-01

The Rotliegend of the North German basin is the target reservoir of an interdisciplinary investigation program to develop a technology for the generation of geothermal electricity from low-enthalpy reservoirs. An in situ downhole laboratory was established in the 4.3 km deep well Groβ Schönebeck with the purpose of developing appropriate stimulation methods to increase permeability of deep aquifers by enhancing or creating secondary porosity and flow paths. The goal is to learn how to enhance the inflow performance of a well from a variety of rock types in low permeable geothermal reservoirs. A change in effective stress due to fluid pressure was observed to be one of the key parameters influencing flow properties both downhole and in laboratory experiments on reservoir rocks. Fluid pressure variation was induced using proppant-gel-frac techniques as well as waterfrac techniques in several different new experiments in the borehole. A pressure step test indicates generation and extension of multiple fractures with closure pressures between 6 and 8.4 MPa above formation pressure. In a 24-hour production test 859 m3 water was produced from depth indicating an increase of productivity in comparison with former tests. Different depth sections and transmissibility values were observed in the borehole depending on fluid pressure. In addition, laboratory experiments were performed on core samples from the sandstone reservoir under uniaxial strain conditions, i.e., no lateral strain, constant axial load. The experiments on the borehole and the laboratory scale were realized on the same rock types under comparable stress conditions with similar pore pressure variations. Nevertheless, stress dependences of permeability are not easy to compare from scale to scale. Laboratory investigations reflect permeability variations due to microstructural heterogeneities and the behavior in the borehole is dominated by the generation of connections to large-scale structural patterns.

Modification of Hazen's equation in coarse grained soils by soft computing techniques

NASA Astrophysics Data System (ADS)

Kaynar, Oguz; Yilmaz, Isik; Marschalko, Marian; Bednarik, Martin; Fojtova, Lucie

2013-04-01

Hazen first proposed a Relationship between coefficient of permeability (k) and effective grain size (d10) was first proposed by Hazen, and it was then extended by some other researchers. However many attempts were done for estimation of k, correlation coefficients (R2) of the models were generally lower than ~0.80 and whole grain size distribution curves were not included in the assessments. Soft computing techniques such as; artificial neural networks, fuzzy inference systems, genetic algorithms, etc. and their hybrids are now being successfully used as an alternative tool. In this study, use of some soft computing techniques such as Artificial Neural Networks (ANNs) (MLP, RBF, etc.) and Adaptive Neuro-Fuzzy Inference System (ANFIS) for prediction of permeability of coarse grained soils was described, and Hazen's equation was then modificated. It was found that the soft computing models exhibited high performance in prediction of permeability coefficient. However four different kinds of ANN algorithms showed similar prediction performance, results of MLP was found to be relatively more accurate than RBF models. The most reliable prediction was obtained from ANFIS model.

Permeability evolution of shale during spontaneous imbibition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakraborty, N.; Karpyn, Z. T.; Liu, S.

Shales have small pore and throat sizes ranging from nano to micron scales, low porosity and limited permeability. The poor permeability and complex pore connectivity of shales pose technical challenges to (a) understanding flow and transport mechanisms in such systems and, (b) in predicting permeability changes under dynamic saturation conditions. This paper presents quantitative experimental evidence of the migration of water through a generic shale core plug using micro CT imaging. In addition, in-situ measurements of gas permeability were performed during counter-current spontaneous imbibition of water in nano-darcy permeability Marcellus and Haynesville core plugs. It was seen that water blocksmore » severely reduced the effective permeability of the core plugs, leading to losses of up to 99.5% of the initial permeability in experiments lasting 30 days. There was also evidence of clay swelling which further hindered gas flow. When results from this study were compared with similar counter-current gas permeability experiments reported in the literature, the initial (base) permeability of the rock was found to be a key factor in determining the time evolution of effective gas permeability during spontaneous imbibition. With time, a recovery of effective permeability was seen in the higher permeability rocks, while becoming progressively detrimental and irreversible in tighter rocks. Finally, these results suggest that matrix permeability of ultra-tight rocks is susceptible to water damage following hydraulic fracturing stimulation and, while shut-in/soaking time helps clearing-up fractures from resident fluid, its effect on the adjacent matrix permeability could be detrimental.« less

Permeability evolution of shale during spontaneous imbibition

DOE PAGES

Chakraborty, N.; Karpyn, Z. T.; Liu, S.; ...

2017-01-05

Shales have small pore and throat sizes ranging from nano to micron scales, low porosity and limited permeability. The poor permeability and complex pore connectivity of shales pose technical challenges to (a) understanding flow and transport mechanisms in such systems and, (b) in predicting permeability changes under dynamic saturation conditions. This paper presents quantitative experimental evidence of the migration of water through a generic shale core plug using micro CT imaging. In addition, in-situ measurements of gas permeability were performed during counter-current spontaneous imbibition of water in nano-darcy permeability Marcellus and Haynesville core plugs. It was seen that water blocksmore » severely reduced the effective permeability of the core plugs, leading to losses of up to 99.5% of the initial permeability in experiments lasting 30 days. There was also evidence of clay swelling which further hindered gas flow. When results from this study were compared with similar counter-current gas permeability experiments reported in the literature, the initial (base) permeability of the rock was found to be a key factor in determining the time evolution of effective gas permeability during spontaneous imbibition. With time, a recovery of effective permeability was seen in the higher permeability rocks, while becoming progressively detrimental and irreversible in tighter rocks. Finally, these results suggest that matrix permeability of ultra-tight rocks is susceptible to water damage following hydraulic fracturing stimulation and, while shut-in/soaking time helps clearing-up fractures from resident fluid, its effect on the adjacent matrix permeability could be detrimental.« less

A Spatial Correlation Model of Permeability on the Columbia River Plateau

NASA Astrophysics Data System (ADS)

Jayne, R., Jr.; Pollyea, R. M.

2017-12-01

This study presents a spatial correlation model of regional scale permeability variability within the Columbia River Basalt Group (CRBG). The data were compiled from the literature, and include 893 aquifer test results from 598 individual wells. In order to quantify the spatial variation of permeability within the CRBG, three experimental variograms (two horizontal and one vertical) are calculated and then fit with a linear combination of mathematical models. The horizontal variograms show there is a 4.5:1 anisotropy ratio for the permeability correlation structure with a long-range correlation of 35 km at N40°E. The km-scale range of these variograms suggests that there is regional control on permeability within the CRBG. One plausible control on the permeability distribution is that rapid crustal loading during CRBG emplacement ( 80% over 1M years) resulted in an isostatic response where the Columbia Plateau had previously undergone subsidence. To support this hypothesis, we calculate a 200 m moving average of all permeability values with depth. This calculation shows that permeability generally follows a systematic decay until 1,100 m depth, beyond which the 200 m moving average permeability increases 3 orders of magnitude. Since basalt fracture networks govern permeability on Columbia River Plateau, this observation is consistent with basal flexure causing tensile stress that counteract lithostatic loading, thus maintaining higher than expected permeability at depth within the Columbia River Basalt Group. These results may have important implications for regional CRBG groundwater management, as well as engineered reservoirs for carbon capture and sequestration and nuclear waste storage.

Verification of a three-dimensional resin transfer molding process simulation model

NASA Technical Reports Server (NTRS)

Fingerson, John C.; Loos, Alfred C.; Dexter, H. Benson

1995-01-01

Experimental evidence was obtained to complete the verification of the parameters needed for input to a three-dimensional finite element model simulating the resin flow and cure through an orthotropic fabric preform. The material characterizations completed include resin kinetics and viscosity models, as well as preform permeability and compaction models. The steady-state and advancing front permeability measurement methods are compared. The results indicate that both methods yield similar permeabilities for a plain weave, bi-axial fiberglass fabric. Also, a method to determine principal directions and permeabilities is discussed and results are shown for a multi-axial warp knit preform. The flow of resin through a blade-stiffened preform was modeled and experiments were completed to verify the results. The predicted inlet pressure was approximately 65% of the measured value. A parametric study was performed to explain differences in measured and predicted flow front advancement and inlet pressures. Furthermore, PR-500 epoxy resin/IM7 8HS carbon fabric flat panels were fabricated by the Resin Transfer Molding process. Tests were completed utilizing both perimeter injection and center-port injection as resin inlet boundary conditions. The mold was instrumented with FDEMS sensors, pressure transducers, and thermocouples to monitor the process conditions. Results include a comparison of predicted and measured inlet pressures and flow front position. For the perimeter injection case, the measured inlet pressure and flow front results compared well to the predicted results. The results of the center-port injection case showed that the predicted inlet pressure was approximately 50% of the measured inlet pressure. Also, measured flow front position data did not agree well with the predicted results. Possible reasons for error include fiber deformation at the resin inlet and a lag in FDEMS sensor wet-out due to low mold pressures.

High-permeability region size on perfusion CT predicts hemorrhagic transformation after intravenous thrombolysis in stroke

PubMed Central

Puig, Josep; Blasco, Gerard; Daunis-i-Estadella, Pepus; van Eendendburg, Cecile; Carrillo-García, María; Aboud, Carlos; Hernández-Pérez, María; Serena, Joaquín; Biarnés, Carles; Nael, Kambiz; Liebeskind, David S.; Thomalla, Götz; Menon, Bijoy K.; Demchuk, Andrew; Wintermark, Max; Pedraza, Salvador

2017-01-01

Objective Blood-brain barrier (BBB) permeability has been proposed as a predictor of hemorrhagic transformation (HT) after tissue plasminogen activator (tPA) administration; however, the reliability of perfusion computed tomography (PCT) permeability imaging for predicting HT is uncertain. We aimed to determine the performance of high-permeability region size on PCT (HPrs-PCT) in predicting HT after intravenous tPA administration in patients with acute stroke. Methods We performed a multimodal CT protocol (non-contrast CT, PCT, CT angiography) to prospectively study patients with middle cerebral artery occlusion treated with tPA within 4.5 hours of symptom onset. HT was graded at 24 hours using the European-Australasian Acute Stroke Study II criteria. ROC curves selected optimal volume threshold, and multivariate logistic regression analysis identified predictors of HT. Results The study included 156 patients (50% male, median age 75.5 years). Thirty-seven (23,7%) developed HT [12 (7,7%), parenchymal hematoma type 2 (PH-2)]. At admission, patients with HT had lower platelet values, higher NIHSS scores, increased ischemic lesion volumes, larger HPrs-PCT, and poorer collateral status. The negative predictive value of HPrs-PCT at a threshold of 7mL/100g/min was 0.84 for HT and 0.93 for PH-2. The multiple regression analysis selected HPrs-PCT at 7mL/100g/min combined with platelets and baseline NIHSS score as the best model for predicting HT (AUC 0.77). HPrs-PCT at 7mL/100g/min was the only independent predictor of PH-2 (OR 1, AUC 0.68, p = 0.045). Conclusions HPrs-PCT can help predict HT after tPA, and is particularly useful in identifying patients at low risk of developing HT. PMID:29182658

Magnetic permeability as a predictor of the artefact size caused by orthodontic appliances at 1.5 T magnetic resonance imaging.

PubMed

Blankenstein, Felix H; Asbach, Patrick; Beuer, Florian; Glienke, Johannes; Mayer, Stefan; Zachriat, Christine

2017-01-01

Artefacts caused by orthodontic attachments limit the diagnostic value and lead to removal of these appliances before magnetic resonance imaging. Magnetic permeability can predict the artefact size. There is no standardised approach to determine the permeability of such attachments. The aim was to establish a reliable approach to determine artefact size caused by orthodontic attachments at 1.5 T MRI. Artefact radii of 21 attachments were determined applying two prevalent sequences of the head and neck region (turbo spin echo and gradient echo). The instrument Ferromaster (Stefan Mayer Instruments, Dinslaken) is approved for permeability measurements of objects with a minimum size (d = 20 mm, h = 5 mm). Eleven small test specimens of known permeability between 1.003 and 1.431 were produced. They are slightly larger than the orthodontic attachments. Their artefacts were measured and cross tabulated against the permeability. The resulting curve was used to compare the orthodontic attachments with the test bodies. Steel caused a wide range of artefact size of 10-74 mm subject to their permeability. Titanium, cobalt-chromium and ceramic materials produced artefact radii up to 20 mm. Measurement of artefacts of the test bodies revealed an interrelationship according to a root function. The artefact size of all brackets was below that root function. The permeability can be reliably assessed by conventional measurement devices and the artefact size can be predicted. The radiologist is able to decide whether or not the orthodontic attachments should be removed. This study clarifies whether an orthodontic appliance must be removed before taking an MRI.

Permeability and porosity of hydrate-bearing sediments in the northern Gulf of Mexico

DOE Office of Scientific and Technical Information (OSTI.GOV)

Daigle, Hugh; Cook, Ann; Malinverno, Alberto

Hydrate-bearing sands are being actively explored because they contain the highest concentrations of hydrate and are the most economically recoverable hydrate resource. However, relatively little is known about the mechanisms or timescales of hydrate formation, which are related to methane supply, fluid flux, and host sediment properties such as permeability. We used logging-while-drilling data from locations in the northern Gulf of Mexico to develop an effective medium theory-based model for predicting permeability based on clay-sized sediment fraction. The model considers permeability varying between sand and clay endpoint permeabilities that are defined from laboratory data. We verified the model using permeabilitymore » measurements on core samples from three boreholes, and then used the model to predict permeability in two wells drilled in Walker Ridge Block 313 during the Gulf of Mexico Gas Hydrate Joint Industry Project Leg II expedition in 2009. We found that the cleanest sands (clay-sized fraction <0.05) had intrinsic (hydrate-free) permeability contrasts of 5-6 orders of magnitude with the surrounding clays, which is sufficient to provide focused hydrate formation due to advection of methane from a deep source or diffusion of microbial methane from nearby clay layers. In sands where the clay-sized fraction exceeds 0.05, the permeability reduces significantly and focused flow is less pronounced. In these cases, diffusion of dissolved microbial methane is most likely the preferred mode of methane supply for hydrate formation. In conclusion, our results provide important constraints on methane supply mechanisms in the Walker Ridge area and have global implications for evaluating rates of methane migration and hydrate formation in hydrate-bearing sands.« less

Permeability and porosity of hydrate-bearing sediments in the northern Gulf of Mexico

DOE PAGES

Daigle, Hugh; Cook, Ann; Malinverno, Alberto

2015-10-14

Hydrate-bearing sands are being actively explored because they contain the highest concentrations of hydrate and are the most economically recoverable hydrate resource. However, relatively little is known about the mechanisms or timescales of hydrate formation, which are related to methane supply, fluid flux, and host sediment properties such as permeability. We used logging-while-drilling data from locations in the northern Gulf of Mexico to develop an effective medium theory-based model for predicting permeability based on clay-sized sediment fraction. The model considers permeability varying between sand and clay endpoint permeabilities that are defined from laboratory data. We verified the model using permeabilitymore » measurements on core samples from three boreholes, and then used the model to predict permeability in two wells drilled in Walker Ridge Block 313 during the Gulf of Mexico Gas Hydrate Joint Industry Project Leg II expedition in 2009. We found that the cleanest sands (clay-sized fraction <0.05) had intrinsic (hydrate-free) permeability contrasts of 5-6 orders of magnitude with the surrounding clays, which is sufficient to provide focused hydrate formation due to advection of methane from a deep source or diffusion of microbial methane from nearby clay layers. In sands where the clay-sized fraction exceeds 0.05, the permeability reduces significantly and focused flow is less pronounced. In these cases, diffusion of dissolved microbial methane is most likely the preferred mode of methane supply for hydrate formation. In conclusion, our results provide important constraints on methane supply mechanisms in the Walker Ridge area and have global implications for evaluating rates of methane migration and hydrate formation in hydrate-bearing sands.« less

Ultrasonic monitoring of spontaneous imbibition experiments: Precursory moisture diffusion effects ahead of water front

NASA Astrophysics Data System (ADS)

David, Christian; Sarout, Joël.; Dautriat, Jérémie; Pimienta, Lucas; Michée, Marie; Desrues, Mathilde; Barnes, Christophe

2017-07-01

Fluid substitution processes have been investigated in the laboratory on 14 carbonate and siliciclastic reservoir rock analogues through spontaneous imbibition experiments on vertical cylindrical specimens with simultaneous ultrasonic monitoring and imaging. The motivation of our study was to identify the seismic attributes of fluid substitution in reservoir rocks and to link them to physical processes. It is shown that (i) the P wave velocity either decreases or increases when the capillary front reaches the Fresnel clearance zone, (ii) the P wave amplitude is systematically impacted earlier than the velocity is, (iii) this precursory amplitude decrease occurs when the imbibition front is located outside of the Fresnel zone, and (iv) the relative variation of the P wave amplitude is always much larger than that of the P wave velocity. These results suggest that moisture diffuses into the pore space ahead of the water front. This postulate is further supported by a quantitative analysis of the time evolution of the observed P wave amplitudes. In a sense, P wave amplitude acts as a precursor of the arrival of the capillary front. This phenomenon is used to estimate the effective diffusivity of moisture in the tested rocks. The effective moisture diffusivity estimated from the ultrasonic data is strongly correlated with permeability: a power law with exponent 0.96 predicts permeability from ultrasonic monitoring within a factor 3 without noticeable bias. When the effective diffusivity is high, moisture diffusion affects ultrasonic P wave attributes even before the imbibition starts and impacts the P wave reflectivity as evidenced by the variations recorded in the waveform coda.

In silico and in vitro prediction of gastrointestinal absorption from potential drug eremantholide C.

PubMed

Caldeira, Tamires G; Saúde-Guimarães, Dênia A; Dezani, André B; Serra, Cristina Helena Dos Reis; de Souza, Jacqueline

2017-11-01

Analysis of the biopharmaceutical properties of eremantholide C, sesquiterpene lactone with proven pharmacological activity and low toxicity, is required to evaluate its potential to become a drug. Preliminary analysis of the physicochemical characteristics of eremantholide C was performed in silico. Equilibrium solubility was evaluated using the shake-flask method, at 37.0 °C, 100 rpm during 72 h in biorelevant media. The permeability was analysed using parallel artificial membrane permeability assay, at 37.0 °C, 50 rpm for 5 h. The donor compartment was composed of an eremantholide C solution in intestinal fluid simulated without enzymes, while the acceptor compartment consisted of phosphate buffer. Physicochemical characteristics predicted in silico indicated that eremantholide C has a low solubility and high permeability. In-vitro data of eremantholide C showed low solubility, with values for the dose/solubility ratio (ml): 9448.82, 10 389.61 e 15 000.00 for buffers acetate (pH 4.5), intestinal fluid simulated without enzymes (pH 6.8) and phosphate (pH 7.4), respectively. Also, it showed high permeability, with effective permeability of 30.4 × 10 -6 cm/s, a higher result compared with propranolol hydrochloride (9.23 × 10 -6 cm/s). The high permeability combined with its solubility, pharmacological activity and low toxicity demonstrate the importance of eremantholide C as a potential drug candidate. © 2017 Royal Pharmaceutical Society.

The influence of open fracture anisotropy on CO2 movement within geological storage complexes

NASA Astrophysics Data System (ADS)

Bond, C. E.; Wightman, R.; Ringrose, P. S.

2012-12-01

Carbon mitigation through the geological storage of carbon dioxide is dependent on the ability of geological formations to store CO2 trapping it within a geological storage complex. Secure long-term containment needs to be demonstrated, due to both political and social drivers, meaning that this containment must be verifiable over periods of 100-105 years. The effectiveness of sub-surface geological storage systems is dependent on trapping CO2 within a volume of rock and is reliant on the integrity of the surrounding rocks, including their chemical and physical properties, to inhibit migration to the surface. Oil and gas reservoir production data, and field evidence show that fracture networks have the potential to act as focused pathways for fluid movement. Fracture networks can allow large volumes of fluid to migrate to the surface within the time scales of interest. In this paper we demonstrate the importance of predicting the effects of fracture networks in storage, using a case study from the In Salah CO2 storage site, and show how the fracture permeability is closely controlled by the stress regime that determines the open fracture network. Our workflow combines well data of imaged fractures, with a discrete fracture network (DFN) model of tectonically induced fractures, within the horizon of interest. The modelled and observed fractures have been compared and combined with present day stress data to predict the open fracture network and its implications for anisotropic movement of CO2 in the sub-surface. The created fracture network model has been used to calculate the 2D permeability tensor for the reservoir for two scenarios: 1) a model in which all fractures are permeable, based on the whole DFN model and 2) those fractures determined to be in dilatational failure under the present day stress regime, a sub-set of the DFN. The resulting permeability anisotropy tensors show distinct anisotropies for the predicted CO2 movement within the reservoir. These predictions have been compared with InSAR imagery of surface uplift, used as an indicator of fluid pressure and movement in the sub-surface, around the CO2 injection wells. The analysis shows that the permeability tensor with the greatest anisotropy, that for the DFN sub-set of open fractures, matches well with the anisotropy in surface uplift imaged by InSAR. We demonstrate that predicting fracture networks alone does not predict fluid movement in the sub-surface, and that fracture permeability is closely controlled by the stress regime that determines the open fracture network. Our results show that a workflow of fracture network prediction combined with present day stress analysis can be used to successfully predict CO2 movement in the sub-surface at an active injection site.

CORRELATION OF FLORIDA SOIL-GAS PERMEABILITIES WITH GRAIN SIZE, MOISTURE, AND POROSITY

EPA Science Inventory

The report describes a new correlation or predicting gas permeabilities of undisturbed or recompacted soils from their average grain diameter (d), moisture saturation factor (m), and porosity (p). he correlation exhibits a geometric standard deviation (GSD) of only 1.27 between m...

Use of Time Domain Reflectometers (TDRs) in Permeable Pavement Systems to Predict Maintenance Needs and Effectiveness

EPA Science Inventory

As the surface in permeable pavement systems clogs, infiltration capacity decreases, so maintenance is required to maintain hydrologic performance. There is limited direct guidance for determining when maintenance is needed to prevent surface runoff bypass. Research is being co...

Coupled fluid and solid mechanics study for improved permeability estimation of fines' invaded porous materials

NASA Astrophysics Data System (ADS)

Mirabolghasemi, M.; Prodanovic, M.

2012-12-01

The problem of fine particle infiltration is seen in fields from subsurface transport, to drug delivery to industrial slurry flows. Sediment filtration and pathogen retention are well-known subsurface engineering problems that have been extensively studied through different macroscopic, microscopic and experimental modeling techniques Due to heterogeneity, standard constitutive relationships and models yield poor predictions for flow (e.g. permeability) and rock properties (e.g. elastic moduli) of the invaded (damaged) porous media. This severely reduces our ability to, for instance, predict retention, pressure build-up, newly formed flow pathways or porous medium mechanical behavior. We chose a coupled computational fluid dynamics (CFD) - discrete element modeling (DEM) approach to simulate the particulate flow through porous media represented by sphere packings. In order to minimize the uncertainty involved in estimating the flow properties of porous media on Darcy scale and address the dynamic nature of filtration process, this microscopic approach is adapted as a robust method that can incorporate particle interaction physics as well as the heterogeneity of the porous medium.. The coupled simulation was done in open-source packages which has both CFD (openFOAM) and DEM components (LIGGGHTS). We ran several sensitivity analyses over different parameters such as particle/grain size ratio, fluid viscosity, flow rate and sphere packing porosity in order to investigate their effects on the depth of invasion and damaged porous medium permeability. The response of the system to the variation of different parameters is reflected through different clogging mechanism; for instance, bridging is the dominant mechanism of pore-throat clogging when larger particles penetrate into the packing, whereas, in case of fine particles which are much smaller than porous medium grains (1/20 in diameter), this mechanism is not very effective due to the frequent formation and destruction of particle bridges. Finally, depending on the material and fluids that penetrate into the porous medium, the ionic forces might play a significant role in the filtration process. We thus also report on influence of particle attachment (and detachment) on the type of clogging mechanisms. Pore scale simulations allow for visualization and understanding of fundamental processes, and, further, the velocity fields are integrated into a distinctly non-monotonic permeability-porosity/(depth of penetration) relationship.

Predicting permeability with NMR imaging in the Edwards Limestone/Stuart City Trend

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dewitt, H.; Globe, M.; Sorenson, R.

1996-09-01

Determining pore size and pore geometry relationships in carbonate rocks and relating both to permeability is difficult using traditional logging methods. This problem is further complicated by the presence of abundant microporosity (pore size less than 62 microns) in the Edwards Limestone. The use of Nuclear Magnetic Resonance Imaging (NMR) allows for an alternative approach to evaluating the pore types present by examining the response of hydrogen nuclei contained within the free fluid pore space. By testing the hypothesis that larger pore types exhibit an NMR signal decay much slower than smaller pore types, an estimate of the pore typemore » present, (i.e.) vuggy, interparticle, or micropores, can be inferred. Calibration of the NMR decay curve to known samples with measured petrophysical properties allows for improved predictability of pore types and permeability. The next stage of the analysis involves the application of the calibration technique to the borehole environment using an NMR logging tool to more accurately predict production performance.« less

The influence of isotropic and anisotropic crustal permeability on hydrothermal flow at fast spreading ridges

NASA Astrophysics Data System (ADS)

Hasenclever, Jörg; Rüpke, Lars; Theissen-Krah, Sonja; Morgan, Jason

2016-04-01

We use 3-D numerical models of hydrothermal fluid flow to assess the magnitude and spatial distribution of hydrothermal mass and energy fluxes within the upper and lower oceanic crust. A better understanding of the hydrothermal flow pattern (e.g. predominantly on-axis above the axial melt lens vs. predominantly off-axis and ridge-perpendicular over the entire crustal thickness) is essential for quantifying the volume of oceanic crust exposed to high-temperature fluid flow and the associated leaching and redistribution of economically interesting metals. The initial setup of all 3-D models is based on our previous 2-D studies (Theissen-Krah et al., 2011), in which we have coupled numerical models for crustal accretion and hydrothermal fluid flow. One result of these 2-D calculations is a crustal permeability field that leads to a thermal structure in the crust that matches seismic tomography data at the East Pacific Rise. Our reference 3-D model for hydrothermal flow at fast-spreading ridges predicts the existence of a hybrid hydrothermal system (Hasenclever et al., 2014) with two interacting flow components that are controlled by different physical mechanisms. Shallow on-axis flow structures develop owing to the thermodynamic properties of water, whereas deeper off-axis flow is strongly shaped by crustal permeability, particularly the brittle-ductile transition. About ˜60% of the discharging fluid mass is replenished on-axis by warm (up to 300oC) recharge flow surrounding the hot thermal plumes. The remaining ˜40%, however, occurs as colder and broader recharge up to several kilometres away from the ridge axis that feeds hot (500-700oC) deep off-axis flow in the lower crust towards the ridge. Both flow components merge above the melt lens to feed ridge-centred vent sites. In a suite of 3-D model calculations we vary the isotropic crustal permeability to quantify its influence on on-axis vs. off-axis hydrothermal fluxes as well as on along-axis hydrothermal activity. We also explore the effect of anisotropic permeability that is likely to be a feature of the diking region above the melt lens where the repeated emplacement of meter-size dikes should lead to higher permeability in vertical and along-ridge direction and to lower permeability across the ridge. We further study the effect of along-ridge depth-variations of the axial melt lens on the distribution of hydrothermal vent sites.

Testing high resolution numerical models for analysis of contaminant storage and release from low permeability zones

NASA Astrophysics Data System (ADS)

Chapman, Steven W.; Parker, Beth L.; Sale, Tom C.; Doner, Lee Ann

2012-08-01

It is now widely recognized that contaminant release from low permeability zones can sustain plumes long after primary sources are depleted, particularly for chlorinated solvents where regulatory limits are orders of magnitude below source concentrations. This has led to efforts to appropriately characterize sites and apply models for prediction incorporating these effects. A primary challenge is that diffusion processes are controlled by small-scale concentration gradients and capturing mass distribution in low permeability zones requires much higher resolution than commonly practiced. This paper explores validity of using numerical models (HydroGeoSphere, FEFLOW, MODFLOW/MT3DMS) in high resolution mode to simulate scenarios involving diffusion into and out of low permeability zones: 1) a laboratory tank study involving a continuous sand body with suspended clay layers which was 'loaded' with bromide and fluorescein (for visualization) tracers followed by clean water flushing, and 2) the two-layer analytical solution of Sale et al. (2008) involving a relatively simple scenario with an aquifer and underlying low permeability layer. All three models are shown to provide close agreement when adequate spatial and temporal discretization are applied to represent problem geometry, resolve flow fields and capture advective transport in the sands and diffusive transfer with low permeability layers and minimize numerical dispersion. The challenge for application at field sites then becomes appropriate site characterization to inform the models, capturing the style of the low permeability zone geometry and incorporating reasonable hydrogeologic parameters and estimates of source history, for scenario testing and more accurate prediction of plume response, leading to better site decision making.

Coseismic water level changes induced by two distant earthquakes in multiple wells of the Chinese mainland

NASA Astrophysics Data System (ADS)

Ma, Yuchuan; Huang, Fuqiong

2017-01-01

Coseismic water level oscillations, or step-like rises and step-like drops were recorded in 159 wells throughout the Chinese mainland due to the 2015 Nepal Mw 7.8 earthquake, and 184 wells for the 2011 Japan Mw 9.0 earthquake. The earthquake magnitude, and the associated dynamic stresses, has positive roles in both the sensitivity of water level to earthquake induced change, and the amplitude and duration of resulting coseismic water level changes. Wells whose water levels are sensitive to Earth tides have high potential to response to earthquakes. Polarities of step-like changes (rises or drops) are locally controlled and spatially variable, with artesian wells generally recording water-level rises. Permeability enhancement was assessed as a mechanism responsible for step-like changes by analyzing the tidal phase responses. Permeability variations are inferred for 17 out of 95 wells with step-like changes during the Nepal earthquake and for 32 out of 105 wells following the Japan earthquake; however, only 6 wells have permeability variations after both earthquakes.

Grain-size dynamics beneath mid-ocean ridges: Implications for permeability and melt extraction.

PubMed

Turner, Andrew J; Katz, Richard F; Behn, Mark D

2015-03-01

Grain size is an important control on mantle viscosity and permeability, but is difficult or impossible to measure in situ. We construct a two-dimensional, single phase model for the steady state mean grain size beneath a mid-ocean ridge. The mantle rheology is modeled as a composite of diffusion creep, dislocation creep, dislocation accommodated grain boundary sliding, and a plastic stress limiter. The mean grain size is calculated by the paleowattmeter relationship of Austin and Evans (2007). We investigate the sensitivity of our model to global variations in grain growth exponent, potential temperature, spreading-rate, and mantle hydration. We interpret the mean grain-size field in terms of its permeability to melt transport. The permeability structure due to mean grain size may be approximated as a high permeability region beneath a low permeability region. The transition between high and low permeability regions occurs across a boundary that is steeply inclined toward the ridge axis. We hypothesize that such a permeability structure generated from the variability of the mean grain size may focus melt toward the ridge axis, analogous to Sparks and Parmentier (1991)-type focusing. This focusing may, in turn, constrain the region where significant melt fractions are observed by seismic or magnetotelluric surveys. This interpretation of melt focusing via the grain-size permeability structure is consistent with MT observation of the asthenosphere beneath the East Pacific Rise. The grain-size field beneath MORs can vary over orders of magnitude The grain-size field affects the rheology and permeability of the asthenosphere The grain-size field may focus melt toward the ridge axis.

Fault geometry and fluid-rock reaction: Combined controls on mineralization in the Xinli gold deposit, Jiaodong Peninsula, China

NASA Astrophysics Data System (ADS)

Yang, Lin; Zhao, Rui; Wang, Qingfei; Liu, Xuefei; Carranza, Emmanuel John M.

2018-06-01

The structures and fluid-rock reaction in the Xinli gold deposit, Jiaodong Peninsula, were investigated to further understand their combined controls on the development of permeability associated with ore-forming fluid migration. Orebodies in this deposit are hosted by the moderately SE-to S-dipping Sanshandao-Cangshang fault (SCF). Variations in both dip direction and dip angle along the SCF plane produced fault bends, which controlled the fluid accumulation and ore-shoot formation. Gold mineralizations occurred in early gold-quartz-pyrite and late gold-quartz-polymetallic sulphide stages following pervasive sericitization and silicification alterations. Theoretical calculation indicates that sericitization caused 8-57% volume decrease resulting in the development/enlargement of voids, further increase of grain-scale permeability, and resultant precipitation of the early gold-quartz-pyrite pods, which destroyed permeability. The rock softening produced by alterations promoted activities of SCF secondary faults and formation of new fractures, which rebuilt the permeability and controlled the late gold-quartz-polymetallic sulfide veins. Quantitative studies on permeability distributions show that the southwestern and northeastern bend areas with similar alteration and mineralization have persistent and anti-persistent permeability networks, respectively. These were likely caused by different processes of rebuilding permeability due to different stress states resulting from changes in fault geometry.

Quantifying the clay content with borehole depth and impact on reservoir flow

NASA Astrophysics Data System (ADS)

Sarath Kumar, Aaraellu D.; Chattopadhyay, Pallavi B.

2017-04-01

This study focuses on the application of reservoir well log data and 3D transient numerical model for proper optimization of flow dynamics and hydrocarbon potential. Fluid flow through porous media depends on clay content that controls porosity, permeability and pore pressure. The pressure dependence of permeability is more pronounced in tight formations. Therefore, preliminary clay concentration analysis and geo-mechanical characterizations have been done by using wells logs. The assumption of a constant permeability for a reservoir is inappropriate and therefore the study deals with impact of permeability variation for pressure-sensitive formation. The study started with obtaining field data from available well logs. Then, the mathematical models are developed to understand the efficient extraction of oil in terms of reservoir architecture, porosity and permeability. The fluid flow simulations have been done using COMSOL Multiphysics Software by choosing time dependent subsurface flow module that is governed by Darcy's law. This study suggests that the reservoir should not be treated as a single homogeneous structure with unique porosity and permeability. The reservoir parameters change with varying clay content and it should be considered for effective planning and extraction of oil. There is an optimum drawdown for maximum production with varying permeability in a reservoir.

Modeling the formation of porphyry-copper ores

USGS Publications Warehouse

Ingebritsen, Steven E.

2012-01-01

Porphyry-copper ore systems, the source of much of the world's copper and molybdenum, form when metal-bearing fluids are expelled from shallow, degassing magmas. On page 1613 of this issue, Weis et al. (1) demonstrate that self-organizing processes focus metal deposition. Specifically, their simulation studies indicate that ores develop as consequences of dynamic variations in rock permeability driven by injection of volatile species from rising magmas. Scenarios with a static permeability structure could not reproduce key field observations, whereas dynamic permeability responses to magmatic-fluid injection localized a metal-precipitation front where enrichment by a factor of 103 could be achieved [for an overview of their numerical-simulation model CSMP++, see (2)].

Validating predictions of evolving porosity and permeability in carbonate reservoir rocks exposed to CO2-brine

NASA Astrophysics Data System (ADS)

Smith, M. M.; Hao, Y.; Carroll, S.

2017-12-01

Improving our ability to better forecast the extent and impact of changes in porosity and permeability due to CO2-brine-carbonate reservoir interactions should lower uncertainty in long-term geologic CO2 storage capacity estimates. We have developed a continuum-scale reactive transport model that simulates spatial and temporal changes to porosity, permeability, mineralogy, and fluid composition within carbonate rocks exposed to CO2 and brine at storage reservoir conditions. The model relies on two primary parameters to simulate brine-CO2-carbonate mineral reaction: kinetic rate constant(s), kmineral, for carbonate dissolution; and an exponential parameter, n, relating porosity change to resulting permeability. Experimental data collected from fifteen core-flooding experiments conducted on samples from the Weyburn (Saskatchewan, Canada) and Arbuckle (Kansas, USA) carbonate reservoirs were used to calibrate the reactive-transport model and constrain the useful range of k and n values. Here we present the results of our current efforts to validate this model and the use of these parameter values, by comparing predictions of extent and location of dissolution and the evolution of fluid permeability against our results from new core-flood experiments conducted on samples from the Duperow Formation (Montana, USA). Agreement between model predictions and experimental data increase our confidence that these parameter ranges need not be considered site-specific but may be applied (within reason) at various locations and reservoirs. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Surfactant enhanced recovery of tetrachloroethylene from a porous medium containing low permeability lenses. 2. Numerical simulation.

PubMed

Rathfelder, K M; Abriola, L M; Taylor, T P; Pennell, K D

2001-04-01

A numerical model of surfactant enhanced solubilization was developed and applied to the simulation of nonaqueous phase liquid recovery in two-dimensional heterogeneous laboratory sand tank systems. Model parameters were derived from independent, small-scale, batch and column experiments. These parameters included viscosity, density, solubilization capacity, surfactant sorption, interfacial tension, permeability, capillary retention functions, and interphase mass transfer correlations. Model predictive capability was assessed for the evaluation of the micellar solubilization of tetrachloroethylene (PCE) in the two-dimensional systems. Predicted effluent concentrations and mass recovery agreed reasonably well with measured values. Accurate prediction of enhanced solubilization behavior in the sand tanks was found to require the incorporation of pore-scale, system-dependent, interphase mass transfer limitations, including an explicit representation of specific interfacial contact area. Predicted effluent concentrations and mass recovery were also found to depend strongly upon the initial NAPL entrapment configuration. Numerical results collectively indicate that enhanced solubilization processes in heterogeneous, laboratory sand tank systems can be successfully simulated using independently measured soil parameters and column-measured mass transfer coefficients, provided that permeability and NAPL distributions are accurately known. This implies that the accuracy of model predictions at the field scale will be constrained by our ability to quantify soil heterogeneity and NAPL distribution.

Investigating dynamic underground coal fires by means of numerical simulation

NASA Astrophysics Data System (ADS)

Wessling, S.; Kessels, W.; Schmidt, M.; Krause, U.

2008-01-01

Uncontrolled burning or smoldering of coal seams, otherwise known as coal fires, represents a worldwide natural hazard. Efficient application of fire-fighting strategies and prevention of mining hazards require that the temporal evolution of fire propagation can be sufficiently precise predicted. A promising approach for the investigation of the temporal evolution is the numerical simulation of involved physical and chemical processes. In the context of the Sino-German Research Initiative `Innovative Technologies for Detection, Extinction and Prevention of Coal Fires in North China,' a numerical model has been developed for simulating underground coal fires at large scales. The objective of such modelling is to investigate observables, like the fire propagation rate, with respect to the thermal and hydraulic parameters of adjacent rock. In the model, hydraulic, thermal and chemical processes are accounted for, with the last process complemented by laboratory experiments. Numerically, one key challenge in modelling coal fires is to circumvent the small time steps resulting from the resolution of fast reaction kinetics at high temperatures. In our model, this problem is solved by means of an `operator-splitting' approach, in which transport and reactive processes of oxygen are independently calculated. At high temperatures, operator-splitting has the decisive advantage of allowing the global time step to be chosen according to oxygen transport, so that time-consuming simulation through the calculation of fast reaction kinetics is avoided. Also in this model, because oxygen distribution within a coal fire has been shown to remain constant over long periods, an additional extrapolation algorithm for the coal concentration has been applied. In this paper, we demonstrate that the operator-splitting approach is particularly suitable for investigating the influence of hydraulic parameters of adjacent rocks on coal fire propagation. A study shows that dynamic propagation strongly depends on permeability variations. For the assumed model, no fire exists for permeabilities k < 10-10m2, whereas the fire propagation velocity ranges between 340ma-1 for k = 10-8m2, and drops to lower than 3ma-1 for k = 5 × 10-10m2. Additionally, strong temperature variations are observed for the permeability range 5 × 10-10m2 < k < 10-8m2.

Development of a Physiologically-Based Pharmacokinetic Model of the Rat Central Nervous System

PubMed Central

Badhan, Raj K. Singh; Chenel, Marylore; Penny, Jeffrey I.

2014-01-01

Central nervous system (CNS) drug disposition is dictated by a drug’s physicochemical properties and its ability to permeate physiological barriers. The blood–brain barrier (BBB), blood-cerebrospinal fluid barrier and centrally located drug transporter proteins influence drug disposition within the central nervous system. Attainment of adequate brain-to-plasma and cerebrospinal fluid-to-plasma partitioning is important in determining the efficacy of centrally acting therapeutics. We have developed a physiologically-based pharmacokinetic model of the rat CNS which incorporates brain interstitial fluid (ISF), choroidal epithelial and total cerebrospinal fluid (CSF) compartments and accurately predicts CNS pharmacokinetics. The model yielded reasonable predictions of unbound brain-to-plasma partition ratio (Kpuu,brain) and CSF:plasma ratio (CSF:Plasmau) using a series of in vitro permeability and unbound fraction parameters. When using in vitro permeability data obtained from L-mdr1a cells to estimate rat in vivo permeability, the model successfully predicted, to within 4-fold, Kpuu,brain and CSF:Plasmau for 81.5% of compounds simulated. The model presented allows for simultaneous simulation and analysis of both brain biophase and CSF to accurately predict CNS pharmacokinetics from preclinical drug parameters routinely available during discovery and development pathways. PMID:24647103

An integrated simulator of structure and anisotropic flow in gas diffusion layers with hydrophobic additives

NASA Astrophysics Data System (ADS)

Burganos, Vasilis N.; Skouras, Eugene D.; Kalarakis, Alexandros N.

2017-10-01

The lattice-Boltzmann (LB) method is used in this work to reproduce the controlled addition of binder and hydrophobicity-promoting agents, like polytetrafluoroethylene (PTFE), into gas diffusion layers (GDLs) and to predict flow permeabilities in the through- and in-plane directions. The present simulator manages to reproduce spreading of binder and hydrophobic additives, sequentially, into the neat fibrous layer using a two-phase flow model. Gas flow simulation is achieved by the same code, sidestepping the need for a post-processing flow code and avoiding the usual input/output and data interface problems that arise in other techniques. Compression effects on flow anisotropy of the impregnated GDL are also studied. The permeability predictions for different compression levels and for different binder or PTFE loadings are found to compare well with experimental data for commercial GDL products and with computational fluid dynamics (CFD) predictions. Alternatively, the PTFE-impregnated structure is reproduced from Scanning Electron Microscopy (SEM) images using an independent, purely geometrical approach. A comparison of the two approaches is made regarding their adequacy to reproduce correctly the main structural features of the GDL and to predict anisotropic flow permeabilities at different volume fractions of binder and hydrophobic additives.

a Predictive Model of Permeability for Fractal-Based Rough Rock Fractures during Shear

NASA Astrophysics Data System (ADS)

Huang, Na; Jiang, Yujing; Liu, Richeng; Li, Bo; Zhang, Zhenyu

This study investigates the roles of fracture roughness, normal stress and shear displacement on the fluid flow characteristics through three-dimensional (3D) self-affine fractal rock fractures, whose surfaces are generated using the modified successive random additions (SRA) algorithm. A series of numerical shear-flow tests under different normal stresses were conducted on rough rock fractures to calculate the evolutions of fracture aperture and permeability. The results show that the rough surfaces of fractal-based fractures can be described using the scaling parameter Hurst exponent (H), in which H = 3 - Df, where Df is the fractal dimension of 3D single fractures. The joint roughness coefficient (JRC) distribution of fracture profiles follows a Gauss function with a negative linear relationship between H and average JRC. The frequency curves of aperture distributions change from sharp to flat with increasing shear displacement, indicating a more anisotropic and heterogeneous flow pattern. Both the mean aperture and permeability of fracture increase with the increment of surface roughness and decrement of normal stress. At the beginning of shear, the permeability increases remarkably and then gradually becomes steady. A predictive model of permeability using the mean mechanical aperture is proposed and the validity is verified by comparisons with the experimental results reported in literature. The proposed model provides a simple method to approximate permeability of fractal-based rough rock fractures during shear using fracture aperture distribution that can be easily obtained from digitized fracture surface information.

Commercially Available Gas-Permeable Cell Culture Bags May Not Prevent Anoxia in Cultured or Shipped Islets

PubMed Central

Avgoustiniatos, E.S.; Hering, B.J.; Rozak, P.R.; Wilson, J.R.; Tempelman, L.A.; Balamurugan, A.N.; Welch, D.P.; Weegman, B.P.; Suszynski, T.M.; Papas, K.K.

2009-01-01

Prolonged anoxia has deleterious effects on islets. Gas-permeable cell culture devices can be used to minimize anoxia during islet culture and especially during shipment when elimination of gas-liquid interfaces is required to prevent the formation of damaging gas bubbles. Gas-permeable bags may have several drawbacks, such as propensity for puncture and contamination, difficult islet retrieval, and significantly lower oxygen permeability than silicone rubber membranes (SRM). We hypothesized that oxygen permeability of bags may be insufficient for islet oxygenation. We measured oxygen transmission rates through the membrane walls of three different types of commercially available bags and through SRM currently used for islet shipment. We found that the bag membranes have oxygen transmission rates per unit area about 100-fold lower than SRM. We solved the oxygen diffusion-reaction equation for 150-μm diameter islets seeded at 3000 islet equivalents per cm2, a density adequate to culture and ship an entire human or porcine islet preparation in a single gas-permeable device, predicting that about 40% of the islet volume would be anoxic at 22°C and about 70% would be anoxic at 37°C. Islets of larger size or islets accumulated during shipment would be even more anoxic. The model predicted no anoxia in islets similarly seeded in devices with SRM bottoms. We concluded that commercially available bags may not prevent anoxia during islet culture or shipment; devices with SRM bottoms are more suitable alternatives. PMID:18374080

TORO II simulations of induction heating in ferromagnetic materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adkins, D.R.; Gartling, D.K.; Kelley, J.B.

TORO II is a finite element computer program that is used in the simulation of electric and magnetic fields. This code, which was developed at Sandia National Laboratories, has been coupled with a finite element thermal code, COYOTE II, to predict temperature profiles in inductively heated parts. The development of an effective technique to account for the nonlinear behavior of the magnetic permeability in ferromagnetic parts is one of the more difficult aspects of solving induction heating problems. In the TORO II code, nonlinear, spatially varying magnetic permeability is approximated by an effective permeability on an element-by-element basis that effectivelymore » provides the same energy deposition that is produced when the true permeability is used. This approximation has been found to give an accurate estimate of the volumetric heating distribution in the part, and predicted temperature distributions have been experimentally verified using a medium carbon steel and a 10kW industrial induction heating unit. Work on the model was funded through a Cooperative Research and Development Agreement (CRADA) between the Department of Energy and General Motors` Delphi Saginaw Steering Systems.« less

Inclusion-based effective medium models for the field-scale permeability of 3D fractured rock masses

NASA Astrophysics Data System (ADS)

Ebigbo, Anozie; Lang, Philipp S.; Paluszny, Adriana; Zimmerman, Robert W.

2016-04-01

Fractures that are more permeable than their host rock can act as preferential, or at least additional, pathways for fluid to flow through the rock. The additional transmissivity contributed by these fractures will be of great relevance in several areas of earth science and engineering, such as radioactive waste disposal in crystalline rock, exploitation of fractured hydrocarbon and geothermal reservoirs, or hydraulic fracturing. In describing or predicting flow through fractured rock, the effective permeability of the rock mass, comprising both the rock matrix and a network of fractures, is a crucial parameter, and will depend on several geometric properties of the fractures/networks, such as lateral extent, aperture, orientation, and fracture density. This study investigates the ability of classical inclusion-based effective medium models (following the work of Sævik et al., Transp. Porous Media, 2013) to predict this permeability. In these models, the fractures are represented as thin, spheroidal inclusions, the interiors of which are treated as porous media having a high (but finite) permeability. The predictions of various effective medium models, such as the symmetric and asymmetric self-consistent schemes, the differential scheme, and Maxwell's method, are tested against the results of explicit numerical simulations of mono- and polydisperse isotropic fracture networks embedded in a permeable rock matrix. Comparisons are also made with the Hashin-Shrikman bounds, Snow's model, and Mourzenko's heuristic model (Mourzenko et al., Phys. Rev. E, 2011). This problem is characterised mathematically by two small parameters, the aspect ratio of the spheroidal fractures, α, and the ratio between matrix and fracture permeability, κ. Two different regimes can be identified, corresponding to α/κ < 1 and α/κ > 1. The lower the value of α/κ, the more significant is flow through the matrix. Due to differing flow patterns, the dependence of effective permeability on fracture density differs in the two regimes. When α/κ > 1, a distinct percolation threshold is observed, whereas for α/κ < 1, the matrix is sufficiently transmissive that a percolation-like transition is not observed. The self-consistent effective medium methods show good accuracy for both mono- and polydisperse isotropic fracture networks. Mourzenko's equation is also found to be very accurate, particularly for monodisperse networks. Finally, it is shown that Snow's model essentially coincides with the Hashin-Shtrikman upper bound.

Effective stress law for the permeability and deformation of four porous limestones

NASA Astrophysics Data System (ADS)

Wang, Y.; Meng, F.; Wang, X.; Baud, P.; Wong, T. F.

2017-12-01

The effective stress behavior of a rock is related to the geometric of its pore space. In a microscopically homogeneous assemblage, effective stress coefficients for permeability, volumetric strain and porosity change are predicted to be equal to or less than unity. Experimental measurements are in basic agreement with this prediction, with exceptions particularly in clay-rich sandstones, for which effective stress coefficient for permeability up to 7 was documented. Little is known about carbonates, but Ghabezloo et al. [2009] studied the permeability of an oolitic limestone (from Nimes, France) with 17% porosity and reported effective stress coefficients up to 2.4. We investigated this phenomenon in Indiana, Leitha, Purbeck, and Thala limestones with porosities of 13-30%. Measurements were made at room temperature on water-saturated samples at confining and pore pressures of 7-15 MPa and 1-3 MPa, respectively. Unlike previous studies limited to the permeability, we also determined the effective stress coefficients for volumetric strain and porosity change. Indiana limestone is oolitic, and not surprisingly its behaviour was similar to Nimes limestone, with an effective stress coefficient for permeability of 2.5. Our Indiana limestone data showed that whereas the effective stress coefficient for volumetric strain was <1, that for porosity change was >1. Measurements on Purbeck and Thala limestones are consistent with these inequalities, with effective stress coefficients for permeability and porosity change >1 and that for volumetric strain <1. Even though Purbeck and Thala limestones are micritic with appreciable amount of quartz and dolomite, microstructural and mercury porosimetry data showed that their pore spaces are similar to the oolitic limestones, in that the pore size distribution is bimodal with significant fractions of both macropores and micropores. Berryman [1992] analyzed theoretically a rock made up of two porous constituents. Our new data are in agreement with inequalities he derived for these effective stress coefficients. For comparison, we also studied Leitha limestone predominately made up of macropores. Our measurements showed that in this case all three effective stress coefficients were <1, as predicted for a microscopically homogeneous assemblage.

Oxygen Permeability and Grain-Boundary Diffusion Applied to Alumina Scales

NASA Technical Reports Server (NTRS)

Smialek, James L.; Jacobson, Nathan S.; Gleeson, Brian; Hovis, David B.; Heuer, Arthur H.

2013-01-01

High-temperature oxygen permeability measurements had determined grain-boundary diffusivities (deltaD(sub gb)) in bulk polycrystalline alumina (Wada, Matsudaira, and Kitaoka). They predict that oxygen deltaD(sub gb,O) varies with oxygen pressure as P(O2)(sup -1/6) at low pressure whereas aluminum deltaD(sub gb),Al varies with P(O2)(sup +3/16) at high pressure. These relations were used to evaluate alumina scale growth in terms of diffusivity and grain size. A modified Wagner treatment for dominant inward oxygen growth produces the concise solution: ?(sub i) = k(sub p,i)×G(sub i) = 12 deltaD(sub gb,O,int), where ?(sub i) is a constant and k(sub p,i) and G(sub i) refer to instantaneous values of the scale parabolic growth constant and grain size, respectively. A commercial FeCrAl(Zr) alloy was oxidized at 1100 to 1400 degC to determine k(sub p,i), interfacial grain size, ?, and thus deltaD(sub gb,O,int). The deltaD(sub gb,O,int) values predicted from oxidation at (375 kJ/mole) were about 20 times less than those obtained above (at 298 kJ/mole), but closer than extrapolations from high-temperature bulk measurements. The experimental oxidation results agree with similar FeCrAl(X) studies, especially where both k(sub p,i) and G(sub i) were characterized. This complete approach accounts for temperature-sensitive oxidation effects of grain enlargement, equilibrium interface pressure variation, and grain-boundary diffusivity.

Electrokinetic coupling in unsaturated porous media.

PubMed

Revil, A; Linde, N; Cerepi, A; Jougnot, D; Matthäi, S; Finsterle, S

2007-09-01

We consider a charged porous material that is saturated by two fluid phases that are immiscible and continuous on the scale of a representative elementary volume. The wetting phase for the grains is water and the nonwetting phase is assumed to be an electrically insulating viscous fluid. We use a volume-averaging approach to derive the linear constitutive equations for the electrical current density as well as the seepage velocities of the wetting and nonwetting phases on the scale of a representative elementary volume. These macroscopic constitutive equations are obtained by volume-averaging Ampère's law together with the Nernst-Planck equation and the Stokes equations. The material properties entering the macroscopic constitutive equations are explicitly described as functions of the saturation of the water phase, the electrical formation factor, and parameters that describe the capillary pressure function, the relative permeability functions, and the variation of electrical conductivity with saturation. New equations are derived for the streaming potential and electro-osmosis coupling coefficients. A primary drainage and imbibition experiment is simulated numerically to demonstrate that the relative streaming potential coupling coefficient depends not only on the water saturation, but also on the material properties of the sample, as well as the saturation history. We also compare the predicted streaming potential coupling coefficients with experimental data from four dolomite core samples. Measurements on these samples include electrical conductivity, capillary pressure, the streaming potential coupling coefficient at various levels of saturation, and the permeability at saturation of the rock samples. We found very good agreement between these experimental data and the model predictions.

Permeability evolution associated to creep and episodic slow slip of a fault affecting clay formations: Results from the FS fault activation experiment in Mt Terri (Switzerland).

NASA Astrophysics Data System (ADS)

Guglielmi, Y.; Nussbaum, C.; Birkholzer, J. T.; De Barros, L.; Cappa, F.

2017-12-01

There is a large spectrum of fault slow rupture processes such as stable creep and slow slip that radiate no or little seismic energy, and which relationships to normal earthquakes and fault permeability variations are enigmatic. Here we present measurements of a fault slow rupture, permeability variation and seismicity induced by fluid-injection in a fault affecting the Opalinus clay (Mt Terri URL, Switzerland) at a depth of 300 m. We observe multiple dilatant slow slip events ( 0.1-to-30 microm/s) associated with factor-of-1000 increase of permeability, and terminated by a magnitude -2.5 main seismic event associated with a swarm of very small magnitude ones. Using fully coupled numerical modeling, we calculate that the short term velocity strengthening behavior observed experimentally at laboratory scale is overcome by longer slip weakening that may be favored by slip induced dilation. Two monitoring points set across the fault allow estimating that, at the onset of the seismicity, the radius of the fault patch invaded by pressurized fluid is 9-to-11m which is in good accordance with a fault instability triggering when the dimensions of the critical slip distance are overcome. We then observe that the long term slip weakening is associated to an exponential permeability increase caused by a cumulated effective normal stress drop of about 3.4MPa which controls the successive slip activation of multiple fracture planes inducing a 0.1MPa shear stress drop in the fault zone. Therefore, our data suggest that the induced earthquake that terminated the rupture sequence may have represented enough dynamic stress release to arrest the fault permeability increase, suggesting the high sensitivity of the slow rupture processes to the structural heterogeneity of the fault zone hydromechanical properties.

Modeling the effects of hydraulic stimulation on geothermal reservoirs

NASA Astrophysics Data System (ADS)

De Simone, Silvia; Vilarrasa, Victor; Carrera, Jesús; Alcolea, Andrés; Meier, Peter

2013-04-01

Geothermal energy represents a huge power source that can provide clean energy in potentially unlimited supply. When designing geothermal energy production from deep hot rocks, permeability is considered to control the economic efficiency of the heat extraction operations. In fact, a high permeability heat exchanger is required to achieve a cost-competitive power generation. The typical procedure entails intercepting naturally fractured rocks and enhancing their permeability by means of stimulation. Hydraulic stimulation is the most widely used method. It involves the massive injection of a large volume of water at high flow rates to increase the downhole pore pressure. This overpressure reduces the effective stresses, which tends to induce shearing along the fracture planes. In this way permeability is enhanced due to dilatancy, especially in the direction perpendicular to shear. These processes usually trigger microseismic events, which are sometimes of sufficient magnitude to be felt by the local population. This causes a negative impact on the local population and may compromise the continuation of the project. Hence, understanding the mechanisms triggering these induced micro-earthquakes is important to properly design and manage geothermal stimulation and operations so as to prevent them. We analyzed the thermo-hydro-mechanical response of a fractured deep rock mass subjected to hydraulic stimulation. Considering that seismicity is triggered when failure condition are reached, we studied the variation of the stress regime due to the hydraulic and thermal perturbations during fluid injection. Starting with a simplified model with constant permeability fault zones, more sophisticated schemes are considered to simulate the behavior of the discontinuity zones, including permeability variation associated to temperature, pressure and stress regime changes. Numerical simulations are performed using the finite element numerical code CODE_BRIGHT, which allows to solve fully coupled thermo-hydro-mechanical problems. Results allowed to estimate the impact of the hydraulic stimulation on the overall behavior.

Soil salinity study in Northern Great Plains sodium affected soil

NASA Astrophysics Data System (ADS)

Kharel, Tulsi P.

Climate and land-use changes when combined with the marine sediments that underlay portions of the Northern Great Plains have increased the salinization and sodification risks. The objectives of this dissertation were to compare three chemical amendments (calcium chloride, sulfuric acid and gypsum) remediation strategies on water permeability and sodium (Na) transport in undisturbed soil columns and to develop a remote sensing technique to characterize salinization in South Dakota soils. Forty-eight undisturbed soil columns (30 cm x 15 cm) collected from White Lake, Redfield, and Pierpont were used to assess the chemical remediation strategies. In this study the experimental design was a completely randomized design and each treatment was replicated four times. Following the application of chemical remediation strategies, 45.2 cm of water was leached through these columns. The leachate was separated into 120- ml increments and analyzed for Na and electrical conductivity (EC). Sulfuric acid increased Na leaching, whereas gypsum and CaCl2 increased water permeability. Our results further indicate that to maintain effective water permeability, ratio between soil EC and sodium absorption ratio (SAR) should be considered. In the second study, soil samples from 0-15 cm depth in 62 x 62 m grid spacing were taken from the South Dakota Pierpont (65 ha) and Redfield (17 ha) sites. Saturated paste EC was measured on each soil sample. At each sampling points reflectance and derived indices (Landsat 5, 7, 8 images), elevation, slope and aspect (LiDAR) were extracted. Regression models based on multiple linear regression, classification and regression tree, cubist, and random forest techniques were developed and their ability to predict soil EC were compared. Results showed that: 1) Random forest method was found to be the most effective method because of its ability to capture spatially correlated variation, 2) the short wave infrared (1.5 -2.29 mum) and near infrared (0.75-0.90 mum) were very sensitive to soil salinity; 3) EC prediction model using all 3 season (spring, summer and fall) images was better on state wide validation dataset compared to individual season model. Finally, in eastern South Dakota, the model predicted that from 2008 to 2012, EC increased in 569,165 ha or 13.4% of the land seeded to corn (Zea mays L.) or soybeans (Glycine max L).

Influence of chain ordering on the selectivity of dipalmitoylphosphatidylcholine bilayer membranes for permeant size and shape.

PubMed Central

Xiang, T X; Anderson, B D

1998-01-01

The effects of lipid chain packing and permeant size and shape on permeability across lipid bilayers have been investigated in gel and liquid crystalline dipalmitoylphosphatidylcholine (DPPC) bilayers by a combined NMR line-broadening/dynamic light scattering method using seven short-chain monocarboxylic acids (formic acid, acetic acid, propionic acid, butyric acid, valeric acid, isovaleric acid, and trimethylacetic acid) as permeants. The experimental permeability coefficients are compared with the predictions of a bulk solubility diffusion model in which the bilayer membrane is represented as a slab of bulk hexadecane. Deviations of the observed permeability coefficients (Pm) from the values predicted from solubility diffusion theory (Po) lead to the determination of a correction factor, the permeability decrement f (= Pm/Po), to account for the effects of chain ordering. The natural logarithm of f has been found to correlate linearly with the inverse of the bilayer free surface area with slopes of 25 +/- 2, 36 +/- 3, 45 +/- 8, 32 +/- 12, 33 +/- 4, 49 +/- 12, and 75 +/- 6 A2 for formic acid, acetic acid, propionic acid, butyric acid, valeric acid, isovaleric acid, and trimethylacetic acid, respectively. The slope, which measures the sensitivity of the permeability coefficient of a given permeant to bilayer chain packing, exhibits an excellent linear correlation (r = 0.94) with the minimum cross-sectional area of the permeant and a poor correlation (r = 0.59) with molecular volume, suggesting that in the bilayer interior the permeants prefer to move with their long principal axis along the bilayer normal. Based on these studies, a permeability model combining the effects of bilayer chain packing and permeant size and shape on permeability across lipid membranes is developed. PMID:9826590

Growth and dissolution of an encapsulated contrast microbubble: effects of encapsulation permeability

PubMed Central

Sarkar, Kausik; Katiyar, Amit; Jain, Pankaj

2009-01-01

Gas diffusion from an encapsulated microbubble is modeled using an explicit linear relation for gas permeation through the encapsulation. Both the cases of single gas (air) and multiple gases (perfluorocarbon inside the bubble and air dissolved in surrounding liquid) are considered. An analytical expression for the dissolution time for an encapsulated air bubble is obtained; it showed that for small permeability the dissolution time increases linearly with decreasing permeability. A perfluorocarbon-filled contrast microbubble such as Definity was predicted to experience a transient growth due to air infusion before it dissolves in conformity with previous experimental findings. The growth phase occurs only for bubbles with a critical value of initial partial mole fraction of perfluorocarbon relative to air. With empirically obtained property values, the dissolution time of a 2.5 micron diameter (same as that of Definity) lipid coated octafluoropropane bubble with surface tension 25 mN/m predicts a lifetime of 42 minutes in an air saturated medium. The properties such as shell permeability, surface tension, relative mole fraction of octafluoropropane are varied to investigate their effects on the time scales of bubble growth and dissolution including their asymptotic scalings where appropriate. The dissolution dynamics scales with permeability, in that when the time is nondimensioanlized with permeability, curves for different permeabilities collapse on a single curve. Investigation of bubbles filled with other gases (non-octafluoropropane perfluorocarbon and sulfur hexafluoride) indicates longer dissolution time due to lower solubility and lower diffusivity for larger gas molecules. For such micron size encapsulated bubbles, lifetime of hours is possible only at extremely low surface tension (<1mN/m) or at extreme oversaturation. PMID:19616160

Testing high resolution numerical models for analysis of contaminant storage and release from low permeability zones.

PubMed

Chapman, Steven W; Parker, Beth L; Sale, Tom C; Doner, Lee Ann

2012-08-01

It is now widely recognized that contaminant release from low permeability zones can sustain plumes long after primary sources are depleted, particularly for chlorinated solvents where regulatory limits are orders of magnitude below source concentrations. This has led to efforts to appropriately characterize sites and apply models for prediction incorporating these effects. A primary challenge is that diffusion processes are controlled by small-scale concentration gradients and capturing mass distribution in low permeability zones requires much higher resolution than commonly practiced. This paper explores validity of using numerical models (HydroGeoSphere, FEFLOW, MODFLOW/MT3DMS) in high resolution mode to simulate scenarios involving diffusion into and out of low permeability zones: 1) a laboratory tank study involving a continuous sand body with suspended clay layers which was 'loaded' with bromide and fluorescein (for visualization) tracers followed by clean water flushing, and 2) the two-layer analytical solution of Sale et al. (2008) involving a relatively simple scenario with an aquifer and underlying low permeability layer. All three models are shown to provide close agreement when adequate spatial and temporal discretization are applied to represent problem geometry, resolve flow fields and capture advective transport in the sands and diffusive transfer with low permeability layers and minimize numerical dispersion. The challenge for application at field sites then becomes appropriate site characterization to inform the models, capturing the style of the low permeability zone geometry and incorporating reasonable hydrogeologic parameters and estimates of source history, for scenario testing and more accurate prediction of plume response, leading to better site decision making. Copyright © 2012 Elsevier B.V. All rights reserved.

Permeability anisotropy in marine mudstones in the Nankai Trough, SW Japan: Implications for hypothesized lateral fluid flow and chemical transport outboard of the trench

NASA Astrophysics Data System (ADS)

Saffer, D. M.; McKiernan, A. W.; Skarbek, R. M.

2008-12-01

Characterizing dewatering pathways and chemical fluxes near and outboard of subduction trenches is important toward understanding early sediment dewatering and devolatilization. Quantifying fluid flow rates also constrains the hydraulic gradients driving flow, and thus ultimately hold implications for pore pressure distribution and fault mechanical strength. We focus on the well-studied Nankai Trough offshore SW Japan, where drilling has sampled the sedimentary section at several boreholes from ~11 km outboard of the trench to 3 km landward. At these drillsites, &δ37Cl data and correlation of distinct extrema in downhole chloride profiles have been interpreted to reflect substantial horizontal fluid flow to >10 km outboard of the trench within the ~400 m-thick, homogeneous Lower Shikoku Basin (LSB) facies mudstone. The estimated horizontal velocities are 13 ± 5 cm yr-1; the flow is presumably driven by loading during subduction, and mediated by either permeable conduits or strong anisotropy in permeability. However, the pressure gradients and sediment permeabilities necessary for such flow have not been quantified. Here, we address this problem by combining (1) laboratory measurement of horizontal and vertical sediment permeability from a combination of constant rate of strain (CRS) consolidation tests and flow-through measurements on core samples; and (2) numerical models of fluid flow within a cross section perpendicular to the trench. In our models, we assign hydrostatic pressure at the top and seaward edges, a no-flow condition at the base of the sediments, and pore pressures ranging from 40%-100% of lithostatic at the arcward model boundary. We assign sediment permeability on the basis of our laboratory measurements, and evaluate the possible role of thin permeable conduits as well as strong anisotropy in the incoming section. Our laboratory results define a systematic log-linear relationship between sediment permeability and porosity within the LSB mudstones. The overall variation in permeability for our suite of samples is ~1 order of magnitude. Notably, horizontal permeabilities fall within the range of measured vertical permeabilities, and indicate no significant anisotropy. Using laboratory-derived permeability values, simulated horizontal flow rates range from 10-4 to 10-1 cm yr-1, and decrease dramatically with distance seaward of the trench. With permeability anisotropy of 1000x (i.e. kh = 1000kv), simulated flow rates peak at 3 cm yr-1 at the trench, and decrease to 3x10-1 cm yr-1 by 10 km seaward. These flow rates are substantially lower than those inferred from the geochemical data and also lower than the plate convergence rate of 4 cm yr-1, such that net transport of fluids out of the subduction zone is not likely. If discrete conduits are included in our models, permeabilities of ~10-114m2 are required to sustain the inferred flow rates. However, no potential conduits in the LSB were observed by coring or logging- while-drilling. In contrast, net egress of fluids - and associated chemical transport and pressure translation - are plausible at margins where continuous permeable strata are subducting. Overall, our results highlight a major discrepancy between constraints on fluid flow derived from physical hydrogeology and inferences from geochemical data. In this case, we suggest that the chemical signals may be affected by other processes such as in situ clay dehydration and down-section chemical variations.

Are Geotehrmal Reservoirs Stressed Out?

NASA Astrophysics Data System (ADS)

Davatzes, N. C.; Laboso, R. C.; Layland-Bachmann, C. E.; Feigl, K. L.; Foxall, W.; Tabrez, A. R.; Mellors, R. J.; Templeton, D. C.; Akerley, J.

2017-12-01

Crustal permeability can be strongly influenced by developing connected networks of open fractures. However, the detailed evolution of a fracture network, its extent, and the persistence of fracture porosity are difficult to analyze. Even in fault-hosted geothermal systems, where heat is brought to the surface from depth along a fault, hydrothermal flow is heterogeneously distributed. This is presumably due to variations in fracture density, connectivity, and attitude, as well as variations in fracture permeability caused by sealing of fractures by precipitated cements or compaction. At the Brady Geothermal field in Nevada, we test the relationship between the modeled local stress state perturbed by dislocations representing fault slip or volume changes in the geothermal reservoir inferred from surface deformation measured by InSAR and the location of successful geothermal wells, hydrothermal activity, and seismicity. We postulate that permeability is favored in volumes that experience positive Coulomb stress changes and reduced compression, which together promote high densities of dilatant fractures. Conversely, permeability can be inhibited in locations where Coulomb stress is reduced, compression promotes compaction, or where the faults are poorly oriented in the stress field and consequently slip infrequently. Over geologic time scales spanning the development of the fault system, these local stress states are strongly influenced by the geometry of the fault network relative to the remote stress driving slip. At shorter time scales, changes in fluid pressure within the fracture network constituting the reservoir cause elastic dilations and contractions. We integrate: (1) direct observations of stress state and fractures in boreholes and the mapped geometry of the fault network; (2) evidence of permeability from surface hydrothermal features, production/injection wells and surface deformations related to pumping history; and (3) seismicity to test the correlation between the reservoir geometry and models of the local stress state.

A combined numerical and experimental framework for determining permeability properties of the arterial media.

PubMed

Comerford, A; Chooi, K Y; Nowak, M; Weinberg, P D; Sherwin, S J

2015-04-01

The medial layer of the arterial wall may play an important role in the regulation of water and solute transport across the wall. In particular, a high medial resistance to transport could cause accumulation of lipid-carrying molecules in the inner wall. In this study, the water transport properties of medial tissue were characterised in a numerical model, utilising experimentally obtained data for the medial microstructure and the relative permeability of different constituents. For the model, a new solver for flow in porous materials, based on a high-order splitting scheme, was implemented in the spectral/hp element library nektar++ and validated. The data were obtained by immersing excised aortic bifurcations in a solution of fluorescent protein tracer and subsequently imaging them with a confocal microscope. Cuboidal regions of interest were selected in which the microstructure and relative permeability of different structures were transformed to a computational mesh. Impermeable objects were treated fictitiously in the numerical scheme. On this cube, a pressure drop was applied in the three coordinate directions and the principal components of the permeability tensor were determined. The reconstructed images demonstrated the arrangement of elastic lamellae and interspersed smooth muscle cells in rat aortic media; the distribution and alignment of the smooth muscle cells varied spatially within the extracellular matrix. The numerical simulations highlighted that the heterogeneity of the medial structure is important in determining local water transport properties of the tissue, resulting in regional and directional variation of the permeability tensor. A major factor in this variation is the alignment and density of smooth muscle cells in the media, particularly adjacent to the adventitial layer.

Unraveling the dynamics of magmatic CO2 degassing at Mammoth Mountain, California

NASA Astrophysics Data System (ADS)

Peiffer, Loïc; Wanner, Christoph; Lewicki, Jennifer L.

2018-02-01

The accumulation of magmatic CO2 beneath low-permeability barriers may lead to the formation of CO2-rich gas reservoirs within volcanic systems. Such accumulation is often evidenced by high surface CO2 emissions that fluctuate over time. The temporal variability in surface degassing is believed in part to reflect a complex interplay between deep magmatic degassing and the permeability of degassing pathways. A better understanding of the dynamics of CO2 degassing is required to improve monitoring and hazards mitigation in these systems. Owing to the availability of long-term records of CO2 emissions rates and seismicity, Mammoth Mountain in California constitutes an ideal site towards such predictive understanding. Mammoth Mountain is characterized by intense soil CO2 degassing (up to ∼1000 t d-1) and tree kill areas that resulted from leakage of CO2 from a CO2-rich gas reservoir located in the upper ∼4 km. The release of CO2-rich fluids from deeper basaltic intrusions towards the reservoir induces seismicity and potentially reactivates faults connecting the reservoir to the surface. While this conceptual model is well-accepted, there is still a debate whether temporally variable surface CO2 fluxes directly reflect degassing of intrusions or variations in fault permeability. Here, we report the first large-scale numerical model of fluid and heat transport for Mammoth Mountain. We discuss processes (i) leading to the initial formation of the CO2-rich gas reservoir prior to the occurrence of high surface CO2 degassing rates and (ii) controlling current CO2 degassing at the surface. Although the modeling settings are site-specific, the key mechanisms discussed in this study are likely at play at other volcanic systems hosting CO2-rich gas reservoirs. In particular, our model results illustrate the role of convection in stripping a CO2-rich gas phase from a rising hydrothermal fluid and leading to an accumulation of a large mass of CO2 (∼107-108 t) in a shallow gas reservoir. Moreover, we show that both, short-lived (months to years) and long-lived (hundreds of years) events of magmatic fluid injection can lead to critical pressures within the reservoir and potentially trigger fault reactivation. Our sensitivity analysis suggests that observed temporal fluctuations in surface degassing are only indirectly controlled by variations in magmatic degassing and are mainly the result of temporally variable fault permeability. Finally, we suggest that long-term CO2 emission monitoring, seismic tomography and coupled thermal-hydraulic-mechanical modeling are important for CO2-related hazard mitigation.

Permeability Estimation Directly From Logging-While-Drilling Induced Polarization Data

NASA Astrophysics Data System (ADS)

Fiandaca, G.; Maurya, P. K.; Balbarini, N.; Hördt, A.; Christiansen, A. V.; Foged, N.; Bjerg, P. L.; Auken, E.

2018-04-01

In this study, we present the prediction of permeability from time domain spectral induced polarization (IP) data, measured in boreholes on undisturbed formations using the El-log logging-while-drilling technique. We collected El-log data and hydraulic properties on unconsolidated Quaternary and Miocene deposits in boreholes at three locations at a field site in Denmark, characterized by different electrical water conductivity and chemistry. The high vertical resolution of the El-log technique matches the lithological variability at the site, minimizing ambiguity in the interpretation originating from resolution issues. The permeability values were computed from IP data using a laboratory-derived empirical relationship presented in a recent study for saturated unconsolidated sediments, without any further calibration. A very good correlation, within 1 order of magnitude, was found between the IP-derived permeability estimates and those derived using grain size analyses and slug tests, with similar depth trends and permeability contrasts. Furthermore, the effect of water conductivity on the IP-derived permeability estimations was found negligible in comparison to the permeability uncertainties estimated from the inversion and the laboratory-derived empirical relationship.

Influence of effective stress and dry density on the permeability of municipal solid waste.

PubMed

Zhang, Zhenying; Wang, Yingfeng; Xu, Hui; Fang, Yuehua; Wu, Dazhi

2018-05-01

A landfill is one of the main sites for disposal of municipal solid waste and the current landfill disposal system faces several problems. For instance, excessive leachate water is an important factor leading to landfill instability. Understanding the permeability characteristics of municipal solid waste is a relevant topic in the field of environmental geotechnical engineering. In this paper, the current research progress on permeability characteristics of municipal solid waste is discussed. A review of recent studies indicates that the research in this field is divided into two categories based on the experimental method employed: field tests and laboratory tests. This paper summarizes test methods, landfill locations, waste ages, dry densities and permeability coefficients across different studies that focus on permeability characteristics. Additionally, an experimental study on compressibility and permeability characteristics of fresh municipal solid waste under different effective stresses and compression times was carried out. Moreover, the relationships between the permeability coefficient and effective stress as well as dry density were obtained and a permeability prediction model was established. Finally, the experimental results from the existing literature and this paper were compared and the effects of effective stress and dry density on the permeability characteristics of municipal solid waste were summarized. This study provides the basis for analysis of leachate production in a landfill.

Hydrotropic Solubilization of Lipophilic Drugs for Oral Delivery: The Effects of Urea and Nicotinamide on Carbamazepine Solubility–Permeability Interplay

PubMed Central

Beig, Avital; Lindley, David; Miller, Jonathan M.; Agbaria, Riad; Dahan, Arik

2016-01-01

Hydrotropy refers to increasing the water solubility of otherwise poorly soluble compound by the presence of small organic molecules. While it can certainly increase the apparent solubility of a lipophilic drug, the effect of hydrotropy on the drugs’ permeation through the intestinal membrane has not been studied. The purpose of this work was to investigate the solubility–permeability interplay when using hydrotropic drug solubilization. The concentration-dependent effects of the commonly used hydrotropes urea and nicotinamide, on the solubility and the permeability of the lipophilic antiepileptic drug carbamazepine were studied. Then, the solubility–permeability interplay was mathematically modeled, and was compared to the experimental data. Both hydrotropes allowed significant concentration-dependent carbamazepine solubility increase (up to ∼30-fold). A concomitant permeability decrease was evident both in vitro and in vivo (∼17-fold for nicotinamide and ∼9-fold for urea), revealing a solubility–permeability tradeoff when using hydrotropic drug solubilization. A relatively simplified simulation approach based on proportional opposite correlation between the solubility increase and the permeability decrease at a given hydrotrope concentration allowed excellent prediction of the overall solubility–permeability tradeoff. In conclusion, when using hydrotropic drug solubilization it is prudent to not focus solely on solubility, but to account for the permeability as well; achieving optimal solubility–permeability balance may promote the overall goal of the formulation to maximize oral drug exposure. PMID:27826241

Gas permeability of ice-templated, unidirectional porous ceramics

NASA Astrophysics Data System (ADS)

Seuba, Jordi; Deville, Sylvain; Guizard, Christian; Stevenson, Adam J.

2016-01-01

We investigate the gas flow behavior of unidirectional porous ceramics processed by ice-templating. The pore volume ranged between 54% and 72% and pore size between 2.9 ?m and 19.1 ?m. The maximum permeability (?? m?) was measured in samples with the highest total pore volume (72%) and pore size (19.1 ?m). However, we demonstrate that it is possible to achieve a similar permeability (?? m?) at 54% pore volume by modification of the pore shape. These results were compared with those reported and measured for isotropic porous materials processed by conventional techniques. In unidirectional porous materials tortuosity (?) is mainly controlled by pore size, unlike in isotropic porous structures where ? is linked to pore volume. Furthermore, we assessed the applicability of Ergun and capillary model in the prediction of permeability and we found that the capillary model accurately describes the gas flow behavior of unidirectional porous materials. Finally, we combined the permeability data obtained here with strength data for these materials to establish links between strength and permeability of ice-templated materials.

Focal Low and Global High Permeability Predict the Possibility, Risk, and Location of Hemorrhagic Transformation following Intra-Arterial Thrombolysis Therapy in Acute Stroke.

PubMed

Li, Y; Xia, Y; Chen, H; Liu, N; Jackson, A; Wintermark, M; Zhang, Y; Hu, J; Wu, B; Zhang, W; Tu, J; Su, Z; Zhu, G

2017-09-01

The contrast volume transfer coefficient ( K trans ), which reflects blood-brain barrier permeability, is influenced by circulation and measurement conditions. We hypothesized that focal low BBB permeability values can predict the spatial distribution of hemorrhagic transformation and global high BBB permeability values can predict the likelihood of hemorrhagic transformation. We retrospectively enrolled 106 patients with hemispheric stroke who received intra-arterial thrombolytic treatment. K trans maps were obtained with first-pass perfusion CT data. The K trans values at the region level, obtained with the Alberta Stroke Program Early CT Score system, were compared to determine the differences between the hemorrhagic transformation and nonhemorrhagic transformation regions. The K trans values of the whole ischemic region based on baseline perfusion CT were obtained as a variable to hemorrhagic transformation possibility at the global level. Forty-eight (45.3%) patients had hemorrhagic transformation, and 21 (19.8%) had symptomatic intracranial hemorrhage. At the region level, there were 82 ROIs with hemorrhagic transformation and parenchymal hemorrhage with a mean K trans , 0.5 ± 0.5/min, which was significantly lower than that in the nonhemorrhagic transformation regions ( P < .01). The mean K trans value of 615 nonhemorrhagic transformation ROIs was 0.7 ± 0.6/min. At the global level, there was a significant difference ( P = .01) between the mean K trans values of patients with symptomatic intracranial hemorrhage (1.3 ± 0.9) and those without symptomatic intracranial hemorrhage (0.8 ± 0.4). Only a high K trans value at the global level could predict the occurrence of symptomatic intracranial hemorrhage ( P < .01; OR = 5.04; 95% CI, 2.01-12.65). Global high K trans values can predict the likelihood of hemorrhagic transformation or symptomatic intracranial hemorrhage at the patient level, whereas focal low K trans values can predict the spatial distributions of hemorrhagic transformation at the region level. © 2017 by American Journal of Neuroradiology.

Measuring and predicting reservoir heterogeneity in complex deposystems: The fluvial-deltaic Big Injun sandstone in West Virginia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patchen, D.G.; Hohn, M.E.; Aminian, K.

1993-04-01

The purpose of this research is to develop techniques to measure and predict heterogeneities in oil reservoirs that are the products of complex deposystems. The unit chosen for study is the Lower Mississippian Big Injun sandstone, a prolific oil producer (nearly 60 fields) in West Virginia. This research effort has been designed and is being implemented as an integrated effort involving stratigraphy, structural geology, petrology, seismic study, petroleum engineering, modeling and geostatistics. Sandstone bodies are being mapped within their regional depositional systems, and then sandstone bodies are being classified in a scheme of relative heterogeneity to determine heterogeneity across depositionalmore » systems. Facies changes are being mapped within given reservoirs, and the environments of deposition responsible for each facies are being interpreted to predict the inherent relative heterogeneity of each facies. Structural variations will be correlated both with production, where the availability of production data will permit, and with variations in geologic and engineering parameters that affect production. A reliable seismic model of the Big Injun reservoirs in Granny Creek field is being developed to help interpret physical heterogeneity in that field. Pore types are being described and related to permeability, fluid flow and diagenesis, and petrographic data are being integrated with facies and depositional environments to develop a technique to use diagenesis as a predictive tool in future reservoir development. Another objective in the Big Injun study is to determine the effect of heterogeneity on fluid flow and efficient hydrocarbon recovery in order to improve reservoir management. Graphical methods will be applied to Big Injun production data and new geostatistical methods will be developed to detect regional trends in heterogeneity.« less

Measuring and predicting reservoir heterogeneity in complex deposystems: The fluvial-deltaic Big Injun sandstone in West Virginia. Annual report, September 20, 1991--September 20, 1992

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patchen, D.G.; Hohn, M.E.; Aminian, K.

1993-04-01

The purpose of this research is to develop techniques to measure and predict heterogeneities in oil reservoirs that are the products of complex deposystems. The unit chosen for study is the Lower Mississippian Big Injun sandstone, a prolific oil producer (nearly 60 fields) in West Virginia. This research effort has been designed and is being implemented as an integrated effort involving stratigraphy, structural geology, petrology, seismic study, petroleum engineering, modeling and geostatistics. Sandstone bodies are being mapped within their regional depositional systems, and then sandstone bodies are being classified in a scheme of relative heterogeneity to determine heterogeneity across depositionalmore » systems. Facies changes are being mapped within given reservoirs, and the environments of deposition responsible for each facies are being interpreted to predict the inherent relative heterogeneity of each facies. Structural variations will be correlated both with production, where the availability of production data will permit, and with variations in geologic and engineering parameters that affect production. A reliable seismic model of the Big Injun reservoirs in Granny Creek field is being developed to help interpret physical heterogeneity in that field. Pore types are being described and related to permeability, fluid flow and diagenesis, and petrographic data are being integrated with facies and depositional environments to develop a technique to use diagenesis as a predictive tool in future reservoir development. Another objective in the Big Injun study is to determine the effect of heterogeneity on fluid flow and efficient hydrocarbon recovery in order to improve reservoir management. Graphical methods will be applied to Big Injun production data and new geostatistical methods will be developed to detect regional trends in heterogeneity.« less

Cyclic Explosivity in High Elevation Phreatomagmatic Eruptions at Ocean Island Volcanoes: Implications for Aquifer Pressurization and Volcano Flank Destabilization.

NASA Astrophysics Data System (ADS)

Tarff, R.; Day, S. J.; Downes, H.; Seghedi, I.

2015-12-01

Groundwater heating and pressurization of aquifers trapped between dikes in ocean island volcanoes has been proposed as a mechanism for destabilizing and triggering large-volume flank collapses. Previous modelling has indicated that heat transfer from sustained magma flow through dikes during eruption has the potential to produce destabilizing levels of pressure on time scales of 4 to 400 days, if the aquifers remain confined. Here we revisit this proposal from a different perspective. We examine evidence for pressure variations in dike-confined aquifers during eruptions at high elevation vents on ocean island volcanoes. Initially magmatic, these eruptions change to mostly small-volume explosive phreatomagmatic activity. A recent example is the 1949 eruption on La Palma, Canary Islands. Some such eruptions involve sequences of larger-volume explosive phases or cycles, including production of voluminous low-temperature, pyroclastic density currents (PDC). Here we present and interpret data from the Cova de Paul crater eruption (Santo Antao, Cape Verde Islands). The phreatomagmatic part of this eruption formed two cycles, each culminating with eruption of PDCs. Compositional and textural variations in the products of both cycles indicate that the diatreme fill began as coarse-grained and permeable which allowed gas to escape. During the eruption, the fill evolved to a finer grained, poorly sorted, less permeable material, in which pore fluid pressures built up to produce violent explosive phases. This implies that aquifers adjacent to the feeder intrusion were not simply depressurized at the onset of phreatomagmatic explosivity but experienced fluctuations in pressure throughout the eruption as the vent repeatedly choked and emptied. In combination with fluctuations in magma supply rate, driving of aquifer pressurization by cyclical vent choking will further complicate the prediction of flank destabilization during comparable eruptions on ocean island volcanoes.

A relationship between porosity and permeability of carbonate rock reservoirs

NASA Astrophysics Data System (ADS)

Lee, J.; Park, Y.; Jo, Y.; Jeong, J.; Eom, S.

2009-12-01

Most of oil reservoirs in the world occur in carbonate rocks. Thus, characterization of the carbonate reservoirs, including understanding the correlation between porosity and permeability is essentially required to enhance oil recovery. Compared with the other sedimentary rocks such as sandstone and shale, the carbonate rocks would exhibit a wide variety of vertical and horizontal heterogeneities. In general, pores of the carbonate rocks can be affected by mineral dissolution, replacement by other minerals and re-crystallization, which are the post-depositional processes. Permeability has been estimated at a wide scale by thin section image analysis, rock core experiments, geophysical well logging data and large scale aquifer tests. For the same porosity, the permeability might show a wide variation. In this study, a large number of the porosity and the permeability data pairs for world wide carbonate rocks (reservoirs) were collected from many literatures. The porosity and permeability data were grouped according to test scale, the reservoir location and the rock types. As is already known, the relation showed a rather scattered distribution also in this study, not monotonous, which indicates that higher porosity does not mean higher permeability of the rock formation. This study provides the analysis results and implications for oil production of the carbonate reservoirs. This research was funded by Energy Efficiency and Resources Program of KETEP (Korea Institute of Energy Technology Evaluation and Planning), Grant No. 2009T100200058.

The solubility-permeability interplay and its implications in formulation design and development for poorly soluble drugs.

PubMed

Dahan, Arik; Miller, Jonathan M

2012-06-01

While each of the two key parameters of oral drug absorption, the solubility and the permeability, has been comprehensively studied separately, the relationship and interplay between the two have been largely ignored. For instance, when formulating a low-solubility drug using various solubilization techniques: what are we doing to the apparent permeability when we increase the solubility? Permeability is equal to the drug's diffusion coefficient through the membrane times the membrane/aqueous partition coefficient divided by the membrane thickness. The direct correlation between the intestinal permeability and the membrane/aqueous partitioning, which in turn is dependent on the drug's apparent solubility in the GI milieu, suggests that the solubility and the permeability are closely associated, exhibiting a certain interplay between them, and the current view of treating the one irrespectively of the other may not be sufficient. In this paper, we describe the research that has been done thus far, and present new data, to shed light on this solubility-permeability interplay. It has been shown that decreased apparent permeability accompanies the solubility increase when using different solubilization methods. Overall, the weight of the evidence indicates that the solubility-permeability interplay cannot be ignored when using solubility-enabling formulations; looking solely at the solubility enhancement that the formulation enables may be misleading with regards to predicting the resulting absorption, and hence, the solubility-permeability interplay must be taken into account to strike the optimal solubility-permeability balance, in order to maximize the overall absorption.

A method to predict different mechanisms for blood-brain barrier permeability of CNS activity compounds in Chinese herbs using support vector machine.

PubMed

Jiang, Ludi; Chen, Jiahua; He, Yusu; Zhang, Yanling; Li, Gongyu

2016-02-01

The blood-brain barrier (BBB), a highly selective barrier between central nervous system (CNS) and the blood stream, restricts and regulates the penetration of compounds from the blood into the brain. Drugs that affect the CNS interact with the BBB prior to their target site, so the prediction research on BBB permeability is a fundamental and significant research direction in neuropharmacology. In this study, we combed through the available data and then with the help of support vector machine (SVM), we established an experiment process for discovering potential CNS compounds and investigating the mechanisms of BBB permeability of them to advance the research in this field four types of prediction models, referring to CNS activity, BBB permeability, passive diffusion and efflux transport, were obtained in the experiment process. The first two models were used to discover compounds which may have CNS activity and also cross the BBB at the same time; the latter two were used to elucidate the mechanism of BBB permeability of those compounds. Three optimization parameter methods, Grid Search, Genetic Algorithm (GA), and Particle Swarm Optimization (PSO), were used to optimize the SVM models. Then, four optimal models were selected with excellent evaluation indexes (the accuracy, sensitivity and specificity of each model were all above 85%). Furthermore, discrimination models were utilized to study the BBB properties of the known CNS activity compounds in Chinese herbs and this may guide the CNS drug development. With the relatively systematic and quick approach, the application rationality of traditional Chinese medicines for treating nervous system disease in the clinical practice will be improved.

110 Years of the Meyer–Overton Rule: Predicting Membrane Permeability of Gases and Other Small Compounds

PubMed Central

Missner, Andreas; Pohl, Peter

2010-01-01

The transport of gaseous compounds across biological membranes is essential in all forms of life. Although it was generally accepted that gases freely penetrate the lipid matrix of biological membranes, a number of studies challenged this doctrine as they found biological membranes to have extremely low gas-permeability values. These observations led to the identification of several membrane-embedded “gas” channels, which facilitate the transport of biological active gases, such as carbon dioxide, nitric oxide, and ammonia. However, some of these findings are in contrast to the well-established solubility–diffusion model (also known as the Meyer–Overton rule), which predicts membrane permeabilities from the molecule's oil–water partition coefficient. Herein, we discuss recently reported violations of the Meyer–Overton rule for small molecules, including carboxylic acids and gases, and show that Meyer and Overton continue to rule. PMID:19514034

Hydraulic tests in highly permeable aquifers

NASA Astrophysics Data System (ADS)

Butler, James J.; Zhan, Xiaoyong

2004-12-01

A semianalytical solution is presented for a mathematical model describing the flow of groundwater in response to a slug or pumping test in a highly permeable, confined aquifer. This solution, which is appropriate for wells of any degree of penetration and incorporates inertial mechanisms at both the test and observation wells, can be used to gain new insights into hydraulic tests in highly permeable settings. The oscillatory character of slug- and pumping-induced responses will vary considerably across a site, even in an essentially homogeneous formation, when wells of different radii, depths, and screen lengths are used. Thus variations in the oscillatory character of responses do not necessarily indicate variations in hydraulic conductivity (K). Existing models for slug tests in partially penetrating wells in high-K aquifers neglect the storage properties of the media. That assumption, however, appears reasonable for a wide range of common conditions. Unlike in less permeable formations, drawdown at an observation well in a high-K aquifer will be affected by head losses in the pumping well. Those losses, which affect the form of the pumping-induced oscillations, can be difficult to characterize. Thus analyses of observation-well drawdown should utilize data from the period after the oscillations have dissipated whenever possible. Although inertial mechanisms can have a large impact on early-time drawdown, that impact decreases rapidly with duration of pumping and distance to the observation well. Conventional methods that do not consider inertial mechanisms should therefore be viable options for the analysis of drawdown data at moderate to large times.

Hydraulic tests in highly permeable aquifers

USGS Publications Warehouse

Butler, James J.; Zhan, Xiaoyong

2004-01-01

A semianalytical solution is presented for a mathematical model describing the flow of groundwater in response to a slug or pumping test in a highly permeable, confined aquifer. This solution, which is appropriate for wells of any degree of penetration and incorporates inertial mechanisms at both the test and observation wells, can be used to gain new insights into hydraulic tests in highly permeable settings. The oscillatory character of slug‐ and pumping‐induced responses will vary considerably across a site, even in an essentially homogeneous formation, when wells of different radii, depths, and screen lengths are used. Thus variations in the oscillatory character of responses do not necessarily indicate variations in hydraulic conductivity (K). Existing models for slug tests in partially penetrating wells in high‐K aquifers neglect the storage properties of the media. That assumption, however, appears reasonable for a wide range of common conditions. Unlike in less permeable formations, drawdown at an observation well in a high‐K aquifer will be affected by head losses in the pumping well. Those losses, which affect the form of the pumping‐induced oscillations, can be difficult to characterize. Thus analyses of observation‐well drawdown should utilize data from the period after the oscillations have dissipated whenever possible. Although inertial mechanisms can have a large impact on early‐time drawdown, that impact decreases rapidly with duration of pumping and distance to the observation well. Conventional methods that do not consider inertial mechanisms should therefore be viable options for the analysis of drawdown data at moderate to large times.

An in vitro methodology for forecasting luminal concentrations and precipitation of highly permeable lipophilic weak bases in the fasted upper small intestine.

PubMed

Psachoulias, Dimitrios; Vertzoni, Maria; Butler, James; Busby, David; Symillides, Moira; Dressman, Jennifer; Reppas, Christos

2012-12-01

To develop an in vitro methodology for prediction of concentrations and potential precipitation of highly permeable, lipophilic weak bases in fasted upper small intestine based on ketoconazole and dipyridamole luminal data. Evaluate usefulness of methodology in predicting luminal precipitation of AZD0865 and SB705498 based on plasma data. A three-compartment in vitro setup was used. Depending on the dosage form administered in in vivo studies, a solution or a suspension was placed in the gastric compartment. A medium simulating the luminal environment (FaSSIF-V2plus) was initially placed in the duodenal compartment. Concentrated FaSSIF-V2plus was placed in the reservoir compartment. In vitro ketoconazole and dipyridamole concentrations and precipitated fractions adequately reflected luminal data. Unlike luminal precipitates, in vitro ketoconazole precipitates were crystalline. In vitro AZD0865 data confirmed previously published human pharmacokinetic data suggesting that absorption rates are not affected by luminal precipitation. In vitro SB705498 data predicted that significant luminal precipitation occurs after a 100 mg or 400 mg but not after a 10 mg dose, consistent with human pharmacokinetic data. An in vitro methodology for predicting concentrations and potential precipitation in fasted upper small intestine, after administration of highly permeable, lipophilic weak bases in fasted upper small intestine was developed and evaluated for its predictability in regard to luminal precipitation.

Estimation of three-phase relative permeability by simulating fluid dynamics directly on rock-microstructure images

NASA Astrophysics Data System (ADS)

Jiang, F.; Tsuji, T.

2017-01-01

Given the world's growing demand for energy, a combination of geological CO2 sequestration and enhanced oil recovery (EOR) technologies is currently regarded as a promising solution, as it would provide a means of reducing carbon emissions into the atmosphere while also leading to the economic benefit of simultaneously recovering oil. The optimization of injection strategies to maximize CO2 storage and increase the oil recovery factors requires complicated pore-scale flow information within a reservoir system consisting of coexisting oil, water, and CO2 phases. In this study, an immiscible three-phase lattice-Boltzmann (LB) model was developed to investigate the complicated flow state with interaction between water, oil, and CO2 systems in porous media. The two main mechanisms of oil remobilization, namely, double-drainage and film flow, can be captured by our model. The estimation of three-phase relative permeability is proposed using the digital rock physics (DRP) simulations. The results indicate that the relative permeability of CO2 as calculated using our steady state method is not sensitive to the initial oil fraction if the oil distribution is originally uniform. Baker's (1988) empirical model was tested and found to be able to provide a good prediction of the three-phase relative permeability data. Our numerical method provides a new tool for accurately predicting three-phase relative permeability data directly based on micro-CT rock images.

Artificial Neural Networks applied to estimate permeability, porosity and intrinsic attenuation using seismic attributes and well-log data

NASA Astrophysics Data System (ADS)

Iturrarán-Viveros, Ursula; Parra, Jorge O.

2014-08-01

Permeability and porosity are two fundamental reservoir properties which relate to the amount of fluid contained in a reservoir and its ability to flow. The intrinsic attenuation is another important parameter since it is related to porosity, permeability, oil and gas saturation and these parameters significantly affect the seismic signature of a reservoir. We apply Artificial Neural Network (ANN) models to predict permeability (k) and porosity (ϕ) for a carbonate aquifer in southeastern Florida and to predict intrinsic attenuation (1/Q) for a sand-shale oil reservoir in northeast Texas. In this study, the Gamma test (a revolutionary estimator of the noise in a data set) has been used as a mathematically non-parametric nonlinear smooth modeling tool to choose the best input combination of seismic attributes to estimate k and ϕ, and the best combination of well-logs to estimate 1/Q. This saves time during the construction and training of ANN models and also sets a lower bound for the mean squared error to prevent over-training. The Neural Network method successfully delineates a highly permeable zone that corresponds to a high water production in the aquifer. The Gamma test found nonlinear relations that were not visible to linear regression allowing us to generalize the ANN estimations of k, ϕ and 1/Q for their respective sets of patterns that were not used during the learning phase.

Molecular determinants of blood-brain barrier permeation.

PubMed

Geldenhuys, Werner J; Mohammad, Afroz S; Adkins, Chris E; Lockman, Paul R

2015-01-01

The blood-brain barrier (BBB) is a microvascular unit which selectively regulates the permeability of drugs to the brain. With the rise in CNS drug targets and diseases, there is a need to be able to accurately predict a priori which compounds in a company database should be pursued for favorable properties. In this review, we will explore the different computational tools available today, as well as underpin these to the experimental methods used to determine BBB permeability. These include in vitro models and the in vivo models that yield the dataset we use to generate predictive models. Understanding of how these models were experimentally derived determines our accurate and predicted use for determining a balance between activity and BBB distribution.

Molecular determinants of blood–brain barrier permeation

PubMed Central

Geldenhuys, Werner J; Mohammad, Afroz S; Adkins, Chris E; Lockman, Paul R

2015-01-01

The blood–brain barrier (BBB) is a microvascular unit which selectively regulates the permeability of drugs to the brain. With the rise in CNS drug targets and diseases, there is a need to be able to accurately predict a priori which compounds in a company database should be pursued for favorable properties. In this review, we will explore the different computational tools available today, as well as underpin these to the experimental methods used to determine BBB permeability. These include in vitro models and the in vivo models that yield the dataset we use to generate predictive models. Understanding of how these models were experimentally derived determines our accurate and predicted use for determining a balance between activity and BBB distribution. PMID:26305616

Determination of hydrogen permeability in commercial and modified superalloys

NASA Technical Reports Server (NTRS)

Bhattacharyya, S.; Peterman, W.

1983-01-01

The results of hydrogen permeability measurements on several iron- and cobalt-base alloys as well as on two long-ranged ordered alloys over the range of 705 to 870 C (1300 to 1600 F) are summarized. The test alloys included wrought alloys N-155, IN 800, A-286, 19-9DL, and 19-9DL modifications with aluminum, niobium, and misch metal. In addition, XF-818, CRM-6D, SA-F11, and HS-31 were evaluated. Two wrought long-range ordered alloys, Ni3Al and (Fe,Ni)3(V,Al) were also evaluated. All tests were conducted at 20.7 MPa pressure in either pure and/or 1% CO2-doped H2 for test periods as long as 133 h. Detailed analyses were conducted to determine the relative permeability rankings of these alloys and the effect of doping, exit surface oxidation, specimen design variations, and test duration on permeability coefficient, and permeation activation energies were determined. The two long-range ordered alloys had the lowest permeability coefficients in pure H2 when compared with the eight commercial alloys and their modifications. With CO2 doping, significant decrease in permeability was observed in commercial alloys--no doped tests were conducted with the long-range ordered alloys.

Paradise Lost: Uncertainties in melting and melt extraction processes beneath oceanic spreading ridges

NASA Astrophysics Data System (ADS)

Kelemen, P. B.

2014-12-01

In many ways, decompression melting and focused melt transport beneath oceanic spreading ridges is the best understood igneous process on Earth. However, there are remaining - increasing - uncertainties in interpreting residual mantle peridotites. Indicators of degree of melting in residual peridotite are questionable. Yb concentration and spinel Cr# are affected by (a) small scale variations in reactive melt transport, (b) variable extents of melt extraction, and (c) "impregnation", i.e. partial crystallization of cooling melt in pore space. Roughly 75% of abyssal peridotites have undergone major element refertilization. Many may have undergone several melting events. The following three statements are inconsistent: (1) Peridotite melt productivity beyond cpx exhaustion is > 0.1%/GPa. (2) Crustal thickness is independent of spreading rate at rates > 2 cm/yr full rate (excluding ultra-slow spreading ridges). (3) Thermal models predict, and observations confirm, thick thermal boundary layers beneath slow spreading ridges. If (a) melt productivity is << 0.1%/GPa beyond cpx-out, and (b) cpx-out occurs > 15 km below the seafloor beneath most ridges, then the independence of crustal thickness with spreading rate can be understood. Most sampled peridotites from ridges melted beyond cpx-out. Cpx in these rocks formed via impregnation and/or exsolution during cooling. Most peridotites beneath ridges may undergo cpx exhaustion during decompression melting. This would entail an upward modification of potential temperature estimates. Alternatively, perhaps oceanic crustal thickness does vary with spreading rate but this is masked by complicated tectonics and serpentinization at slow-spreading ridges. Dissolution channels (dunites) are predicted to coalesce downstream, but numerical models of these have not shown why > 95% of oceanic crust forms in a zone < 5 km wide. There may be permeability barriers guiding deeper melt toward the ridge, but field studies have not identified them. Permeable "shear bands" may guide melt to the ridge, but their nature in open systems at natural grain size and strain rates is uncertain. 2D and 3D focused solid upwelling due to melt buoyancy deep in the melting region, where pyroxenes are abundant and permeability is low, may warrant renewed attention.

Fracture sealing caused by mineral precipitation: The role of aperture and mineral heterogeneity on precipitation-induced permeability loss

NASA Astrophysics Data System (ADS)

Jones, T.; Detwiler, R. L.

2017-12-01

Fractures act as dominant pathways for fluid flow in low-permeability rocks. However, in many subsurface environments, fluid rock reactions can lead to mineral precipitation, which alters fracture surface geometry and reduces fracture permeability. In natural fractures, surface mineralogy and roughness are often heterogeneous, leading to variations in both velocity and reactive surface area. The combined effects of surface roughness and mineral heterogeneity can lead to large disparities in local precipitation rates that are difficult to predict due to the strong coupling between dissolved mineral transport and reactions at the fracture surface. Recent experimental observations suggest that mineral precipitation in a heterogeneous fracture may promote preferential flow and focus large dissolved ion concentrations into regions with limited reactive surface area. Here, we build on these observations using reactive transport simulations. Reactive transport is simulated with a quasi-steady-state 2D model that uses a depth-averaged mass-transfer relationship to describe dissolved mineral transport across the fracture aperture and local precipitation reactions. Mineral precipitation-induced changes to fracture surface geometry are accounted for using two different approaches: (1) by only allowing reactive minerals to grow vertically, and (2) by allowing three-dimensional mineral growth at reaction sites. Preliminary results from simulations using (1) suggest that precipitation-induced aperture reduction focuses flow into thin flow paths. This flow focusing causes a reduction in the fracture-scale precipitation rate, and precipitation ceases when the reaction zone extends the entire length of the fracture. This approach reproduces experimental observations at early time reasonably well, but as precipitation proceeds, reaction sites can grow laterally along the fracture surfaces, which is not predicted by (1). To account for three-dimensional mineral growth (2), we have incorporated a level-set-method based approach for tracking the mineral interfaces in three dimensions. This provides a mechanistic approach for simulating the dynamics of the formation, and eventual closing, of preferential flow paths by precipitation-induced aperture alteration, that do not occur using (1).

Temporally dynamic habitat suitability predicts genetic relatedness among caribou.

PubMed

Yannic, Glenn; Pellissier, Loïc; Le Corre, Maël; Dussault, Christian; Bernatchez, Louis; Côté, Steeve D

2014-10-07

Landscape heterogeneity plays a central role in shaping ecological and evolutionary processes. While species utilization of the landscape is usually viewed as constant within a year, the spatial distribution of individuals is likely to vary in time in relation to particular seasonal needs. Understanding temporal variation in landscape use and genetic connectivity has direct conservation implications. Here, we modelled the daily use of the landscape by caribou in Quebec and Labrador, Canada and tested its ability to explain the genetic relatedness among individuals. We assessed habitat selection using locations of collared individuals in migratory herds and static occurrences from sedentary groups. Connectivity models based on habitat use outperformed a baseline isolation-by-distance model in explaining genetic relatedness, suggesting that variations in landscape features such as snow, vegetation productivity and land use modulate connectivity among populations. Connectivity surfaces derived from habitat use were the best predictors of genetic relatedness. The relationship between connectivity surface and genetic relatedness varied in time and peaked during the rutting period. Landscape permeability in the period of mate searching is especially important to allow gene flow among populations. Our study highlights the importance of considering temporal variations in habitat selection for optimizing connectivity across heterogeneous landscape and counter habitat fragmentation. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Permeability of canine vocal fold lamina propria.

PubMed

Meyer, Jacob P; Kvit, Anton A; Devine, Erin E; Jiang, Jack

2015-04-01

Determine the permeability of excised canine vocal fold lamina propria. Basic science. Vocal folds were excised from canine larynges and mounted within a device to measure the flow of 0.9% saline through the tissue over time. The resultant fluid volume displaced over time was then used in a variation of Darcy's law to calculate the permeability of the tissue. Permeability was found through each anatomical plane of the vocal fold, with five samples per plane. Permeability was also found for lamina propria stretched to 10%, 20%, and 30% of its initial length to determine the effects of tensile strain on permeability, with five samples per level of strain. Permeability was found to be 1.40 × 10(-13) m(3) s/kg through the sagittal plane, 1.00 × 10(-13) m(3) s/kg through the coronal plane, and 4.02 × 10(-13) m(3) s/kg through the axial plane. It was significantly greater through the axial plane than both the sagittal (P = .025) and coronal (P = .009) planes. Permeability under strain through the sagittal plane was found to be 1.94 × 10(-13) m(3) s/kg under 10% strain, 3.35 × 10(-13) m(3) s/kg under 20% strain, and 4.80 × 10(-13) m(3) s/kg under 30% strain. The permeability significantly increased after 20% strain (P < .05). Permeability in canine vocal fold lamina propria was found to be increased along the anterior-posterior axis, following the length of the vocal folds. This may influence fluid distribution within the lamina propria during and after vibration. Similarly, permeability increased after 20% strain was imposed on the lamina propria, and may influence vocal fold dynamics during certain phonation tasks. NA Laryngoscope, 125:941-945, 2015. © 2014 The American Laryngological, Rhinological and Otological Society, Inc.

Permeability of membranes to amino acids and modified amino acids: mechanisms involved in translocation

NASA Technical Reports Server (NTRS)

Chakrabarti, A. C.; Deamer, D. W. (Principal Investigator); Miller, S. L. (Principal Investigator)

1994-01-01

The amino acid permeability of membranes is of interest because they are one of the key solutes involved in cell function. Membrane permeability coefficients (P) for amino acid classes, including neutral, polar, hydrophobic, and charged species, have been measured and compared using a variety of techniques. Decreasing lipid chain length increased permeability slightly (5-fold), while variations in pH had only minor effects on the permeability coefficients of the amino acids tested in liposomes. Increasing the membrane surface charge increased the permeability of amino acids of the opposite charge, while increasing the cholesterol content decreased membrane permeability. The permeability coefficients for most amino acids tested were surprisingly similar to those previously measured for monovalent cations such as sodium and potassium (approximately 10(-12)-10(-13) cm s-1). This observation suggests that the permeation rates for the neutral, polar and charged amino acids are controlled by bilayer fluctuations and transient defects, rather than partition coefficients and Born energy barriers. Hydrophobic amino acids were 10(2) more permeable than the hydrophilic forms, reflecting their increased partition coefficient values. External pH had dramatic effects on the permeation rates for the modified amino acid lysine methyl ester in response to transmembrane pH gradients. It was established that lysine methyl ester and other modified short peptides permeate rapidly (P = 10(-2) cm s-1) as neutral (deprotonated) molecules. It was also shown that charge distributions dramatically alter permeation rates for modified di-peptides. These results may relate to the movement of peptides through membranes during protein translocation and to the origin of cellular membrane transport on the early Earth.

Thermodynamic Modeling of Gas Transport in Glassy Polymeric Membranes.

PubMed

Minelli, Matteo; Sarti, Giulio Cesare

2017-08-19

Solubility and permeability of gases in glassy polymers have been considered with the aim of illustrating the applicability of thermodynamically-based models for their description and prediction. The solubility isotherms are described by using the nonequilibrium lattice fluid (NELF) (model, already known to be appropriate for nonequilibrium glassy polymers, while the permeability isotherms are described through a general transport model in which diffusivity is the product of a purely kinetic factor, the mobility coefficient, and a thermodynamic factor. The latter is calculated from the NELF model and mobility is considered concentration-dependent through an exponential relationship containing two parameters only. The models are tested explicitly considering solubility and permeability data of various penetrants in three glassy polymers, PSf, PPh and 6FDA-6FpDA, selected as the reference for different behaviors. It is shown that the models are able to calculate the different behaviors observed, and in particular the permeability dependence on upstream pressure, both when it is decreasing as well as when it is increasing, with no need to invoke the onset of additional plasticization phenomena. The correlations found between polymer and penetrant properties with the two parameters of the mobility coefficient also lead to the predictive ability of the transport model.

Thermodynamic Modeling of Gas Transport in Glassy Polymeric Membranes

PubMed Central

Minelli, Matteo; Sarti, Giulio Cesare

2017-01-01

Solubility and permeability of gases in glassy polymers have been considered with the aim of illustrating the applicability of thermodynamically-based models for their description and prediction. The solubility isotherms are described by using the nonequilibrium lattice fluid (NELF) (model, already known to be appropriate for nonequilibrium glassy polymers, while the permeability isotherms are described through a general transport model in which diffusivity is the product of a purely kinetic factor, the mobility coefficient, and a thermodynamic factor. The latter is calculated from the NELF model and mobility is considered concentration-dependent through an exponential relationship containing two parameters only. The models are tested explicitly considering solubility and permeability data of various penetrants in three glassy polymers, PSf, PPh and 6FDA-6FpDA, selected as the reference for different behaviors. It is shown that the models are able to calculate the different behaviors observed, and in particular the permeability dependence on upstream pressure, both when it is decreasing as well as when it is increasing, with no need to invoke the onset of additional plasticization phenomena. The correlations found between polymer and penetrant properties with the two parameters of the mobility coefficient also lead to the predictive ability of the transport model. PMID:28825619

Poromechanical response of naturally fractured sorbing media

NASA Astrophysics Data System (ADS)

Kumar, Hemant

The injection of CO2 in coal seams has been utilized for enhanced gas recovery and potential CO2 sequestration in unmineable coal seams. It is advantageous because as it enhances the production and significant volumes of CO2 may be stored simultaneously. The key issues for enhanced gas recovery and geologic sequestration of CO2 include (1) Injectivity prediction: The chemical and physical processes initiated by the injection of CO2 in the coal seam leads to permeability/porosity changes (2) Up scaling: Development of full scale coupled reservoir model which may predict the enhanced production, associated permeability changes and quantity of sequestered CO2. (3) Reservoir Stimulation: The coalbeds are often fractured and proppants are placed into the fractures to prevent the permeability reduction but the permeability evolution in such cases is poorly understood. These issues are largely governed by dynamic coupling of adsorption, fluid exchange, transport, water content, stress regime, fracture geometry and physiomechanical changes in coals which are triggered by CO 2 injection. The understanding of complex interactions in coal has been investigated through laboratory experiments and full reservoir scale models are developed to answer key issues. (Abstract shortened by ProQuest.).

Implementation of Biofilm Permeability Models for Mineral Reactions in Saturated Porous Media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freedman, Vicky L.; Saripalli, Kanaka P.; Bacon, Diana H.

2005-02-22

An approach based on continuous biofilm models is proposed for modeling permeability changes due to mineral precipitation and dissolution in saturated porous media. In contrast to the biofilm approach, implementation of the film depositional models within a reactive transport code requires a time-dependent calculation of the mineral films in the pore space. Two different methods for this calculation are investigated. The first method assumes a direct relationship between changes in mineral radii (i.e., surface area) and changes in the pore space. In the second method, an effective change in pore radii is calculated based on the relationship between permeability andmore » grain size. Porous media permeability is determined by coupling the film permeability models (Mualem and Childs and Collis-George) to a volumetric model that incorporates both mineral density and reactive surface area. Results from single mineral dissolution and single mineral precipitation simulations provide reasonable estimates of permeability, though they under predict the magnitude of permeability changes relative to the Kozeny and Carmen model. However, a comparison of experimental and simulated data show that the Mualem film model is the only one that can replicate the oscillations in permeability that occur as a result of simultaneous dissolution and precipitation reactions occurring within the porous media.« less

Estimation of the REV Size and Equivalent Permeability Coefficient of Fractured Rock Masses with an Emphasis on Comparing the Radial and Unidirectional Flow Configurations

NASA Astrophysics Data System (ADS)

Wang, Zhechao; Li, Wei; Bi, Liping; Qiao, Liping; Liu, Richeng; Liu, Jie

2018-05-01

A method to estimate the representative elementary volume (REV) size for the permeability and equivalent permeability coefficient of rock mass with a radial flow configuration was developed. The estimations of the REV size and equivalent permeability for the rock mass around an underground oil storage facility using a radial flow configuration were compared with those using a unidirectional flow configuration. The REV sizes estimated using the unidirectional flow configuration are much higher than those estimated using the radial flow configuration. The equivalent permeability coefficient estimated using the radial flow configuration is unique, while those estimated using the unidirectional flow configuration depend on the boundary conditions and flow directions. The influences of the fracture trace length, spacing and gap on the REV size and equivalent permeability coefficient were investigated. The REV size for the permeability of fractured rock mass increases with increasing the mean trace length and fracture spacing. The influence of the fracture gap length on the REV size is insignificant. The equivalent permeability coefficient decreases with the fracture spacing, while the influences of the fracture trace length and gap length are not determinate. The applicability of the proposed method to the prediction of groundwater inflow into rock caverns was verified using the measured groundwater inflow into the facility. The permeability coefficient estimated using the radial flow configuration is more similar to the representative equivalent permeability coefficient than those estimated with different boundary conditions using the unidirectional flow configuration.

Effect of membranes on oxygen transfer rate and consumption within a newly developed three-compartment bioartificial liver device: Advanced experimental and theoretical studies.

PubMed

Hilal-Alnaqbi, Ali; Mourad, Abdel-Hamid I; Yousef, Basem F

2014-01-01

A mathematical model is developed to predict oxygen transfer in the fiber-in-fiber (FIF) bioartificial liver device. The model parameters are taken from the constructed and tested FIF modules. We extended the Krogh cylinder model by including one more zone for oxygen transfer. Cellular oxygen uptake was based on Michaelis-Menten kinetics. The effect of varying a number of important model parameters is investigated, including (1) oxygen partial pressure at the inlet, (2) the hydraulic permeability of compartment B (cell region), (3) the hydraulic permeability of the inner membrane, and (4) the oxygen diffusivity of the outer membrane. The mathematical model is validated by comparing its output against the experimentally acquired values of an oxygen transfer rate and the hydrostatic pressure drop. Three governing simultaneous linear differential equations are derived to predict and validate the experimental measurements, e.g., the flow rate and the hydrostatic pressure drop. The model output simulated the experimental measurements to a high degree of accuracy. The model predictions show that the cells in the annulus can be oxygenated well even at high cell density or at a low level of gas phase PG if the value of the oxygen diffusion coefficient Dm is 16 × 10(-5) . The mathematical model also shows that the performance of the FIF improves by increasing the permeability of polypropylene membrane (inner fiber). Moreover, the model predicted that 60% of plasma has access to the cells in the annulus within the first 10% of the FIF bioreactor axial length for a specific polypropylene membrane permeability and can reach 95% within the first 30% of its axial length. © 2013 International Union of Biochemistry and Molecular Biology, Inc.

Verification of a two-dimensional infiltration model for the resin transfer molding process

NASA Technical Reports Server (NTRS)

Hammond, Vincent H.; Loos, Alfred C.; Dexter, H. Benson; Hasko, Gregory H.

1993-01-01

A two-dimensional finite element model for the infiltration of a dry textile preform by an injected resin was verified. The model, which is based on the finite element/control volume technique, determines the total infiltration time and the pressure increase at the mold inlet associated with the RTM process. Important input data for the model are the compaction and permeability behavior of the preform along with the kinetic and rheological behavior of the resin. The compaction behavior for several textile preforms was determined by experimental methods. A power law regression model was used to relate fiber volume fraction to the applied compaction pressure. Results showed a large increase in fiber volume fraction with the initial application of pressure. However, as the maximum fiber volume fraction was approached, the amount of compaction pressure required to decrease the porosity of the preform rapidly increased. Similarly, a power law regression model was used to relate permeability to the fiber volume fraction of the preform. Two methods were used to measure the permeability of the textile preform. The first, known as the steady state method, measures the permeability of a saturated preform under constant flow rate conditions. The second, denoted the advancing front method, determines the permeability of a dry preform to an infiltrating fluid. Water, corn oil, and an epoxy resin, Epon 815, were used to determine the effect of fluid type and viscosity on the steady state permeability behavior of the preform. Permeability values measured with the different fluids showed that fluid viscosity had no influence on the permeability behavior of 162 E-glass and TTI IM7/8HS preforms. Permeabilities measured from steady state and advancing front experiments for the warp direction of 162 E-glass fabric were similar. This behavior was noticed for tests conducted with corn oil and Epon 815. Comparable behavior was observed for the warp direction of the TTI IM7/8HS preform and corn oil. Mold filling and flow visualization experiments were performed to verify the analytical computer model. Frequency dependent electromagnetic sensors were used to monitor the resin flow front as a function of time. For the flow visualization tests, a video camera and high resolution tape recorder were used to record the experimental flow fronts. Comparisons between experimental and model predicted flow fronts agreed well for all tests. For the mold filling tests conducted at constant flow rate injection, the model was able to accurately predict the pressure increase at the mold inlet during the infiltration process. A kinetics model developed to predict the degree of cure as a function of time for the injected resin accurately calculated the increase in the degree of cure during the subsequent cure cycle.

Evaluation of methods for measuring relative permeability of anhydride from the Salado Formation: Sensitivity analysis and data reduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christiansen, R.L.; Kalbus, J.S.; Howarth, S.M.

This report documents, demonstrates, evaluates, and provides theoretical justification for methods used to convert experimental data into relative permeability relationships. The report facilities accurate determination of relative permeabilities of anhydride rock samples from the Salado Formation at the Waste Isolation Pilot Plant (WIPP). Relative permeability characteristic curves are necessary for WIPP Performance Assessment (PA) predictions of the potential for flow of waste-generated gas from the repository and brine flow into repository. This report follows Christiansen and Howarth (1995), a comprehensive literature review of methods for measuring relative permeability. It focuses on unsteady-state experiments and describes five methods for obtaining relativemore » permeability relationships from unsteady-state experiments. Unsteady-state experimental methods were recommended for relative permeability measurements of low-permeability anhydrite rock samples form the Salado Formation because these tests produce accurate relative permeability information and take significantly less time to complete than steady-state tests. Five methods for obtaining relative permeability relationships from unsteady-state experiments are described: the Welge method, the Johnson-Bossler-Naumann method, the Jones-Roszelle method, the Ramakrishnan-Cappiello method, and the Hagoort method. A summary, an example of the calculations, and a theoretical justification are provided for each of the five methods. Displacements in porous media are numerically simulated for the calculation examples. The simulated product data were processed using the methods, and the relative permeabilities obtained were compared with those input to the numerical model. A variety of operating conditions were simulated to show sensitivity of production behavior to rock-fluid properties.« less

Sensitivity of predicted scaling and permeability in Enhanced Geothermal Systems to Thermodynamic Data and Activity Models

NASA Astrophysics Data System (ADS)

Hingerl, Ferdinand F.; Wagner, Thomas; Kulik, Dmitrii A.; Kosakowski, Georg; Driesner, Thomas; Thomsen, Kaj

2010-05-01

A consortium of research groups from ETH Zurich, EPF Lausanne, the Paul Scherrer Institut and the University of Bonn collaborates in a comprehensive program of basic research on key aspects of the Enhanced Geothermal Systems (EGSs). As part of this GEOTHERM project (www.geotherm.ethz.ch), we concentrate on the fundamental investigation of thermodynamic models suitable for describing fluid-rock interactions at geothermal conditions. Predictions of the fluid-rock interaction in EGS still face several major challenges. Slight variations in the input thermodynamic and kinetic parameters may result in significant differences in the predicted mineral solubilities and stable assemblage. Realistic modeling of mineral precipitation in turn has implications onto our understanding of the permeability evolution of the geothermal reservoir, as well as the scaling in technical installations. In order to reasonably model an EGS, thermodynamic databases and activity models must be tailored to geothermal conditions. We therefore implemented in GEMS code the Pitzer formalism, which is the standard model used for computing thermodynamic excess properties of brines at elevated temperatures and pressures. This model, however, depends on a vast amount of interaction parameters, which are to a substantial extend unknown. Furthermore, a high order polynomial temperature interpolation makes extrapolation unreliable if not impossible. As an alternative we additionally implemented the EUNIQUAC activity model. EUNIQUAC requires fewer empirical fit parameters (only binary interaction parameters needed) and uses simpler and more stable temperature and pressure extrapolations. This results in an increase in computation speed, which is of crucial importance when performing coupled long term simulations of geothermal reservoirs. To achieve better performance under geothermal conditions, we are currently partly reformulating EUNIQUAC and refitting the existing parameter set. First results of the Pitzer-EUNIQUAC benchmark applied to relevant aqueous solutions at elevated temperature, pressure and ionic strength will be presented.

A model for hydrostatic consolidation of Pierre shale

USGS Publications Warehouse

Savage, W.Z.; Braddock, W.A.

1991-01-01

This paper presents closed-form solutions for consolidation of transversely isotropic porous media under hydrostatic stress. The solutions are applied to model the time variation of pore pressure, volume strain and strains parallel and normal to bedding, and to obtain coefficients of consolidation and permeability, as well as other properties, and the bulk modulus resulting from hydrostatic consolidation of Pierre shale. It is found that the coefficients consolidation and permeability decrease and the bulk moduli increase with increasing confining pressure, reflecting the closure of voids in the rock. ?? 1991.

Refinement of the magnetic composite model of type 304 stainless steel by considering misoriented ferromagnetic martensite particles

NASA Astrophysics Data System (ADS)

Kinoshita, Katsuyuki

2017-05-01

We improved a magnetic composite model that combines the Jiles-Atherton model and Eshelby's equivalent inclusion method to consider misoriented martensite particles. The magnetic permeability of type 304 stainless steel were analyzed by using both experimental data on the orientation distribution of type 304 stainless steel specimens and the improved model. We found that the model is able to qualitatively explain the variation of permeability with the orientation angle and orientation distribution, an effect that depends on the direction of the excitation magnetic field.

Assessment of Passive Intestinal Permeability Using an Artificial Membrane Insert System.

PubMed

Berben, Philippe; Brouwers, Joachim; Augustijns, Patrick

2018-01-01

Despite reasonable predictive power of current cell-based and cell-free absorption models for the assessment of intestinal drug permeability, high costs and lengthy preparation steps hamper their use. The use of a simple artificial membrane (without any lipids present) as intestinal barrier substitute would overcome these hurdles. In the present study, a set of 14 poorly water-soluble drugs, dissolved in 2 different media (fasted state simulated/human intestinal fluids [FaSSIF/FaHIF]), were applied to the donor compartment of an artificial membrane insert system (AMI-system) containing a regenerated cellulose membrane. Furthermore, to investigate the predictive capacity of the AMI-system as substitute for the well-established Caco-2 system to assess intestinal permeability, the same set of 14 drugs dissolved in FaHIF were applied to the donor compartment of a Caco-2 system. For 14 drugs, covering a broad range of physicochemical parameters, a reasonable correlation between both absorption systems was observed, characterized by a Pearson correlation coefficient r of 0.95 (FaHIF). Using the AMI-system, an excellent predictive capacity of FaSSIF as surrogate medium for FaHIF was demonstrated (r = 0.96). Based on the acquired data, the AMI-system appears to be a time- and cost-effective tool for the early-stage estimation of passive intestinal permeability for poorly water-soluble drugs. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

There and back again: The life and death of magma permeability in volcanic conduits

NASA Astrophysics Data System (ADS)

Wadsworth, F. B.; Vasseur, J.; Llewellin, E. W.; Lavallée, Y.; Kendrick, J. E.; Dobson, K. J.; Heap, M. J.; Kushnir, A. R.; Dingwell, D. B.

2017-12-01

Permeability of magma to gas is one of the key controls on the propoensity for explosive volcanism on the terrestrial planets. The magma filling upper-crustal volcanic conduits must become permeable in order for gas overpressure in pore spaces to dissipate. Once permeable, magma may densify and the pore network may re-seal itself. Permeability may be developed in one or more of 3 end-member pore-space geometries: (1) bubble-dominated, (2) crack-dominated, or (3) particle dominated. We take each geometry in turn and explore how we can scale the evolution of permeability with porosity. To do this we use 3 different data types. First, we compile the large body of published measurements of natural, synthetic and analogue volcanic rocks covering a range of pore space complexity. Second, we compile and conduct in situ measurements of permeability evolution for densifying granular systems or crack-formation in deforming magmas. Third, we conduct stochastic simulations in which we systematically build random heterogeneous porous media from overlapping spheres and use lattice-Boltzmann simulations of fluid flow to find the permeability. These data permit us to isolate individual controls on the permeability in each geometry in turn. Permeability can be readily formed by bubble coalescence, fracturing or fragmentation, and by forced gas percolation. Similarly, permeability can be reduced by bubble shrinking and pinch off, fracture healing, and volcanic welding. We broadly consider the kinetics of these processes and provide useful tools for predicting the longevity of different permeable network types. We summarize these findings by considering the potential of silicic volcanoes to outgas prior to significant overpressure buildup, possibly controlling the liklihood of large explosive behaviour.

Can We Estimate Injected Carbon Dioxide Prior to the Repeat Survey in 4D Seismic Monitoring Scheme?

NASA Astrophysics Data System (ADS)

Sakai, A.

2005-12-01

To mitigate global climate change, the geologic sequestration by injecting carbon dioxide in the aquifer and others is one of the most promising scenarios. Monitoring is required to verify the long-term safe storage of carbon dioxide in the subsurface. As evidenced in the oil industry, monitoring by time-lapse 3D seismic survey is the most effective to spatially detect fluid movements and change of pore pressure. We have conducted 3D seismic survey onshore Japan surrounding RITE/METI Iwanohara carbon dioxide injection test site. Target aquifer zone is at 1100m deep in the Pleistocene layer with 60m thick and most permeable zone is approx. 12m thick. Baseline 3D seismic survey was conducted in July-August 2003 and a monitor 3D seismic survey was in July-August 2005 by vibrating source with 10-120Hz sweep frequency band. Prior to the monitor survey, we evaluated seismic data with integrating wireline logging data. As target carbon dioxide injection layer is thin, high-resolution seismic data is required to estimate potential spreading of injected carbon dioxide. To increase seismic resolution, spectrally enhancing method was in use. The procedure is smoothing number of seismic spectral amplitude, computing well log spectrum, and constructing matching filter between seismic and well spectrum. Then it was applied to the whole seismic traces after evaluating test traces. Synthetic seismograms from logging data were computed with extracting optimal wavelets. Fitting between spectrally enhanced seismic traces and synthetic seismograms was excellent even for deviated monitor wells. Acoustic impedance was estimated by inversion of these 3D seismic traces. In analyzing logging data of sonic, density, CMR, and others, the elastic wave velocity was reconstructed by rock physics approach after estimating compositions. Based on models, velocity changes by carbon dioxide injection was evaluated. The correlation of acoustic impedance with porosity and logarithmic permeability was good and relying on this relation and geological constraints with inversion techniques, porosity and permeability was estimated in 3D volume. If the carbon dioxide movement was solely controlled by permeability, estimated permeability volume might predict the time-lapse seismic data prior to a repeat survey. We compare the estimate with the actual 4D changes and discuss related variations.

Permeability, Fracture Clusters, and Stress State:Implications for Mine-based Studies of EcoHydrology

NASA Astrophysics Data System (ADS)

Earnest, E. J.; Boutt, D. F.; Murdoch, L.; Hisz, D. B.; Ebenhack, J.; Kieft, T. L.; Onstott, T. C.; Wang, H. F.

2011-12-01

Mine-based ecohydrology studies provide unique access to deep flow systems at multiple crustal depths. Mass and energy transfer in such deep flow systems is typically dominated by localized flow through discrete features such as fractures and faults, of which only a small percentage contribute to both local and regional flow systems. Predicting which fractures are contributing to flow and transport in these networks has proven extremely difficult. Researchers working at deeper crustal levels (Barton et al., 1995) have successfully predicted fracture network permeability using relationships between fracture aperture (i.e. transmissivity) and in-situ stress. Observations suggest that compared to porous media, fractured rocks have flow systems that operate across large spatial scales and may contain clusters that are hydraulically isolated. . This point is important as these flow systems can house fluids and microbes in isolated clusters and are minimally impacted by the presence of a mine. One example of this is the the former Homestake gold mine in the northern Black Hills, South Dakota, which is being considered as a location for an underground science laboratory. Mine workings cover several km2 in plan and extend to a depth 2.4 km. The area is dominantly Proterozoic metamorphic rocks, forming regional-scale folds with plunge axes oriented ~40o to the SSE. Prior analysis of the hydrogeology of the area indicates that permeability is strongly dependent on effective stress; an increase in permeability with decreasing depth appears to be an important factor controlling the development of a shallow ground water flow systems. In this contribution we examine a set of factors contributing to permeability distribution at the site with a specific focus on: 1) refining permeability-depth models for fractured rock to include the influence of both normal and shear fracture deformation on permeability-depth trends, 2) promote the development and testing of a stress-path fracture permeability hypothesis to examine space-time fracture permeability evolution at various depths, and 3) evaluate factors necessary to create and sustain isolated fracture clusters that could be targets for studies of ecohydrology. Preliminary field work in fractured rocks of Eastern Massachusetts suggest that the stress-path hypothesis, in which fracture permeability undergoes spatial and temporal changes due to erosion and rotatation of the in situ stress field, can be used to explain depth-dependent permeability trends, and is particularly significant for flow systems at depths significant for deep ecohydrology studies.

Design and analysis of gradient index metamaterial-based cloak with wide bandwidth and physically realizable material parameters

NASA Astrophysics Data System (ADS)

Bisht, Mahesh Singh; Rajput, Archana; Srivastava, Kumar Vaibhav

2018-04-01

A cloak based on gradient index metamaterial (GIM) is proposed. Here, the GIM is used, for conversion of propagating waves into surface waves and vice versa, to get the cloaking effect. The cloak is made of metamaterial consisting of four supercells with each supercell possessing the linear spatial variation of permittivity and permeability. The spatial variation of material parameters in supercells allows the conversion of propagating waves into surface waves and vice versa, hence results in reduction of electromagnetic signature of the object. To facilitate the practical implementation of the cloak, continuous spatial variation of permittivity and/or permeability, in each supercell, is discretized into seven segments and it is shown that there is not much deviation in cloaking performance of discretized cloak as compared to its continuous counterpart. The crucial advantage, of the proposed cloaks, is that the material parameters are isotropic and in physically realizable range. Furthermore, the proposed cloaks have been shown to possess bandwidth of the order of 190% which is a significantly improved performance compared to the recently published literature.

A stress sensitivity model for the permeability of porous media based on bi-dispersed fractal theory

NASA Astrophysics Data System (ADS)

Tan, X.-H.; Liu, C.-Y.; Li, X.-P.; Wang, H.-Q.; Deng, H.

A stress sensitivity model for the permeability of porous media based on bidispersed fractal theory is established, considering the change of the flow path, the fractal geometry approach and the mechanics of porous media. It is noted that the two fractal parameters of the porous media construction perform differently when the stress changes. The tortuosity fractal dimension of solid cluster DcTσ become bigger with an increase of stress. However, the pore fractal dimension of solid cluster Dcfσ and capillary bundle Dpfσ remains the same with an increase of stress. The definition of normalized permeability is introduced for the analyzation of the impacts of stress sensitivity on permeability. The normalized permeability is related to solid cluster tortuosity dimension, pore fractal dimension, solid cluster maximum diameter, Young’s modulus and Poisson’s ratio. Every parameter has clear physical meaning without the use of empirical constants. Predictions of permeability of the model is accordant with the obtained experimental data. Thus, the proposed model can precisely depict the flow of fluid in porous media under stress.

A preliminary 1-D model investigation of tidal variations of temperature and chlorinity at the Grotto mound, Endeavour Segment, Juan de Fuca Ridge

NASA Astrophysics Data System (ADS)

Xu, G.; Larson, B. I.; Bemis, K. G.; Lilley, Marvin D.

2017-01-01

Tidal oscillations of venting temperature and chlorinity have been observed in the long-term time series data recorded by the Benthic and Resistivity Sensors (BARS) at the Grotto mound on the Juan de Fuca Ridge. In this study, we use a one-dimensional two-layer poroelastic model to conduct a preliminary investigation of three hypothetical scenarios in which seafloor tidal loading can modulate the venting temperature and chlorinity at Grotto through the mechanisms of subsurface tidal mixing and/or subsurface tidal pumping. For the first scenario, our results demonstrate that it is unlikely for subsurface tidal mixing to cause coupled tidal oscillations in venting temperature and chlorinity of the observed amplitudes. For the second scenario, the model results suggest that it is plausible that the tidal oscillations in venting temperature and chlorinity are decoupled with the former caused by subsurface tidal pumping and the latter caused by subsurface tidal mixing, although the mixing depth is not well constrained. For the third scenario, our results suggest that it is plausible for subsurface tidal pumping to cause coupled tidal oscillations in venting temperature and chlorinity. In this case, the observed tidal phase lag between venting temperature and chlorinity is close to the poroelastic model prediction if brine storage occurs throughout the upflow zone under the premise that layers 2A and 2B have similar crustal permeabilities. However, the predicted phase lag is poorly constrained if brine storage is limited to layer 2B as would be expected when its crustal permeability is much smaller than that of layer 2A.

Grain Size as a Control for Melt Focusing Beneath Mid-Ocean Ridges

NASA Astrophysics Data System (ADS)

Turner, A.; Katz, R. F.; Behn, M. D.

2015-12-01

Grain size is a fundamental control on both the rheology and permeability of the mantle. These properties, in turn, affect the transport of melt beneath mid-ocean ridges. Previous models of grain size beneath ridges have considered only the single-phase problem of dynamic recrystallisation and the resultant pattern of grain-size variation [1,2]. These models have not coupled the spatially variable grain-size field to two-phase (partially molten) mechanics to investigate the implications of spatially variable grain size on melt transport. Here, we present new results from numerical models that investigate the consequences of this coupling. In our two-dimensional, two-phase model the grain-size is coupled to both the permeability and rheology. The rheology is strain-rate and grain-size dependent. For simplicity, however, the grain-size field is not computed dynamically — rather, it is imposed from a single-phase, steady-state model [1] that is based on the "wattmeter" theory [3]. Our calculations predicts that a spatially variable grain size field can promote focusing of melt towards the ridge axis. This focusing is distinct from the commonly discussed, sub-lithospheric decompaction channel [4]. Furthermore, our model predicts that the shape of the partially molten region is sensitive to rheological parameters associated with grain size. The comparison of this shape with observations [5] may help to constrain the rheology of the upper mantle beneath mid-ocean ridges. References: [1] Turner et al., Geochem. Geophys. Geosyst., 16, 925-946, 2015. [2] Behn et al., EPSL, 282, 178-189, 2009. [3] Austin and Evans, Geology, 35:343-346, 2007. [4] Sparks and Parmentier, EPSL, 105, 368-377, 1991. [5] Key et al., Nature, 495, 499-502, 2013.

Hands-on Science: Wildcatters.

ERIC Educational Resources Information Center

Markle, Sandra

1988-01-01

A science unit illustrates the concept of scientific predictions by using how geologists predict where to drill for oil as an example. In a related exercise, everyday items such as bricks, sand, and marbles introduce permeability. Other activities demonstrate how to base predictions on established patterns. A reproducible page is provided. (JL)

Increased pulmonary alveolar-capillary permeability in patients at risk for adult respiratory distress syndrome

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tennenberg, S.D.; Jacobs, M.P.; Solomkin, J.S.

1987-04-01

Two methods for predicting adult respiratory distress syndrome (ARDS) were evaluated prospectively in a group of 81 multitrauma and sepsis patients considered at clinical high risk. A popular ARDS risk-scoring method, employing discriminant analysis equations (weighted risk criteria and oxygenation characteristics), yielded a predictive accuracy of 59% and a false-negative rate of 22%. Pulmonary alveolar-capillary permeability (PACP) was determined with a radioaerosol lung-scan technique in 23 of these 81 patients, representing a statistically similar subgroup. Lung scanning achieved a predictive accuracy of 71% (after excluding patients with unilateral pulmonary contusion) and gave no false-negatives. We propose a combination of clinicalmore » risk identification and functional determination of PACP to assess a patient's risk of developing ARDS.« less

Experimental Measurements of Permeability Evolution along Faults during Progressive Slip

NASA Astrophysics Data System (ADS)

Strutz, M.; Mitchell, T. M.; Renner, J.

2010-12-01

Little is currently known about the dynamic changes in fault-parallel permeability along rough faults during progressive slip. With increasing slip, asperities are worn to produce gouge which can dramatically reduce along fault permeability within the slip zone. However, faults can have a range of roughness which can affect both the porosity and both the amount and distribution of fault wear material produced in the slipping zone during the early stages of fault evolution. In this novel study we investigate experimentally the evolution of permeability along a fault plane in granite sawcut sliding blocks with a variety of intial roughnesses in a triaxial apparatus. Drillholes in the samples allow the permeability to be measured along the fault plane during loading and subsequent fault displacement. Use of the pore pressure oscillation technique (PPO) allows the continuous measurement of permeability without having to stop loading. To achieve a range of intial starting roughnesses, faults sawcut surfaces were prepared using a variety of corundum powders ranging from 10 µm to 220 µm, and for coarser roughness were air-blasted with glass beads up to 800µm in size. Fault roughness has been quantified with a laser profileometer. During sliding, we measure the acoustic emissions in order to detect grain cracking and asperity shearing which may relate to both the mechanical and permeability data. Permeability shows relative reductions of up to over 4 orders of magnitude during stable sliding as asperities are sheared to produce a fine fault gouge. This variation in permeability is greatest for the roughest faults, reducing as fault roughness decreases. The onset of permeability reduction is contemporaneous with a dramatic reduction in the amount of detected acoustic emissions, where a continuous layer of fault gouge has developed. The amount of fault gouge produced is related to the initial roughness, with the rough faults showing larger fault gouge layers at the end of slip. Following large stress drops and stick slip events, permeability can both increase and decrease due to dynamic changes in pore pressure during fast sliding events. We present a summary of preliminary data to date, and discuss some of the problems and unknowns when using the PPO method to measure permeability.

Acoustic Cavitation-Based Monitoring of the Reversibility and Permeability of Ultrasound-Induced Blood-Brain Barrier Opening

PubMed Central

Sun, Tao; Samiotaki, Gesthimani; Wang, Shutao; Acosta, Camilo; Chen, Cherry C.; Konofagou, Elisa E.

2015-01-01

Cavitation events seeded by microbubbles have been previously reported to be associated with MR- or fluorescent-contrast enhancement after focused ultrasound (FUS)-induced blood-brain barrier (BBB) opening. However, it is still unknown whether bubble activity can be correlated with the reversibility (the duration of opening and the likelihood of safe reinstatement) and the permeability of opened BBB, which is critical for the clinical translation of using passive cavitation detection to monitor, predict and control the opening. In this study, the dependence of acoustic cavitation on the BBB opening duration, permeability coefficient and histological damage occurrence were thus investigated. Transcranial pulsed FUS at 1.5 MHz in the presence of systemically circulating microbubbles was applied in the mouse hippocampi (n = 60). The stable and inertial cavitation activities were monitored during sonication. Contrast-enhanced MRI was performed immediately after sonication and every 24 h up to 6 days thereafter, to assess BBB opening, brain tissue permeability and potential edema. Histological evaluations were used to assess the occurrence of neurovascular damages. It was found that stable cavitation was well correlated with: 1) the duration of the BBB opening (r2 = 0.77); 2) the permeability of the opened BBB (r2 = 0.82); 3) the likelihood of safe opening (P < 0.05, safe opening compared to cases of damage; P < 0.0001, no opening compared to safe opening). The inertial cavitation dose was correlated with the resulting BBB permeability (r2 = 0.72). Stable cavitation was found to be more reliable than inertial cavitation at assessing the BBB opening within the pressure range used in this study. This study demonstrates that the stable cavitation response during BBB opening holds promise for predicting and controlling the restoration and pharmacokinetics of FUS-opened BBB. The stable cavitation response therefore showed great promise in predicting the BBB opening duration, enabling thus control of opening according to the drug circulation time. In addition, avoiding adverse effects in the brain and assessing the pharmacokinetics of the compounds delivered can also be achieved by monitoring and controlling the stable cavitation emissions. PMID:26562661

Matrix diffusion coefficients in volcanic rocks at the Nevada test site: influence of matrix porosity, matrix permeability, and fracture coating minerals.

PubMed

Reimus, Paul W; Callahan, Timothy J; Ware, S Doug; Haga, Marc J; Counce, Dale A

2007-08-15

Diffusion cell experiments were conducted to measure nonsorbing solute matrix diffusion coefficients in forty-seven different volcanic rock matrix samples from eight different locations (with multiple depth intervals represented at several locations) at the Nevada Test Site. The solutes used in the experiments included bromide, iodide, pentafluorobenzoate (PFBA), and tritiated water ((3)HHO). The porosity and saturated permeability of most of the diffusion cell samples were measured to evaluate the correlation of these two variables with tracer matrix diffusion coefficients divided by the free-water diffusion coefficient (D(m)/D*). To investigate the influence of fracture coating minerals on matrix diffusion, ten of the diffusion cells represented paired samples from the same depth interval in which one sample contained a fracture surface with mineral coatings and the other sample consisted of only pure matrix. The log of (D(m)/D*) was found to be positively correlated with both the matrix porosity and the log of matrix permeability. A multiple linear regression analysis indicated that both parameters contributed significantly to the regression at the 95% confidence level. However, the log of the matrix diffusion coefficient was more highly-correlated with the log of matrix permeability than with matrix porosity, which suggests that matrix diffusion coefficients, like matrix permeabilities, have a greater dependence on the interconnectedness of matrix porosity than on the matrix porosity itself. The regression equation for the volcanic rocks was found to provide satisfactory predictions of log(D(m)/D*) for other types of rocks with similar ranges of matrix porosity and permeability as the volcanic rocks, but it did a poorer job predicting log(D(m)/D*) for rocks with lower porosities and/or permeabilities. The presence of mineral coatings on fracture walls did not appear to have a significant effect on matrix diffusion in the ten paired diffusion cell experiments.

Inclusion-Based Effective Medium Models for the Permeability of a 3D Fractured Rock Mass

NASA Astrophysics Data System (ADS)

Ebigbo, A.; Lang, P. S.; Paluszny, A.; Zimmerman, R. W.

2015-12-01

Following the work of Saevik et al. (Transp. Porous Media, 2013; Geophys. Prosp., 2014), we investigate the ability of classical inclusion-based effective medium theories to predict the macroscopic permeability of a fractured rock mass. The fractures are assumed to be thin, oblate spheroids, and are treated as porous media in their own right, with permeability kf, and are embedded in a homogeneous matrix having permeability km. At very low fracture densities, the effective permeability is given exactly by a well-known expression that goes back at least as far as Fricke (Phys. Rev., 1924). For non-trivial fracture densities, an effective medium approximation must be employed. We have investigated several such approximations: Maxwell's method, the differential method, and the symmetric and asymmetric versions of the self-consistent approximation. The predictions of the various approximate models are tested against the results of explicit numerical simulations, averaged over numerous statistical realizations for each set of parameters. Each of the various effective medium approximations satisfies the Hashin-Shtrikman (H-S) bounds. Unfortunately, these bounds are much too far apart to provide quantitatively useful estimates of keff. For the case of zero matrix permeability, the well-known approximation of Snow, which is based on network considerations rather than a continuum approach, is shown to essentially coincide with the upper H-S bound, thereby proving that the commonly made assumption that Snow's equation is an "upper bound" is indeed correct. This problem is actually characterized by two small parameters, the aspect ratio of the spheroidal fractures, α, and the permeability ratio, κ = km/kf. Two different regimes can be identified, corresponding to α < κ and κ < α, and expressions for each of the effective medium approximations are developed in both regimes. In both regimes, the symmetric version of the self-consistent approximation is the most accurate.

Matrix diffusion coefficients in volcanic rocks at the Nevada test site: Influence of matrix porosity, matrix permeability, and fracture coating minerals

NASA Astrophysics Data System (ADS)

Reimus, Paul W.; Callahan, Timothy J.; Ware, S. Doug; Haga, Marc J.; Counce, Dale A.

2007-08-01

Diffusion cell experiments were conducted to measure nonsorbing solute matrix diffusion coefficients in forty-seven different volcanic rock matrix samples from eight different locations (with multiple depth intervals represented at several locations) at the Nevada Test Site. The solutes used in the experiments included bromide, iodide, pentafluorobenzoate (PFBA), and tritiated water ( 3HHO). The porosity and saturated permeability of most of the diffusion cell samples were measured to evaluate the correlation of these two variables with tracer matrix diffusion coefficients divided by the free-water diffusion coefficient ( Dm/ D*). To investigate the influence of fracture coating minerals on matrix diffusion, ten of the diffusion cells represented paired samples from the same depth interval in which one sample contained a fracture surface with mineral coatings and the other sample consisted of only pure matrix. The log of ( Dm/ D*) was found to be positively correlated with both the matrix porosity and the log of matrix permeability. A multiple linear regression analysis indicated that both parameters contributed significantly to the regression at the 95% confidence level. However, the log of the matrix diffusion coefficient was more highly-correlated with the log of matrix permeability than with matrix porosity, which suggests that matrix diffusion coefficients, like matrix permeabilities, have a greater dependence on the interconnectedness of matrix porosity than on the matrix porosity itself. The regression equation for the volcanic rocks was found to provide satisfactory predictions of log( Dm/ D*) for other types of rocks with similar ranges of matrix porosity and permeability as the volcanic rocks, but it did a poorer job predicting log( Dm/ D*) for rocks with lower porosities and/or permeabilities. The presence of mineral coatings on fracture walls did not appear to have a significant effect on matrix diffusion in the ten paired diffusion cell experiments.

Numerical Modeling of STARx for Ex Situ Soil Remediation

NASA Astrophysics Data System (ADS)

Gerhard, J.; Solinger, R. L.; Grant, G.; Scholes, G.

2016-12-01

Growing stockpiles of contaminated soils contaminated with petroleum hydrocarbons are an outstanding problem worldwide. Self-sustaining Treatment for Active Remediation (STAR) is an emerging technology based on smouldering combustion that has been successfully deployed for in situ remediation. STAR has also been developed for ex situ applications (STARx). This work used a two-dimensional numerical model to systematically explore the sensitivity of ex situ remedial performance to key design and operational parameters. First the model was calibrated and validated against pilot scale experiments, providing confidence that the rate and extent of treatment were correctly predicted. Simulations then investigated sensitivity of remedial performance to injected air flux, contaminant saturation, system configuration, heterogeneity of intrinsic permeability, heterogeneity of contaminant saturation, and system scale. Remedial performance was predicted to be most sensitive to the injected air flux, with higher air fluxes achieving higher treatment rates and remediating larger fractions of the initial contaminant mass. The uniformity of the advancing smouldering front was predicted to be highly dependent on effective permeability contrasts between treated and untreated sections of the contaminant pack. As a result, increased heterogeneity (of intrinsic permeability in particular) is predicted to lower remedial performance. Full-scale systems were predicted to achieve treatment rates an order of magnitude higher than the pilot scale for similar contaminant saturation and injected air flux. This work contributed to the large scale STARx treatment system that is being tested at a field site in Fall 2016.

Measuring and predicting reservoir heterogeneity in complex deposystems. Annual report, September 20, 1990--September 20, 1991

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donaldson, A.; Shumaker, R.; Laughrey, C.

1992-08-01

The Lower Mississippian Big Injun sandstone, a major oil producer in the western half of West Virginia, consists of several sandstones that overstep each west. Examination of cores and thin sections has led to preliminary interpretations of depositional environments for the Big Injun. These include distributary-mouth bars with associated distal, bar crest and back bar environments in a marine-deltaic system; and channel, point bar and chute environments in a fluvial system. Overall, the Big Injun is a medium-grained sublitharenite in which initially high porosity has been modified by compaction and diagenesis. Chlorite grain coatings helped to preserve original porosity, whereasmore » illite promoted pressure solution during compaction, resulting in a loss of porosity. Diagenetic effects within specific environments are being evaluated to determine if environmental interpretations can be used to predict porosity preservation. Core plugs taken from cores in Granny Creek field were analyzed for porosity and horizontal and vertical permeability. Directional permeability was negligible, but permeability does correlate with depth. Changes in permeability with depth can be related to subdivisions of the Big Injun determined from density logs. Permeability also correlated with porosity, but porosity values derived from both cores and logs show no significant correlation trend at present. A layered reservoir model is being developed to evaluate the effect of these vertical heterogeneities. Initial attempts to characterize the heterogeneity of the Big Injun reservoir in Granny Creek field used a number of direct and indirect methods.« less

Measuring and predicting reservoir heterogeneity in complex deposystems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donaldson, A.; Shumaker, R.; Laughrey, C.

1992-08-01

The Lower Mississippian Big Injun sandstone, a major oil producer in the western half of West Virginia, consists of several sandstones that overstep each west. Examination of cores and thin sections has led to preliminary interpretations of depositional environments for the Big Injun. These include distributary-mouth bars with associated distal, bar crest and back bar environments in a marine-deltaic system; and channel, point bar and chute environments in a fluvial system. Overall, the Big Injun is a medium-grained sublitharenite in which initially high porosity has been modified by compaction and diagenesis. Chlorite grain coatings helped to preserve original porosity, whereasmore » illite promoted pressure solution during compaction, resulting in a loss of porosity. Diagenetic effects within specific environments are being evaluated to determine if environmental interpretations can be used to predict porosity preservation. Core plugs taken from cores in Granny Creek field were analyzed for porosity and horizontal and vertical permeability. Directional permeability was negligible, but permeability does correlate with depth. Changes in permeability with depth can be related to subdivisions of the Big Injun determined from density logs. Permeability also correlated with porosity, but porosity values derived from both cores and logs show no significant correlation trend at present. A layered reservoir model is being developed to evaluate the effect of these vertical heterogeneities. Initial attempts to characterize the heterogeneity of the Big Injun reservoir in Granny Creek field used a number of direct and indirect methods.« less

Classification of cassava starch films by physicochemical properties and water vapor permeability quantification by FTIR and PLS.

PubMed

Henrique, C M; Teófilo, R F; Sabino, L; Ferreira, M M C; Cereda, M P

2007-05-01

Cassava starches are widely used in the production of biodegradable films, but their resistance to humidity migration is very low. In this work, commercial cassava starch films were studied and classified according to their physicochemical properties. A nondestructive method for water vapor permeability determination, which combines with infrared spectroscopy and multivariate calibration, is also presented. The following commercial cassava starches were studied: pregelatinized (amidomax 3550), carboxymethylated starch (CMA) of low and high viscosities, and esterified starches. To make the films, 2 different starch concentrations were evaluated, consisting of water suspensions with 3% and 5% starch. The filmogenic solutions were dried and characterized for their thickness, grammage, water vapor permeability, water activity, tensile strength (deformation force), water solubility, and puncture strength (deformation). The minimum thicknesses were 0.5 to 0.6 mm in pregelatinized starch films. The results were treated by means of the following chemometric methods: principal component analysis (PCA) and partial least squares (PLS) regression. PCA analysis on the physicochemical properties of the films showed that the differences in concentration of the dried material (3% and 5% starch) and also in the type of starch modification were mainly related to the following properties: permeability, solubility, and thickness. IR spectra collected in the region of 4000 to 600 cm(-1) were used to build a PLS model with good predictive power for water vapor permeability determination, with mean relative errors of 10.0% for cross-validation and 7.8% for the prediction set.

Assessment of the Effect of Intestinal Permeability Probes (Lactulose And Mannitol) and Other Liquids on Digesta Residence Times in Various Segments of the Gut Determined by Wireless Motility Capsule: A Randomised Controlled Trial.

PubMed

Sequeira, Ivana R; Lentle, Roger G; Kruger, Marlena C; Hurst, Roger D

2015-01-01

Whilst the use of the mannitol/lactulose test for intestinal permeability has been long established it is not known whether the doses of these sugars modify transit time Similarly it is not known whether substances such as aspirin that are known to increase intestinal permeability to lactulose and mannitol and those such as ascorbic acid which are stated to be beneficial to gastrointestinal health also influence intestinal transit time. Gastric and intestinal transit times were determined with a SmartPill following consumption of either a lactulose mannitol solution, a solution containing 600 mg aspirin, a solution containing 500 mg of ascorbic acid or an extract of blackcurrant, and compared by doubly repeated measures ANOVA with those following consumption of the same volume of a control in a cross-over study in six healthy female volunteers. The dominant frequencies of cyclic variations in gastric pressure recorded by the Smartpill were determined by fast Fourier transforms. The gastric transit times of lactulose mannitol solutions, of aspirin solutions and of blackcurrant juice did not differ from those of the control. The gastric transit times of the ascorbic acid solutions were significantly shorter than those of the other solutions. There were no significant differences between the various solutions either in the total small intestinal or colonic transit times. The intraluminal pHs during the initial quartiles of the small intestinal transit times were lower than those in the succeeding quartiles. This pattern did not vary with the solution that was consumed. The power of the frequencies of cyclic variation in intragastric pressure recorded by the Smartpill declined exponentially with increase in frequency and did not peak at the reported physiological frequencies of gastric contractile activity. Whilst the segmental residence times were broadly similar to those using other methods, the high degree of variation between subjects generally precluded the identification of all but gross variation between treatments. The lack of any differences between treatments in either total small or large intestinal transit times indicates that the solutions administered in the lactulose mannitol test of permeability had no consistent influence on the temporal pattern of absorption. The negatively exponential profile and lack of any peaks in the frequency spectra of cyclic variation in gastric intraluminal pressure that were consistent with reported physiological frequencies of contractile activity profile suggests that the principal source of this variation is stochastic likely resulting from the effects of external events occasioned by normal daily activities on intra-abdominal pressure. Australian New Zealand Clinical Trials Registry ACTRN12615000596505.

Water and solute permeability of rat lung caveolae: high permeabilities explained by acyl chain unsaturation.

PubMed

Hill, Warren G; Almasri, Eyad; Ruiz, W Giovanni; Apodaca, Gerard; Zeidel, Mark L

2005-07-01

Caveolae are invaginated membrane structures with high levels of cholesterol, sphingomyelin, and caveolin protein that are predicted to exist as liquid-ordered domains with low water permeability. We isolated a caveolae-enriched membrane fraction without detergents from rat lung and characterized its permeability properties to nonelectrolytes and protons. Membrane permeability to water was 2.85 +/- 0.41 x 10(-3) cm/s, a value 5-10 times higher than expected based on comparisons with other cholesterol and sphingolipid-enriched membranes. Permeabilities to urea, ammonia, and protons were measured and found to be moderately high for urea and ammonia at 8.85 +/- 2.40 x 10(-7)and 6.84 +/- 1.03 x 10(-2) respectively and high for protons at 8.84 +/- 3.06 x 10(-2) cm/s. To examine whether caveolin or other integral membrane proteins were responsible for high permeabilities, liposomes designed to mimic the lipids of the inner and outer leaflets of the caveolar membrane were made. Osmotic water permeability to both liposome compositions were determined and a combined inner/outer leaflet water permeability was calculated and found to be close to that of native caveolae at 1.58 +/- 1.1 x 10(-3) cm/s. In caveolae, activation energy for water flux was high (19.4 kcal/mol) and water permeability was not inhibited by HgCl2; however, aquaporin 1 was detectable by immunoblotting. Immunostaining of rat lung with AQP1 and caveolin antisera revealed very low levels of colocalization. We conclude that aquaporin water channels do not contribute significantly to the observed water flux and that caveolae have relatively high water and solute permeabilities due to the high degree of unsaturation in their fatty acyl chains.

Effect of sub-pore scale morphology of biological deposits on porous media flow properties

NASA Astrophysics Data System (ADS)

Ghezzehei, T. A.

2012-12-01

Biological deposits often influence fluid flow by altering the pore space morphology and related hydrologic properties such as porosity, water retention characteristics, and permeability. In most coupled-processes models changes in porosity are inferred from biological process models using mass-balance. The corresponding evolution of permeability is estimated using (semi-) empirical porosity-permeability functions such as the Kozeny-Carman equation or power-law functions. These equations typically do not account for the heterogeneous spatial distribution and morphological irregularities of the deposits. As a result, predictions of permeability evolution are generally unsatisfactory. In this presentation, we demonstrate the significance of pore-scale deposit distribution on porosity-permeability relations using high resolution simulations of fluid flow through a single pore interspersed with deposits of varying morphologies. Based on these simulations, we present a modification to the Kozeny-Carman model that accounts for the shape of the deposits. Limited comparison with published experimental data suggests the plausibility of the proposed conceptual model.

Pore-scale modeling of saturated permeabilities in random sphere packings.

PubMed

Pan, C; Hilpert, M; Miller, C T

2001-12-01

We use two pore-scale approaches, lattice-Boltzmann (LB) and pore-network modeling, to simulate single-phase flow in simulated sphere packings that vary in porosity and sphere-size distribution. For both modeling approaches, we determine the size of the representative elementary volume with respect to the permeability. Permeabilities obtained by LB modeling agree well with Rumpf and Gupte's experiments in sphere packings for small Reynolds numbers. The LB simulations agree well with the empirical Ergun equation for intermediate but not for small Reynolds numbers. We suggest a modified form of Ergun's equation to describe both low and intermediate Reynolds number flows. The pore-network simulations agree well with predictions from the effective-medium approximation but underestimate the permeability due to the simplified representation of the porous media. Based on LB simulations in packings with log-normal sphere-size distributions, we suggest a permeability relation with respect to the porosity, as well as the mean and standard deviation of the sphere diameter.

Simplified Physics Based Models Research Topical Report on Task #2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mishra, Srikanta; Ganesh, Priya

We present a simplified-physics based approach, where only the most important physical processes are modeled, to develop and validate simplified predictive models of CO2 sequestration in deep saline formation. The system of interest is a single vertical well injecting supercritical CO2 into a 2-D layered reservoir-caprock system with variable layer permeabilities. We use a set of well-designed full-physics compositional simulations to understand key processes and parameters affecting pressure propagation and buoyant plume migration. Based on these simulations, we have developed correlations for dimensionless injectivity as a function of the slope of fractional-flow curve, variance of layer permeability values, and themore » nature of vertical permeability arrangement. The same variables, along with a modified gravity number, can be used to develop a correlation for the total storage efficiency within the CO2 plume footprint. Similar correlations are also developed to predict the average pressure within the injection reservoir, and the pressure buildup within the caprock.« less

A poroelastic finite element model of the bone-cartilage unit to determine the effects of changes in permeability with osteoarthritis.

PubMed

Stender, Michael E; Regueiro, Richard A; Ferguson, Virginia L

2017-02-01

The changes experienced in synovial joints with osteoarthritis involve coupled chemical, biological, and mechanical processes. The aim of this study was to investigate the consequences of increasing permeability in articular cartilage (AC), calcified cartilage (CC), subchondral cortical bone (SCB), and subchondral trabecular bone (STB) as observed with osteoarthritis. Two poroelastic finite element models were developed using a depth-dependent anisotropic model of AC with strain-dependent permeability and poroelastic models of calcified tissues (CC, SCB, and STB). The first model simulated a bone-cartilage unit (BCU) in uniaxial unconfined compression, while the second model simulated spherical indentation of the AC surface. Results indicate that the permeability of AC is the primary determinant of the BCU's poromechanical response while the permeability of calcified tissues exerts no appreciable effect on the force-indentation response of the BCU. In spherical indentation simulations with osteoarthritic permeability properties, fluid velocities were larger in magnitude and distributed over a smaller area compared to normal tissues. In vivo, this phenomenon would likely lead to chondrocyte death, tissue remodeling, alterations in joint lubrication, and the progression of osteoarthritis. For osteoarthritic and normal tissue permeability values, fluid flow was predicted to occur across the osteochondral interface. These results help elucidate the consequences of increases in the permeability of the BCU that occur with osteoarthritis. Furthermore, this study may guide future treatments to counteract osteoarthritis.

Viscous flow in and around a cavity surrounded by a concentric permeable patch

NASA Astrophysics Data System (ADS)

Palaniappan, D.

2017-11-01

Steady viscous incompressible fluid flow in and around a spherical fluid cavity of radius a surrounded by a permeable patch with thickness b - a is investigated in the limit of low-Reynolds number. Our model uses the Stokes equations in the pure fluid regions and the Darcy law in the concentric permeable patch. Analytic solutions for the velocity and pressure fields are derived in singularity form involving the key parameters such as the Darcy permeability coefficient k and the thickness of the permeable layer. The Faxen law for the hydrodynamical drag acting on the concentric spherical geometry due to an arbitrary incident flow is extracted from our singularity solutions. It is found that the thickness of the permeable layer and the permeability play a crucial role in controlling the drag. An expression for the mass of the fluid that enters the outer sphere is calculated by integrating the exterior radial velocity field. The hydrodynamic force on the concentric spherical shell due to the flow induced by a Stokeslet is also derived from our general expressions. Several special cases of interest are deduced from our exact analysis. The results are of some interest in the prediction of forces exerted on the walls in certain biological models with permeable layers. I request you to place my presentation on the 19th (Sunday) as I have to give final exams on Monday. Thank you.

Evaluation of capillary permeability and microcirculation in patients with chronic venous hypertension treated with venoruton by the vacuum suction chamber (VSC) device and laser-Doppler flowmetry.

PubMed

Belcaro, G; D'Aulerio, A; Rulo, A; Candiani, C

1988-01-01

A new system to study capillary permeability, the VSC (vacuum suction chamber) device has been developed to evaluate the variations of capillary permeability in postphlebitic limbs. The VSC device produces by negative pressure [obtained in a plastic chamber applied to the skin at the perimalleolar region] a wheal which disappears in normals in less than one hour. In twelve patients with moderate [superficial] venous hypertension and in twelve patients with postphlebitic limbs the time of disappearance of the wheals was significantly longer in comparison with ten normal limbs. There was also a significantly increased time of disappearance of the wheals in postphlebitic legs in comparison with those with superficial incompetence. The validation of the VSC technique with venous occlusion plethysmography (VOP) showed that the increase of time of disappearance of the wheals is well correlated with the increase of capillary permeability demonstrated by VOP. After 2 weeks treatment with Venoruton (at the dosage of 1000 mg t.i.d.) the time of disappearance of the wheal was significantly reduced in both groups of patients (while it was unchanged in normals). Laser-Doppler parameters used together with the VSC device to evaluate the microcirculatory changes associated with an altered capillary permeability also showed a significant improvement of the laser-Doppler parameters after treatment. In conclusion there is evidence by the VSC device that capillary permeability [which is abnormally increased] in chronic venous hypertension is improved [decreased] after treatment for two weeks with Venoruton. This study demonstrated also the efficacy of the VSC device to study capillary permeability and the effects of drugs active on capillary permeability.

Cell permeability beyond the rule of 5.

PubMed

Matsson, Pär; Doak, Bradley C; Over, Björn; Kihlberg, Jan

2016-06-01

Drug discovery for difficult targets that have large and flat binding sites is often better suited to compounds beyond the "rule of 5" (bRo5). However, such compounds carry higher pharmacokinetic risks, such as low solubility and permeability, and increased efflux and metabolism. Interestingly, recent drug approvals and studies suggest that cell permeable and orally bioavailable drugs can be discovered far into bRo5 space. Tactics such as reduction or shielding of polarity by N-methylation, bulky side chains and intramolecular hydrogen bonds may be used to increase cell permeability in this space, but often results in decreased solubility. Conformationally flexible compounds can, however, combine high permeability and solubility, properties that are keys for cell permeability and intestinal absorption. Recent developments in computational conformational analysis will aid design of such compounds and hence prediction of cell permeability. Transporter mediated efflux occurs for most investigated drugs in bRo5 space, however it is commonly overcome by high local intestinal concentrations on oral administration. In contrast, there is little data to support significant impact of transporter-mediated intestinal absorption in bRo5 space. Current knowledge of compound properties that govern transporter effects of bRo5 drugs is limited and requires further fundamental and comprehensive studies. Copyright © 2016 Elsevier B.V. All rights reserved.

Multiscale characterization of a heterogeneous aquifer using an ASR operation.

PubMed

Pavelic, Paul; Dillon, Peter J; Simmons, Craig T

2006-01-01

Heterogeneity in the physical properties of an aquifer can significantly affect the viability of aquifer storage and recovery (ASR) by reducing the recoverable proportion of low-salinity water where the ambient ground water is brackish or saline. This study investigated the relationship between knowledge of heterogeneity and predictions of solute transport and recovery efficiency by combining permeability and ASR-based tracer testing with modeling. Multiscale permeability testing of a sandy limestone aquifer at an ASR trial site showed that small-scale core data give lower-bound estimates of aquifer hydraulic conductivity (K), intermediate-scale downhole flowmeter data offer valuable information on variations in K with depth, and large-scale pumping test data provide an integrated measure of the effective K that is useful to constrain ground water models. Chloride breakthrough and thermal profiling data measured during two cycles of ASR showed that the movement of injected water is predominantly within two stratigraphic layers identified from the flowmeter data. The behavior of the injectant was reasonably well simulated with a four-layer numerical model that required minimal calibration. Verification in the second cycle achieved acceptable results given the model's simplicity. Without accounting for the aquifer's layered structure, high precision could be achieved on either piezometer breakthrough or recovered water quality, but not both. This study demonstrates the merit of an integrated approach to characterizing aquifers targeted for ASR.

Regression-based reduced-order models to predict transient thermal output for enhanced geothermal systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mudunuru, Maruti Kumar; Karra, Satish; Harp, Dylan Robert

Reduced-order modeling is a promising approach, as many phenomena can be described by a few parameters/mechanisms. An advantage and attractive aspect of a reduced-order model is that it is computational inexpensive to evaluate when compared to running a high-fidelity numerical simulation. A reduced-order model takes couple of seconds to run on a laptop while a high-fidelity simulation may take couple of hours to run on a high-performance computing cluster. The goal of this paper is to assess the utility of regression-based reduced-order models (ROMs) developed from high-fidelity numerical simulations for predicting transient thermal power output for an enhanced geothermal reservoirmore » while explicitly accounting for uncertainties in the subsurface system and site-specific details. Numerical simulations are performed based on equally spaced values in the specified range of model parameters. Key sensitive parameters are then identified from these simulations, which are fracture zone permeability, well/skin factor, bottom hole pressure, and injection flow rate. We found the fracture zone permeability to be the most sensitive parameter. The fracture zone permeability along with time, are used to build regression-based ROMs for the thermal power output. The ROMs are trained and validated using detailed physics-based numerical simulations. Finally, predictions from the ROMs are then compared with field data. We propose three different ROMs with different levels of model parsimony, each describing key and essential features of the power production curves. The coefficients in the proposed regression-based ROMs are developed by minimizing a non-linear least-squares misfit function using the Levenberg–Marquardt algorithm. The misfit function is based on the difference between numerical simulation data and reduced-order model. ROM-1 is constructed based on polynomials up to fourth order. ROM-1 is able to accurately reproduce the power output of numerical simulations for low values of permeabilities and certain features of the field-scale data. ROM-2 is a model with more analytical functions consisting of polynomials up to order eight, exponential functions and smooth approximations of Heaviside functions, and accurately describes the field-data. At higher permeabilities, ROM-2 reproduces numerical results better than ROM-1, however, there is a considerable deviation from numerical results at low fracture zone permeabilities. ROM-3 consists of polynomials up to order ten, and is developed by taking the best aspects of ROM-1 and ROM-2. ROM-1 is relatively parsimonious than ROM-2 and ROM-3, while ROM-2 overfits the data. ROM-3 on the other hand, provides a middle ground for model parsimony. Based on R 2-values for training, validation, and prediction data sets we found that ROM-3 is better model than ROM-2 and ROM-1. For predicting thermal drawdown in EGS applications, where high fracture zone permeabilities (typically greater than 10 –15 m 2) are desired, ROM-2 and ROM-3 outperform ROM-1. As per computational time, all the ROMs are 10 4 times faster when compared to running a high-fidelity numerical simulation. In conclusion, this makes the proposed regression-based ROMs attractive for real-time EGS applications because they are fast and provide reasonably good predictions for thermal power output.« less

Regression-based reduced-order models to predict transient thermal output for enhanced geothermal systems

DOE PAGES

Mudunuru, Maruti Kumar; Karra, Satish; Harp, Dylan Robert; ...

2017-07-10

Reduced-order modeling is a promising approach, as many phenomena can be described by a few parameters/mechanisms. An advantage and attractive aspect of a reduced-order model is that it is computational inexpensive to evaluate when compared to running a high-fidelity numerical simulation. A reduced-order model takes couple of seconds to run on a laptop while a high-fidelity simulation may take couple of hours to run on a high-performance computing cluster. The goal of this paper is to assess the utility of regression-based reduced-order models (ROMs) developed from high-fidelity numerical simulations for predicting transient thermal power output for an enhanced geothermal reservoirmore » while explicitly accounting for uncertainties in the subsurface system and site-specific details. Numerical simulations are performed based on equally spaced values in the specified range of model parameters. Key sensitive parameters are then identified from these simulations, which are fracture zone permeability, well/skin factor, bottom hole pressure, and injection flow rate. We found the fracture zone permeability to be the most sensitive parameter. The fracture zone permeability along with time, are used to build regression-based ROMs for the thermal power output. The ROMs are trained and validated using detailed physics-based numerical simulations. Finally, predictions from the ROMs are then compared with field data. We propose three different ROMs with different levels of model parsimony, each describing key and essential features of the power production curves. The coefficients in the proposed regression-based ROMs are developed by minimizing a non-linear least-squares misfit function using the Levenberg–Marquardt algorithm. The misfit function is based on the difference between numerical simulation data and reduced-order model. ROM-1 is constructed based on polynomials up to fourth order. ROM-1 is able to accurately reproduce the power output of numerical simulations for low values of permeabilities and certain features of the field-scale data. ROM-2 is a model with more analytical functions consisting of polynomials up to order eight, exponential functions and smooth approximations of Heaviside functions, and accurately describes the field-data. At higher permeabilities, ROM-2 reproduces numerical results better than ROM-1, however, there is a considerable deviation from numerical results at low fracture zone permeabilities. ROM-3 consists of polynomials up to order ten, and is developed by taking the best aspects of ROM-1 and ROM-2. ROM-1 is relatively parsimonious than ROM-2 and ROM-3, while ROM-2 overfits the data. ROM-3 on the other hand, provides a middle ground for model parsimony. Based on R 2-values for training, validation, and prediction data sets we found that ROM-3 is better model than ROM-2 and ROM-1. For predicting thermal drawdown in EGS applications, where high fracture zone permeabilities (typically greater than 10 –15 m 2) are desired, ROM-2 and ROM-3 outperform ROM-1. As per computational time, all the ROMs are 10 4 times faster when compared to running a high-fidelity numerical simulation. In conclusion, this makes the proposed regression-based ROMs attractive for real-time EGS applications because they are fast and provide reasonably good predictions for thermal power output.« less

Unraveling the dynamics of magmatic CO2 degassing at Mammoth Mountain, California

USGS Publications Warehouse

Pfeiffer, Loic; Wanner, Christoph; Lewicki, Jennifer L.

2018-01-01

The accumulation of magmatic CO2 beneath low-permeability barriers may lead to the formation of CO2-rich gas reservoirs within volcanic systems. Such accumulation is often evidenced by high surface CO2 emissions that fluctuate over time. The temporal variability in surface degassing is believed in part to reflect a complex interplay between deep magmatic degassing and the permeability of degassing pathways. A better understanding of the dynamics of CO2 degassing is required to improve monitoring and hazards mitigation in these systems. Owing to the availability of long-term records of CO2 emissions rates and seismicity, Mammoth Mountain in California constitutes an ideal site towards such predictive understanding. Mammoth Mountain is characterized by intense soil CO2 degassing (up to ∼1000 t d−1) and tree kill areas that resulted from leakage of CO2 from a CO2-rich gas reservoir located in the upper ∼4 km. The release of CO2-rich fluids from deeper basaltic intrusions towards the reservoir induces seismicity and potentially reactivates faults connecting the reservoir to the surface. While this conceptual model is well-accepted, there is still a debate whether temporally variable surface CO2 fluxes directly reflect degassing of intrusions or variations in fault permeability. Here, we report the first large-scale numerical model of fluid and heat transport for Mammoth Mountain. We discuss processes (i) leading to the initial formation of the CO2-rich gas reservoir prior to the occurrence of high surface CO2 degassing rates and (ii) controlling current CO2 degassing at the surface. Although the modeling settings are site-specific, the key mechanisms discussed in this study are likely at play at other volcanic systems hosting CO2-rich gas reservoirs. In particular, our model results illustrate the role of convection in stripping a CO2-rich gas phase from a rising hydrothermal fluid and leading to an accumulation of a large mass of CO2 (∼107–108 t) in a shallow gas reservoir. Moreover, we show that both, short-lived (months to years) and long-lived (hundreds of years) events of magmatic fluid injection can lead to critical pressures within the reservoir and potentially trigger fault reactivation. Our sensitivity analysis suggests that observed temporal fluctuations in surface degassing are only indirectly controlled by variations in magmatic degassing and are mainly the result of temporally variable fault permeability. Finally, we suggest that long-term CO2 emission monitoring, seismic tomography and coupled thermal–hydraulic–mechanical modeling are important for CO2-related hazard mitigation.

Numerical simulation on hydromechanical coupling in porous media adopting three-dimensional pore-scale model.

PubMed

Liu, Jianjun; Song, Rui; Cui, Mengmeng

2014-01-01

A novel approach of simulating hydromechanical coupling in pore-scale models of porous media is presented in this paper. Parameters of the sandstone samples, such as the stress-strain curve, Poisson's ratio, and permeability under different pore pressure and confining pressure, are tested in laboratory scale. The micro-CT scanner is employed to scan the samples for three-dimensional images, as input to construct the model. Accordingly, four physical models possessing the same pore and rock matrix characteristics as the natural sandstones are developed. Based on the micro-CT images, the three-dimensional finite element models of both rock matrix and pore space are established by MIMICS and ICEM software platform. Navier-Stokes equation and elastic constitutive equation are used as the mathematical model for simulation. A hydromechanical coupling analysis in pore-scale finite element model of porous media is simulated by ANSYS and CFX software. Hereby, permeability of sandstone samples under different pore pressure and confining pressure has been predicted. The simulation results agree well with the benchmark data. Through reproducing its stress state underground, the prediction accuracy of the porous rock permeability in pore-scale simulation is promoted. Consequently, the effects of pore pressure and confining pressure on permeability are revealed from the microscopic view.

Numerical Simulation on Hydromechanical Coupling in Porous Media Adopting Three-Dimensional Pore-Scale Model

PubMed Central

Liu, Jianjun; Song, Rui; Cui, Mengmeng

2014-01-01

A novel approach of simulating hydromechanical coupling in pore-scale models of porous media is presented in this paper. Parameters of the sandstone samples, such as the stress-strain curve, Poisson's ratio, and permeability under different pore pressure and confining pressure, are tested in laboratory scale. The micro-CT scanner is employed to scan the samples for three-dimensional images, as input to construct the model. Accordingly, four physical models possessing the same pore and rock matrix characteristics as the natural sandstones are developed. Based on the micro-CT images, the three-dimensional finite element models of both rock matrix and pore space are established by MIMICS and ICEM software platform. Navier-Stokes equation and elastic constitutive equation are used as the mathematical model for simulation. A hydromechanical coupling analysis in pore-scale finite element model of porous media is simulated by ANSYS and CFX software. Hereby, permeability of sandstone samples under different pore pressure and confining pressure has been predicted. The simulation results agree well with the benchmark data. Through reproducing its stress state underground, the prediction accuracy of the porous rock permeability in pore-scale simulation is promoted. Consequently, the effects of pore pressure and confining pressure on permeability are revealed from the microscopic view. PMID:24955384

Establishment of quantitative retention-activity model by optimized microemulsion liquid chromatography.

PubMed

Xu, Liyuan; Gao, Haoshi; Li, Liangxing; Li, Yinnong; Wang, Liuyun; Gao, Chongkai; Li, Ning

2016-12-23

The effective permeability coefficient is of theoretical and practical importance in evaluation of the bioavailability of drug candidates. However, most methods currently used to measure this coefficient are expensive and time-consuming. In this paper, we addressed these problems by proposing a new measurement method which is based on the microemulsion liquid chromatography. First, the parallel artificial membrane permeability assays model was used to determine the effective permeability of drug so that quantitative retention-activity relationships could be established, which were used to optimize the microemulsion liquid chromatography. The most effective microemulsion system used a mobile phase of 6.0% (w/w) Brij35, 6.6% (w/w) butanol, 0.8% (w/w) octanol, and 86.6% (w/w) phosphate buffer (pH 7.4). Next, support vector machine and back-propagation neural networks are employed to develop a quantitative retention-activity relationships model associated with the optimal microemulsion system, and used to improve the prediction ability. Finally, an adequate correlation between experimental value and predicted value is computed to verify the performance of the optimal model. The results indicate that the microemulsion liquid chromatography can serve as a possible alternative to the PAMPA method for determination of high-throughput permeability and simulation of biological processes. Copyright © 2016. Published by Elsevier B.V.

pH-dependent solubility and permeability profiles: A useful tool for prediction of oral bioavailability.

PubMed

Sieger, P; Cui, Y; Scheuerer, S

2017-07-15

pH-dependent solubility - permeability profiles offer a simple way to predict bioavailability after oral application, if bioavailability is only solubility and permeability driven. Combining both pH-dependent solubility and pH-dependent permeability in one diagram provides a pH-window (=ΔpH sol-perm ) from which the conditions for optimal oral bioavailability can be taken. The size of this window is directly proportional to the observed oral bioavailability. A set of 21 compounds, with known absolute human oral bioavailability, was used to establish this correlation. Compounds with ΔpH sol-perm <2 exhibit poor oral bioavailability (<25%). An increase of ΔpH sol-perm by one pH-unit increases oral bioavailability typically by approximately 25%. For compounds where ΔpH sol-perm ≥3 but still showing poor bioavailability, most probably other pharmacokinetic aspects (e.g. high clearance), are limiting exposure. Interestingly, the location of this pH-window seems to have a negligible influence on the observed oral bioavailability. In scenarios, where the bioavailability is impaired by certain factors, like for example proton pump inhibitor co-medication or food intake, the exact position of this pH-window might be beneficial for understanding the root cause. Copyright © 2017 Elsevier B.V. All rights reserved.

Stainless Steel Permeability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buchenauer, Dean A.; Karnesky, Richard A.

An understanding of the behavior of hydrogen isotopes in materials is critical to predicting tritium transport in structural metals (at high pressure), estimating tritium losses during production (fission environment), and predicting in-vessel inventory for future fusion devices (plasma driven permeation). Current models often assume equilibrium diffusivity and solubility for a class of materials (e.g. stainless steels or aluminum alloys), neglecting trapping effects or, at best, considering a single population of trapping sites. Permeation and trapping studies of the particular castings and forgings enable greater confidence and reduced margins in the models. For FY15, we have continued our investigation of themore » role of ferrite in permeation for steels of interest to GTS, through measurements of the duplex steel 2507. We also initiated an investigation of the permeability in work hardened materials, to follow up on earlier observations of unusual permeability in a particular region of 304L forgings. Samples were prepared and characterized for ferrite content and coated with palladium to prevent oxidation. Issues with the poor reproducibility of measurements at low permeability were overcome, although the techniques in use are tedious. Funding through TPBAR and GTS were secured for a research grade quadrupole mass spectrometer (QMS) and replacement turbo pumps, which should improve the fidelity and throughput of measurements in FY16.« less

Direct numerical simulation of supercritical gas flow in complex nanoporous media: Elucidating the relationship between permeability and pore space geometry

NASA Astrophysics Data System (ADS)

Landry, C. J.; Prodanovic, M.; Eichhubl, P.

2015-12-01

Mudrocks and shales are currently a significant source of natural gas and understanding the basic transport properties of these formations is critical to predicting long-term production, however, the nanoporous nature of mudrocks presents a unique challenge. Mudrock pores are predominantly in the range of 1-100 nm, and within this size range the flow of gas at reservoir conditions will fall within the slip-flow and early transition-flow regime (0.001 < Kn < 1.0). Therefore, flow-rates will significantly deviate from Navier-Stokes predictions. Currently, the study of slip-flows is mostly limited to simple tube and channel geometries, but the geometry of mudrock pores is often sponge-like (organic matter) and/or platy (clays). Here we present a local effective viscosity lattice Boltzmann model (LEV-LBM) constructed for flow simulation in the slip- and early-transition flow regimes, adapted here for complex geometries. At the macroscopic scale the LEV-LBM is parameterized with local effective viscosities at each node to capture the variance of the mean free path of gas molecules in a bounded system. The LEV-LBM is first validated in simple tube geometries, where excellent agreement with linearized Boltzmann solutions is found for Knudsen numbers up to 1.0. The LEV-LBM is then employed to quantify the length effect on the apparent permeability of tubes, which suggests pore network modeling of flow in the slip and early-transition regime will result in overestimation unless the length effect is considered. Furthermore, the LEV-LBM is used to evaluate the predictive value of commonly measured pore geometry characteristics such as porosity, pore size distribution, and specific solid surface area for the calculation of permeability. We show that bundle of tubes models grossly overestimate apparent permeability, as well as underestimate the increase in apparent permeability with decreasing pressure as a result of excluding topology and pore shape from calculations.

Generation, Analysis and Characterization of Anisotropic Engineered Meta Materials

NASA Astrophysics Data System (ADS)

Trifale, Ninad T.

A methodology for a systematic generation of highly anisotropic micro-lattice structures was investigated. Multiple algorithms for generation and validation of engineered structures are developed and evaluated. Set of all possible permutations of structures for an 8-node cubic unit cell were considered and the degree of anisotropy of meta-properties in heat transport and mechanical elasticity were evaluated. Feasibility checks were performed to ensure that the generated unit cell network was repeatable and a continuous lattice structure. Four different strategies for generating permutations of the structures are discussed. Analytical models were developed to predict effective thermal, mechanical and permeability characteristics of these cellular structures.Experimentation and numerical modeling techniques were used to validate the models that are developed. A self-consistent mechanical elasticity model was developed which connects the meso-scale properties to stiffness of individual struts. A three dimensional thermal resistance network analogy was used to evaluate the effective thermal conductivity of the structures. The struts were modeled as a network of one dimensional thermal resistive elements and effective conductivity evaluated. Models were validated against numerical simulations and experimental measurements on 3D printed samples. Model was developed to predict effective permeability of these engineered structures based on Darcy's law. Drag coefficients were evaluated for individual connections in transverse and longitudinal directions and an interaction term was calibrated from the experimental data in literature in order to predict permeability. Generic optimization framework coupled to finite element solver is developed for analyzing any application involving use of porous structures. An objective functions were generated structure to address frequently observed trade-off between the stiffness, thermal conductivity, permeability and porosity. Three application were analyzed for potential use of engineered materials. Heat spreader application involving thermal and mechanical constraints, artificial bone grafts application involving mechanical and permeability constraints and structural materials applications involving mechanical, thermal and porosity constraints is analyzed. Recommendations for optimum topologies for specific operating conditions are provided.

Predicting bulk permeability using outcrop fracture attributes: The benefits of a Maximum Likelihood Estimator

NASA Astrophysics Data System (ADS)

Rizzo, R. E.; Healy, D.; De Siena, L.

2015-12-01

The success of any model prediction is largely dependent on the accuracy with which its parameters are known. In characterising fracture networks in naturally fractured rocks, the main issues are related with the difficulties in accurately up- and down-scaling the parameters governing the distribution of fracture attributes. Optimal characterisation and analysis of fracture attributes (fracture lengths, apertures, orientations and densities) represents a fundamental step which can aid the estimation of permeability and fluid flow, which are of primary importance in a number of contexts ranging from hydrocarbon production in fractured reservoirs and reservoir stimulation by hydrofracturing, to geothermal energy extraction and deeper Earth systems, such as earthquakes and ocean floor hydrothermal venting. This work focuses on linking fracture data collected directly from outcrops to permeability estimation and fracture network modelling. Outcrop studies can supplement the limited data inherent to natural fractured systems in the subsurface. The study area is a highly fractured upper Miocene biosiliceous mudstone formation cropping out along the coastline north of Santa Cruz (California, USA). These unique outcrops exposes a recently active bitumen-bearing formation representing a geological analogue of a fractured top seal. In order to validate field observations as useful analogues of subsurface reservoirs, we describe a methodology of statistical analysis for more accurate probability distribution of fracture attributes, using Maximum Likelihood Estimators. These procedures aim to understand whether the average permeability of a fracture network can be predicted reducing its uncertainties, and if outcrop measurements of fracture attributes can be used directly to generate statistically identical fracture network models.

A Study of Permeability Changes Due to Cold Fluid Circulation in Fractured Geothermal Reservoirs.

PubMed

Gholizadeh Doonechaly, Nima; Abdel Azim, Reda R; Rahman, Sheik S

2016-05-01

Reservoir behavior due to injection and circulation of cold fluid is studied with a shear displacement model based on the distributed dislocation technique, in a poro-thermoelastic environment. The approach is applied to a selected volume of Soultz geothermal reservoir at a depth range of 3600 to 3700 m. Permeability enhancement and geothermal potential of Soultz geothermal reservoir are assessed over a stimulation period of 3 months and a fluid circulation period of 14 years. This study-by shedding light onto another source of uncertainty-points toward a special role for the fracture surface asperities in predicting the shear dilation of fractures. It was also observed that thermal stress has a significant impact on changing the reservoir stress field. The effect of thermal stresses on reservoir behavior is more evident over longer circulation term as the rock matrix temperature is significantly lowered. Change in the fracture permeability due to the thermal stresses can also lead to the short circuiting between the injection and production wells which in turn decreases the produced fluid temperature significantly. The effect of thermal stress persists during the whole circulation period as it has significant impact on the continuous increase in the flow rate due to improved permeability over the circulation period. In the current study, taking into account the thermal stress resulted in a decrease of about 7 °C in predicted produced fluid temperature after 14 years of cold fluid circulation; a difference which notably influences the potential prediction of an enhanced geothermal system. © 2015, National Ground Water Association.

Multiphase Flow Characteristics of Heterogeneous Rocks From CO2 Storage Reservoirs in the United Kingdom

NASA Astrophysics Data System (ADS)

Reynolds, Catriona A.; Blunt, Martin J.; Krevor, Samuel

2018-02-01

We have studied the impact of heterogeneity on relative permeability and residual trapping for rock samples from the Bunter sandstone of the UK Southern North Sea, the Ormskirk sandstone of the East Irish Sea, and the Captain sandstone of the UK Northern North Sea. Reservoir condition CO2-brine relative permeability measurements were made while systematically varying the ratio of viscous to capillary flow potential, across a range of flow rates, fractional flow, and during drainage and imbibition displacement. This variation resulted in observations obtained across a range of core-scale capillary number 0.2

Predicting Air Permeability of Handloom Fabrics: A Comparative Analysis of Regression and Artificial Neural Network Models

NASA Astrophysics Data System (ADS)

Mitra, Ashis; Majumdar, Prabal Kumar; Bannerjee, Debamalya

2013-03-01

This paper presents a comparative analysis of two modeling methodologies for the prediction of air permeability of plain woven handloom cotton fabrics. Four basic fabric constructional parameters namely ends per inch, picks per inch, warp count and weft count have been used as inputs for artificial neural network (ANN) and regression models. Out of the four regression models tried, interaction model showed very good prediction performance with a meager mean absolute error of 2.017 %. However, ANN models demonstrated superiority over the regression models both in terms of correlation coefficient and mean absolute error. The ANN model with 10 nodes in the single hidden layer showed very good correlation coefficient of 0.982 and 0.929 and mean absolute error of only 0.923 and 2.043 % for training and testing data respectively.

Validation of a predictive model coupling gas transfer and microbial growth in fresh food packed under modified atmosphere.

PubMed

Guillard, V; Couvert, O; Stahl, V; Hanin, A; Denis, C; Huchet, V; Chaix, E; Loriot, C; Vincelot, T; Thuault, D

2016-09-01

Predicting microbial safety of fresh products in modified atmosphere packaging implies to take into account the dynamic of O2, CO2 and N2 exchanges in the system and its effect on microbial growth. In this paper a mechanistic model coupling gas transfer and predictive microbiology was validated using dedicated challenge-tests performed on poultry meat, fresh salmon and processed cheese, inoculated with either Listeria monocytogenes or Pseudomonas fluorescens and packed in commercially used packaging materials (tray + lid films). The model succeeded in predicting the relative variation of O2, CO2 and N2 partial pressure in headspace and the growth of the studied microorganisms without any parameter identification. This work highlighted that the respiration of the targeted microorganism itself and/or that of the naturally present microflora could not be neglected in most of the cases, and could, in the particular case of aerobic microbes contribute to limit the growth by removing all residual O2 in the package. This work also confirmed the low sensitivity of L. monocytogenes toward CO2 while that of P. fluorescens permitted to efficiently prevent its growth by choosing the right combination of packaging gas permeability value and initial % of CO2 initially flushed in the pack. Copyright © 2016 Elsevier Ltd. All rights reserved.

Implications of heterogeneous fracture distribution on reservoir quality; an analogue from the Torridon Group sandstone, Moine Thrust Belt, NW Scotland

NASA Astrophysics Data System (ADS)

Watkins, Hannah; Healy, David; Bond, Clare E.; Butler, Robert W. H.

2018-03-01

Understanding fracture network variation is fundamental in characterising fractured reservoirs. Simple relationships between fractures, stress and strain are commonly assumed in fold-thrust structures, inferring relatively homogeneous fracture patterns. In reality fractures are more complex, commonly appearing as heterogeneous networks at outcrop. We use the Achnashellach Culmination (NW Scotland) as an outcrop analogue to a folded tight sandstone reservoir in a thrust belt. We present fracture data is collected from four fold-thrust structures to determine how fracture connectivity, orientation, permeability anisotropy and fill vary at different structural positions. We use a 3D model of the field area, constructed using field observations and bedding data, and geomechanically restored using Move software, to determine how factors such as fold curvature and strain influence fracture variation. Fracture patterns in the Torridon Group are consistent and predictable in high strain forelimbs, however in low strain backlimbs fracture patterns are inconsistent. Heterogeneities in fracture connectivity and orientation in low strain regions do not correspond to fluctuations in strain or fold curvature. We infer that where strain is low, other factors such as lithology have a greater control on fracture formation. Despite unpredictable fracture attributes in low strain regions, fractured reservoir quality would be highest here because fractures in high strain forelimbs are infilled with quartz. Heterogeneities in fracture attribute data on fold backlimbs mean that fractured reservoir quality and reservoir potential is difficult to predict.

Straightforward entry to pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones and their ADME properties.

PubMed

Jatczak, Martyna; Muylaert, Koen; De Coen, Laurens M; Keemink, Janneke; Wuyts, Benjamin; Augustijns, Patrick; Stevens, Christian V

2014-08-01

A straightforward synthesis of pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones was developed starting from 2-chloropyridine-3-carboxylic acid by esterification, nucleophilic aromatic substitution and amide formation in one step, and ring closure allowing their synthesis with two identical or two different group attached to nitrogen. The structural diversity of these [2,3-d]pyrimidine-2,4(1H,3H)-diones resulted in significant variation in the biopharmaceutical properties. This was reflected by the broad range in fasted state simulated intestinal fluid solubility values (12.6 μM to 13.8 mM), Caco-2 permeability coefficients (1.2 × 10(-6)cm/s to 90.7 × 10(-6)cm/s) and in vitro-predicted human in vivo intrinsic clearance values (0 to 159 ml/min/kg). Copyright © 2014 Elsevier Ltd. All rights reserved.

Polymeric membrane materials: new aspects of empirical approaches to prediction of gas permeability parameters in relation to permanent gases, linear lower hydrocarbons and some toxic gases.

PubMed

Malykh, O V; Golub, A Yu; Teplyakov, V V

2011-05-11

Membrane gas separation technologies (air separation, hydrogen recovery from dehydrogenation processes, etc.) use traditionally the glassy polymer membranes with dominating permeability of "small" gas molecules. For this purposes the membranes based on the low free volume glassy polymers (e.g., polysulfone, tetrabromopolycarbonate and polyimides) are used. On the other hand, an application of membrane methods for VOCs and some toxic gas recovery from air, separation of the lower hydrocarbons containing mixtures (in petrochemistry and oil refining) needs the membranes with preferable penetration of components with relatively larger molecular sizes. In general, this kind of permeability is characterized for rubbers and for the high free volume glassy polymers. Data files accumulated (more than 1500 polymeric materials) represent the region of parameters "inside" of these "boundaries." Two main approaches to the prediction of gas permeability of polymers are considered in this paper: (1) the statistical treatment of published transport parameters of polymers and (2) the prediction using model of ≪diffusion jump≫ with consideration of the key properties of the diffusing molecule and polymeric matrix. In the frames of (1) the paper presents N-dimensional methods of the gas permeability estimation of polymers using the correlations "selectivity/permeability." It is found that the optimal accuracy of prediction is provided at n=4. In the frames of the solution-diffusion mechanism (2) the key properties include the effective molecular cross-section of penetrating species to be responsible for molecular transportation in polymeric matrix and the well known force constant (ε/k)(eff i) of {6-12} potential for gas-gas interaction. Set of corrected effective molecular cross-section of penetrant including noble gases (He, Ne, Ar, Kr, Xe), permanent gases (H(2), O(2), N(2), CO), ballast and toxic gases (CO(2), NO(,) NO(2), SO(2), H(2)S) and linear lower hydrocarbons (CH(4), C(2)H(6), C(3)H(8), C(4)H(10), C(2)H(4), C(3)H(6), C(4)H(8) - 1, C(2)H(2), C(3)H(4)-m (methylacetylene) and C(3)H(4)-a (allen) is determined by using two above mentioned approaches. All of this allows calculating preliminary the permeability parameters of above mentioned gases for most part of known polymers based on limited experimental data. The new correlations suggested demonstrate that the available free volume of polymeric matrix plays an important role in providing of rate and selectivity of gas diffusion for glassy-like polymers; the rate and selectivity of gas diffusion in rubbers is affected mainly by cohesion energy density (CED) the both polymer parameters being calculated by traditional additive group contributions technique. Results of present study are demonstrated by calculation of expected permeability parameters in relation to lower hydrocarbons and some toxic gases for polynorbornene based polymers, PIM and PTMSP outlining potential of practical application for new membrane polymers. Copyright © 2010 Elsevier B.V. All rights reserved.

QUANTITATIVE METHODS FOR RESERVOIR CHARACTERIZATION AND IMPROVED RECOVERY: APPLICATION TO HEAVY OIL SANDS

DOE Office of Scientific and Technical Information (OSTI.GOV)

James W. Castle; Fred J. Molz; Ronald W. Falta

2002-10-30

Improved prediction of interwell reservoir heterogeneity has the potential to increase productivity and to reduce recovery cost for California's heavy oil sands, which contain approximately 2.3 billion barrels of remaining reserves in the Temblor Formation and in other formations of the San Joaquin Valley. This investigation involves application of advanced analytical property-distribution methods conditioned to continuous outcrop control for improved reservoir characterization and simulation, particularly in heavy oil sands. The investigation was performed in collaboration with Chevron Production Company U.S.A. as an industrial partner, and incorporates data from the Temblor Formation in Chevron's West Coalinga Field. Observations of lateral variabilitymore » and vertical sequences observed in Temblor Formation outcrops has led to a better understanding of reservoir geology in West Coalinga Field. Based on the characteristics of stratigraphic bounding surfaces in the outcrops, these surfaces were identified in the subsurface using cores and logs. The bounding surfaces were mapped and then used as reference horizons in the reservoir modeling. Facies groups and facies tracts were recognized from outcrops and cores of the Temblor Formation and were applied to defining the stratigraphic framework and facies architecture for building 3D geological models. The following facies tracts were recognized: incised valley, estuarine, tide- to wave-dominated shoreline, diatomite, and subtidal. A new minipermeameter probe, which has important advantages over previous methods of measuring outcrop permeability, was developed during this project. The device, which measures permeability at the distal end of a small drillhole, avoids surface weathering effects and provides a superior seal compared with previous methods for measuring outcrop permeability. The new probe was used successfully for obtaining a high-quality permeability data set from an outcrop in southern Utah. Results obtained from analyzing the fractal structure of permeability data collected from the southern Utah outcrop and from core permeability data provided by Chevron from West Coalinga Field were used in distributing permeability values in 3D reservoir models. Spectral analyses and the Double Trace Moment method (Lavallee et al., 1991) were used to analyze the scaling and multifractality of permeability data from cores from West Coalinga Field. T2VOC, which is a numerical flow simulator capable of modeling multiphase, multi-component, nonisothermal flow, was used to model steam injection and oil production for a portion of section 36D in West Coalinga Field. The layer structure and permeability distributions of different models, including facies group, facies tract, and fractal permeability models, were incorporated into the numerical flow simulator. The injection and production histories of wells in the study area were modeled, including shutdowns and the occasional conversion of production wells to steam injection wells. The framework provided by facies groups provides a more realistic representation of the reservoir conditions than facies tracts, which is revealed by a comparison of the history-matching for the oil production. Permeability distributions obtained using the fractal results predict the high degree of heterogeneity within the reservoir sands of West Coalinga Field. The modeling results indicate that predictions of oil production are strongly influenced by the geologic framework and by the boundary conditions. The permeability data collected from the southern Utah outcrop, support a new concept for representing natural heterogeneity, which is called the fractal/facies concept. This hypothesis is one of the few potentially simplifying concepts to emerge from recent studies of geological heterogeneity. Further investigation of this concept should be done to more fully apply fractal analysis to reservoir modeling and simulation. Additional outcrop permeability data sets and further analysis of the data from distinct facies will be needed in order to fully develop this new concept.« less

Lipid melting and cuticular permeability: new insights into an old problem.

PubMed

Gibbs, Allen G.

2002-04-01

The idea that the physical properties of cuticular lipids affect cuticular permeability goes back over 65 years. This proposal has achieved textbook status, despite controversy and the general lack of direct supporting evidence. Recent work supports the standard model, in which lipid melting results in increased cuticular permeability. Surprisingly, although all species studied to date can synthesize lipids that remain in a solid state at environmental temperatures, partial melting often occurs due to the deposition of lipids with low melting points. This will tend to increase water loss; the benefits may include better dispersal of lipids or other compounds across the cuticle or improved communication via cuticular pheromones. In addition, insects with high melting-point lipids are not necessarily less permeable at low temperatures. One likely reason is variation in lipid properties within the cuticle. Surface lipids differ from one region to another, and biophysical studies of model mixtures suggest the occurrence of phase separation between melted and solid lipid fractions. Lipid phase separation may have important implications for insect water balance and chemical communication.

Gas permeability of ice-templated, unidirectional porous ceramics.

PubMed

Seuba, Jordi; Deville, Sylvain; Guizard, Christian; Stevenson, Adam J

2016-01-01

We investigate the gas flow behavior of unidirectional porous ceramics processed by ice-templating. The pore volume ranged between 54% and 72% and pore size between 2.9 [Formula: see text]m and 19.1 [Formula: see text]m. The maximum permeability ([Formula: see text] [Formula: see text] m[Formula: see text]) was measured in samples with the highest total pore volume (72%) and pore size (19.1 [Formula: see text]m). However, we demonstrate that it is possible to achieve a similar permeability ([Formula: see text] [Formula: see text] m[Formula: see text]) at 54% pore volume by modification of the pore shape. These results were compared with those reported and measured for isotropic porous materials processed by conventional techniques. In unidirectional porous materials tortuosity ([Formula: see text]) is mainly controlled by pore size, unlike in isotropic porous structures where [Formula: see text] is linked to pore volume. Furthermore, we assessed the applicability of Ergun and capillary model in the prediction of permeability and we found that the capillary model accurately describes the gas flow behavior of unidirectional porous materials. Finally, we combined the permeability data obtained here with strength data for these materials to establish links between strength and permeability of ice-templated materials.

Onset of natural convection in a continuously perturbed system

NASA Astrophysics Data System (ADS)

Ghorbani, Zohreh; Riaz, Amir

2017-11-01

The convective mixing triggered by gravitational instability plays an important role in CO2 sequestration in saline aquifers. The linear stability analysis and the numerical simulation concerning convective mixing in porous media requires perturbations of small amplitude to be imposed on the concentration field in the form of an initial shape function. In aquifers, however, the instability is triggered by local porosity and permeability. In this work, we consider a canonical 2D homogeneous system where perturbations arise due to spatial variation of porosity in the system. The advantage of this approach is not only the elimination of the required initial shape function, but it also serves as a more realistic approach. Using a reduced nonlinear method, we first explore the effect of harmonic variations of porosity in the transverse and streamwise direction on the onset time of convection and late time behavior. We then obtain the optimal porosity structure that minimizes the convection onset. We further examine the effect of a random porosity distribution, that is independent of the spatial mode of porosity structure, on the convection onset. Using high-order pseudospectral DNS, we explore how the random distribution differs from the modal approach in predicting the onset time.

Characterization of excess pore pressures at the toe of the Nankai accretionary complex, Ocean Drilling Program sites 1173, 1174, and 808: Results of one-dimensional modeling

NASA Astrophysics Data System (ADS)

Gamage, K.; Screaton, E.

2006-04-01

Elevated fluid pore pressures play a critical role in the development of accretionary complexes, including the development of the décollement zone. In this study, we used measured permeabilities of core samples from Ocean Drilling Program (ODP) Leg 190 to develop a permeability-porosity relationship for hemipelagic sediments at the toe of the Nankai accretionary complex. This permeability-porosity relationship was used in a one-dimensional loading and fluid flow model to simulate excess pore pressures and porosities. Simulated excess pore pressure ratios (as a fraction of lithostatic pressure-hydrostatic pressure) using the best fit permeability-porosity relationship were lower than predicted from previous studies. We then tested sensitivity of excess pore pressure ratios in the underthrust sediments to bulk permeability, lateral stress in the prism, and a hypothetical low-permeability barrier at the décollement. Our results demonstrated significant increase in pore pressures below the décollement with lower bulk permeability, such as obtained by using the lower boundary of permeability-porosity data, or when a low-permeability barrier is added at the décollement. In contrast, pore pressures in the underthrust sediments demonstrated less sensitivity to added lateral stresses in the prism, although the profile of the excess pore pressure ratio is affected. Both simulations with lateral stress and a low-permeability barrier at the décollement resulted in sharp increases in porosity at the décollement, similar to that observed in measured porosities. Furthermore, in both scenarios, maximum excess pore pressure ratios were found at the décollement, suggesting that either of these factors would contribute to stable sliding along the décollement.

The ring-shaped thermal field of Stefanos crater, Nisyros Island: a conceptual model

NASA Astrophysics Data System (ADS)

Pantaleo, M.; Walter, T. R.

2014-04-01

Fumarole fields related to hydrothermal processes release the heat of the underground through permeable pathways. Thermal changes, therefore, are likely to depend also on the size and permeability variation of these pathways. There may be different explanations for the observed permeability changes, such as fault control, lithology, weathering/alteration, heterogeneous sediment accumulation/erosion and physical changes of the fluids (e.g., temperature and viscosity). A common difficulty, however, in surface temperature field studies at active volcanoes is that the parameters controlling the ascending routes of fluids are poorly constrained in general. Here we analyze the crater of Stefanos, Nisyros (Greece), and highlight complexities in the spatial pattern of the fumarole field related to permeability conditions. We combine high-resolution infrared mosaics and grain-size analysis of soils, aiming to elaborate parameters controlling the appearance of the fumarole field. We find a ring-shaped thermal field located within the explosion crater, which we interpret to reflect near-surface contrasts of the soil granulometry and volcanotectonic history at depth. We develop a conceptual model of how the ring-shaped thermal field formed at the Stefanos crater and similarly at other volcanic edifices, highlighting the importance of local permeability contrast that may increase or decrease the thermal fluid flux.

Redox-controlled molecular permeability of composite-wall microcapsules

NASA Astrophysics Data System (ADS)

Ma, Yujie; Dong, Wen-Fei; Hempenius, Mark A.; Möhwald, Helmuth; Julius Vancso, G.

2006-09-01

Many smart materials in bioengineering, nanotechnology and medicine allow the storage and release of encapsulated drugs on demand at a specific location by an external stimulus. Owing to their versatility in material selection, polyelectrolyte multilayers are very promising systems in the development of microencapsulation technologies with permeation control governed by variations in the environmental conditions. Here, organometallic polyelectrolyte multilayer capsules, composed of polyanions and polycations of poly(ferrocenylsilane) (PFS), are introduced. Their preparation involved layer-by-layer self-assembly onto colloidal templates followed by core removal. PFS polyelectrolytes feature redox-active ferrocene units in the main chain. Incorporation of PFS into the capsule walls allowed us to explore the effects of a new stimulus, that is, changing the redox state, on capsule wall permeability. The permeability of these capsules could be sensitively tuned via chemical oxidation, resulting in a fast capsule expansion accompanied by a drastic permeability increase in response to a very small trigger. The substantial swelling could be suppressed by the application of an additional coating bearing common redox-inert species of poly(styrene sulfonate) (PSS-) and poly(allylamine hydrochloride) (PAH+) on the outer wall of the capsules. Hence, we obtained a unique capsule system with redox-controlled permeability and swellability with a high application potential in materials as well as in bioscience.

Gas separation performance of carbon molecular sieve membranes based on 6FDA-mPDA/DABA (3:2) polyimide.

PubMed

Qiu, Wulin; Zhang, Kuang; Li, Fuyue Stephanie; Zhang, Ke; Koros, William J

2014-04-01

6FDA-mPDA/DABA (3:2) polyimide was synthesized and characterized for uncross-linked, thermally crosslinked, and carbon molecular sieve (CMS) membranes. The membranes were characterized with thermogravimetric analysis, FTIR spectroscopy, wide-angle X-ray diffraction, and gas permeation tests. Variations in the d spacing, the formation of pore structures, and changes in the pore sizes of the CMS membranes were discussed in relation to pyrolysis protocols. The uncross-linked polymer membranes showed high CO2 /CH4 selectivity, whereas thermally crosslinked membranes exhibited significantly improved CO2 permeability and excellent CO2 plasticization resistance. The CMS membranes showed even higher CO2 permeability and CO2 /CH4 selectivity. An increase in the pyrolysis temperature resulted in CMS membranes with lower gas permeability but higher selectivity. The 550 °C pyrolyzed CMS membranes showed CO2 permeability as high as 14 750 Barrer with CO2 /CH4 selectivity of approximately 52. Even 800 °C pyrolyzed CMS membranes still showed high CO2 permeability of 2610 Barrer with high CO2 /CH4 selectivity of approximately 118. Both polymer membranes and the CMS membranes are very attractive in aggressive natural gas purification applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Permeability model of sintered porous media: analysis and experiments

NASA Astrophysics Data System (ADS)

Flórez Mera, Juan Pablo; Chiamulera, Maria E.; Mantelli, Marcia B. H.

2017-11-01

In this paper, the permeability of porous media fabricated from copper powder sintering process was modeled and measured, aiming the use of the porosity as input parameter for the prediction of the permeability of sintering porous media. An expression relating the powder particle mean diameter with the permeability was obtained, based on an elementary porous media cell, which is physically represented by a duct formed by the arrangement of spherical particles forming a simple or orthorhombic packing. A circular duct with variable section was used to model the fluid flow within the porous media, where the concept of the hydraulic diameter was applied. Thus, the porous is modeled as a converging-diverging duct. The electrical circuit analogy was employed to determine two hydraulic resistances of the cell: based on the Navier-Stokes equation and on the Darcýs law. The hydraulic resistances are compared between themselves and an expression to determine the permeability as function of average particle diameter is obtained. The atomized copper powder was sifted to reduce the size dispersion of the particles. The porosities and permeabilities of sintered media fabricated from powders with particle mean diameters ranging from 20 to 200 microns were measured, by means of the image analysis method and using an experimental apparatus. The permeability data of a porous media, made of copper powder and saturated with distilled water, was used to compare with the permeability model. Permeability literature models, which considers that powder particles have the same diameter and include porosity data as input parameter, were compared with the present model and experimental data. This comparison showed to be quite good.

The effect of CO2-fluid-rock interactions on the porosity and permeability of calcite-bearing sandstone

NASA Astrophysics Data System (ADS)

Lamy-Chappuis, B.; Yardley, B.; Grattoni, C.

2013-12-01

Brine acidification following CO2 dissolution will initiate fluid-rock interactions that could significantly modify porosity, permeability and therefore the capacity and injectivity of a reservoir. We have investigated experimentally the dissolution of calcite in sandstone cores injected with CO2-saturated brine, and the effect this has on permeability. A series of CT (Computerized Tomography) - monitored experiments were conducted on a Jurassic sandstone (porosity = 30%, permeability = 10mD, calcite content = 5% in the form of dispersed shell fragments). Brine saturated with CO2 at pressures up to 1 MPa was injected into 5cm long, 3.75cm diameter cores at a flow rate of 1 ml/min and room temperature. The data showed quasi-instantaneous dissolution of the calcite even at low CO2 concentrations (0.15 Molar) and high fluid interstitial velocities (1mm/s), with the migration of a calcite dissolution front through the core recorded by successive CT scans. The resulting permeability increase was 60 - 80% whereas the predicted permeability change for the observed increase in porosity is only 10 - 20% using the Kozeny-Carman relationship. This result is particularly significant because the effect of porosity increase on permeability is usually modelled with this relationship, irrespective of the mechanism of porosity increase. Micro-CT scans (pixel resolution: 2.5 microns) of unreacted cores were used to generate 3D porosity models with calcite either treated as solid (pre-reaction model) or converted to pores (post-reaction model). FLUENT simulations performed using these models predicted the observed large relative changes in permeability with calcite dissolution but overestimated absolute permeability by an order of magnitude. This was probably due to the scan resolution being too coarse to correctly model pore throats. The observed large change in permeability for a small change in porosity may have resulted from increase in connectivity, focused dissolution at the pore throats or reduction in tortuosity. SEM (Scanning Electron Microscope) imaging demonstrates dissolution of relatively large isolated shell fragments but this had little effect on the overall connectivity. No calcite cement was observed at the pore throats in the unreacted specimens. The micro-CT scans indicate a modest tortuosity decrease from 2.00 to 1.85 when calcite is dissolved, but this change in tortuosity results from the opening of new flow paths as the dissolution of discrete grains opened new flow paths and created shortcuts, not from changes to the sinuosity of existing pathways. We suggest that the marked discrepancy in the effect of calcite dissolution on permeability between our experimental data and standard models arises because of the very different way in which the porosity is increased (new pathways rather than inflation). While our results cast doubt on the general applicability of standard models for porosity-permeability relationships for situations in which porosity changes by grain-specific reactions, it is encouraging that pore scale modelling is able to reproduce the experimental relationships.

Movement of Cations through Cuticles of Citrus aurantium and Acer saccharum1

PubMed Central

Tyree, Melvin T.; Tabor, Christopher A.; Wescott, Charles R.

1990-01-01

We examined some biophysical mechanisms of ion migration across leaf cuticles enzymatically isolated from Acer saccharum L. and Citrus aurantium L. leaves. Diffusion potential measurements were used to calculate the permeabilities of Cl-, Li+, Na+, and Cs+ ions all as a ratio with respect to the permeability of K+ in cuticles. In 2 millimolar ionic strength solutions the permeability sequence from high to low was K = Cs > Na > Li » Cl. When the outer and inner surfaces of cuticles were bathed in artificial precipitation and artificial apoplast, respectively, diffusion potentials ranging from −52 to −91 millivolts were measured (inside negative). The Goldman equation predicted that the measured potentials were enough to increase the driving force on the accumulation of heavy metals by a factor of 4 to 7. Other ions migrate with forces 3 to 10 times less than predicted by the Goldman equation for concentration differences alone. Our analysis showed that Ca2+, and perhaps Mg2+, might even be accumulated against concentration gradients under some circumstances. Their uptake was apparently driven by the diffusion potentials created by the outward migration of monovalent salts. We feel that future models predicting leaching of nutrients from trees during acid rain events must be modified to account for the probable influence of diffusion potentials on ion migration. PMID:16667677

A modified parallel artificial membrane permeability assay for evaluating the bioconcentration of highly hydrophobic chemicals in fish.

PubMed

Kwon, Jung-Hwan; Escher, Beate I

2008-03-01

Low cost in vitro tools are needed at the screening stage of assessment of bioaccumulation potential of new and existing chemicals because the number of chemical substances that needs to be tested highly exceeds the capacity of in vivo bioconcentration tests. Thus, the parallel artificial membrane permeability assay (PAMPA) system was modified to predict passive uptake/ elimination rate in fish. To overcome the difficulties associated with low aqueous solubility and high membrane affinity of highly hydrophobic chemicals, we measured the rate of permeation from the donor poly(dimethylsiloxane)(PDMS) disk to the acceptor PDMS disk through aqueous and PDMS membrane boundary layers and term the modified PAMPA system "PDMS-PAMPA". Twenty chemicals were selected for validation of PDMS-PAMPA. The measured permeability is proportional to the passive elimination rate constant in fish and was used to predict the "minimum" in vivo elimination rate constant. The in vivo data were very close to predicted values except for a few polar chemicals and metabolically active chemicals, such as pyrene and benzo[a]pyrene. Thus, PDMS-PAMPA can be an appropriate in vitro system for nonmetabolizable chemicals. Combination with metabolic clearance rates using a battery of metabolic degradation assays would enhance the applicability for metabolizable chemicals.

The water retention curve and relative permeability for gas production from hydrate-bearing sediments: pore-network model simulation

NASA Astrophysics Data System (ADS)

Mahabadi, Nariman; Dai, Sheng; Seol, Yongkoo; Sup Yun, Tae; Jang, Jaewon

2016-08-01

The water retention curve and relative permeability are critical to predict gas and water production from hydrate-bearing sediments. However, values for key parameters that characterize gas and water flows during hydrate dissociation have not been identified due to experimental challenges. This study utilizes the combined techniques of micro-focus X-ray computed tomography (CT) and pore-network model simulation to identify proper values for those key parameters, such as gas entry pressure, residual water saturation, and curve fitting values. Hydrates with various saturation and morphology are realized in the pore-network that was extracted from micron-resolution CT images of sediments recovered from the hydrate deposit at the Mallik site, and then the processes of gas invasion, hydrate dissociation, gas expansion, and gas and water permeability are simulated. Results show that greater hydrate saturation in sediments lead to higher gas entry pressure, higher residual water saturation, and steeper water retention curve. An increase in hydrate saturation decreases gas permeability but has marginal effects on water permeability in sediments with uniformly distributed hydrate. Hydrate morphology has more significant impacts than hydrate saturation on relative permeability. Sediments with heterogeneously distributed hydrate tend to result in lower residual water saturation and higher gas and water permeability. In this sense, the Brooks-Corey model that uses two fitting parameters individually for gas and water permeability properly capture the effect of hydrate saturation and morphology on gas and water flows in hydrate-bearing sediments.

Current State and Future Perspectives in QSAR Models to Predict Blood- Brain Barrier Penetration in Central Nervous System Drug R&D.

PubMed

Morales, Juan F; Montoto, Sebastian Scioli; Fagiolino, Pietro; Ruiz, Maria E

2017-01-01

The Blood-Brain Barrier (BBB) is a physical and biochemical barrier that restricts the entry of certain drugs to the Central Nervous System (CNS), while allowing the passage of others. The ability to predict the permeability of a given molecule through the BBB is a key aspect in CNS drug discovery and development, since neurotherapeutic agents with molecular targets in the CNS should be able to cross the BBB, whereas peripherally acting agents should not, to minimize the risk of CNS adverse effects. In this review we examine and discuss QSAR approaches and current availability of experimental data for the construction of BBB permeability predictive models, focusing on the modeling of the biorelevant parameter unbound partitioning coefficient (Kp,uu). Emphasis is made on two possible strategies to overcome the current limitations of in silico models: considering the prediction of brain penetration as a multifactorial problem, and increasing experimental datasets through accurate and standardized experimental techniques.

Variation and correlation of hydrologic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, J.S.Y.

1991-06-01

Hydrological properties vary within a given geological formation and even more so among different soil and rock media. The variance of the saturated permeability is shown to be related to the variance of the pore-size distribution index of a given medium by a simple equation. This relationship is deduced by comparison of the data from Yucca Mountain, Nevada (Peters et al., 1984), Las Cruces, New Mexico (Wierenga et al., 1989), and Apache Leap, Arizona (Rasmussen et al., 1990). These and other studies in different soils and rocks also support the Poiseuille-Carmen relationship between the mean value of saturated permeability andmore » the mean value of capillary radius. Correlations of the mean values and variances between permeability and pore-geometry parameters can lead us to better quantification of heterogeneous flow fields and better understanding of the scaling laws of hydrological properties.« less

Controlling microtube permeability via grafted polymers and solvent quality.

PubMed

Suo, Tongchuan; Whitmore, Mark D

2014-03-21

We examine pressure-driven flow through a microtube with grafted polymers using a "doubly self-consistent field" steady-state theory. Our focus is on the structure of the polymer layer, the tube permeability, and the effects of solvent quality, for different regimes of open and closed tubes. We find that, within experimentally attainable pressure gradients, the flow has very little effect on the grafted layer. However, the polymers, and in particular variations in the solvent quality and cylinder radii, can have large effects on the flow. We find that the permeability can either increase or decrease with either the radius or solvent quality, and we identify the regimes for different behaviors in terms of general parameters that can be used to generalize to other systems. This allows us to identify regimes where the systems are most sensitive to these "tuning" parameters, and we find that they correspond to the boundaries between open and closed tubes identified earlier.

Impact of mineralization on carbon dioxide migration in term of critical value of fault permeability.

NASA Astrophysics Data System (ADS)

Alshammari, A.; Brantley, D.; Knapp, C. C.; Lakshmi, V.

2017-12-01

In this study, multi chemical components ((H2O, H2S) will be injected with supercritical carbon dioxide in onshore part of South Georgia Rift (SGR) Basin model. Chemical reaction expected issue between these components to produce stable mineral of carbonite rocks by the time. The 3D geological model has been extracted from petrel software and computer modelling group (CMG) package software has been used to build simulation model explain the effect of mineralization on fault permeability that control on plume migration critically between (0-0.05 m Darcy). The expected results will be correlated with single component case (CO2 only) to evaluate the importance the mineralization on CO2 plume migration in structure and stratigraphic traps and detect the variation of fault leakage in case of critical values (low permeability). The results will also, show us the ratio of every trapped phase in (SGR) basin reservoir model.

A Novel Application of Ultrasonic Imaging to Study Smoldering Combustion

NASA Technical Reports Server (NTRS)

Tse, S. D.; Anthenien, R. A.; Fernandez-Pello, A. Carlos; Miyasaka, K.

1997-01-01

An ultrasonic imaging technique has been developed to examine the propagation of a smolder reaction within a porous combustible material. The technique provides information about the location of a propagating smolder front, as well as line-of-sight average permeability variations of the smoldering material. The method utilizes the observation that transmission of an ultrasonic signal through a porous material increases with permeability. Since a propagating smolder reaction leaves behind char with a higher permeability than the original material, ultrasound transmission can be employed to monitor smolder progress. The technique can also be used to track the char evolution as it continues to react. Experiments are presented where the technique is applied to smoldering combustion in a two-dimensional geometry. The results have furthered the understanding of two-dimensional smolder, especially in identifying the controlling mechanisms leading to the transition from smoldering to flaming. The applicability of ultrasonic tomography to smoldering combustion has also been investigated.

Closed-form analytical solutions incorporating pumping and tidal effects in various coastal aquifer systems

NASA Astrophysics Data System (ADS)

Wang, Chaoyue; Li, Hailong; Wan, Li; Wang, Xusheng; Jiang, Xiaowei

2014-07-01

Pumping wells are common in coastal aquifers affected by tides. Here we present analytical solutions of groundwater table or head variations during a constant rate pumping from a single, fully-penetrating well in coastal aquifer systems comprising an unconfined aquifer, a confined aquifer and semi-permeable layer between them. The unconfined aquifer terminates at the coastline (or river bank) and the other two layers extend under tidal water (sea or tidal river) for a certain distance L. Analytical solutions are derived for 11 reasonable combinations of different situations of the L-value (zero, finite, and infinite), of the middle layer's permeability (semi-permeable and impermeable), of the boundary condition at the aquifer's submarine terminal (Dirichlet describing direct connection with seawater and no-flow describing the existence of an impermeable capping), and of the tidal water body (sea and tidal river). Solutions are discussed with application examples in fitting field observations and parameter estimations.

Experimental techniques and computational methods toward the estimation of the effective two-phase flow coefficients and multi-scale heterogeneities of soils

NASA Astrophysics Data System (ADS)

Tsakiroglou, C. D.; Aggelopoulos, C. A.; Sygouni, V.

2009-04-01

A hierarchical, network-type, dynamic simulator of the immiscible displacement of water by oil in heterogeneous porous media is developed to simulate the rate-controlled displacement of two fluids at the soil column scale. A cubic network is constructed, where each node is assigned a permeability which is chosen randomly from a distribution function. The intensity of heterogeneities is quantified by the width of the permeability distribution function. The capillary pressure at each node is calculated by combining a generalized Leverett J-function with a Corey type model. Information about the heterogeneity of soils at the pore network scale is obtained by combining mercury intrusion porosimetry (MIP) data with back-scattered scanning electron microscope (BSEM) images [1]. In order to estimate the two-phase flow properties of nodes (relative permeability and capillary pressure functions, permeability distribution function) immiscible and miscible displacement experiments are performed on undisturbed soil columns. The transient responses of measured variables (pressure drop, fluid saturation averaged over five successive segments, solute concentration averaged over three cross-sections) are fitted with models accounting for the preferential flow paths at the micro- (multi-region model) and macro-scale (multi flowpath model) because of multi-scale heterogeneities [2,3]. Simulating the immiscible displacement of water by oil (drainage) in a large netork, at each time step, the fluid saturation and pressure of each node are calculated formulating mass balances at each node, accounting for capillary, viscous and gravity forces, and solving the system of coupled equations. At each iteration of the algorithm, the pressure drop is so selected that the total flow rate of the injected fluid is kept constant. The dynamic large-scale network simulator is used (1) to examine the sensitivity of the transient responses of the axial distribution of fluid saturation and total pressure drop across the network to the permeability distribution function, spatial correlations of permeability, and capillary number, and (2) to estimate the effective (up-scaled) relative permeability functions at the soil column scale. In an attempt to clarify potential effects of the permeability distribution and spatial permeability correlations on the transient responses of the pressure drop across a soil column, signal analysis with wavelets is performed [4] on experimental and simulated results. The transient variation of signal energy and frequency of pressure drop fluctuations at the wavelet domain are correlated with macroscopic properties such as the effective water and oil relative permeabilities of the porous medium, and microscopic properties such as the variation of the permeability distribution of oil-occupied nodes. Toward the solution of the inverse problem, a general procedure is suggested to identify macro-heterogeneities from the fast analysis of pressure drop signals. References 1. Tsakiroglou, C.D. and M.A. Ioannidis, "Dual porosity modeling of the pore structure and transport properties of a contaminated soil", Eur. J. Soil Sci., 59, 744-761 (2008). 2. Aggelopoulos, C.A., and C.D. Tsakiroglou, "Quantifying the Soil Heterogeneity from Solute Dispersion Experiments", Geoderma, 146, 412-424 (2008). 3. Aggelopoulos, C.A., and C.D. Tsakiroglou, "A multi-flow path approach to model immiscible displacement in undisturbed heterogeneous soil columns", J. Contam. Hydrol., in press (2009). 4. Sygouni, V., C.D. Tsakiroglou, and A.C. Payatakes, "Using wavelets to characterize the wettability of porous materials", Phys. Rev. E, 76, 056304 (2007).

Towards a better prediction of peak concentration, volume of distribution and half-life after oral drug administration in man, using allometry.

PubMed

Sinha, Vikash K; Vaarties, Karin; De Buck, Stefan S; Fenu, Luca A; Nijsen, Marjoleen; Gilissen, Ron A H J; Sanderson, Wendy; Van Uytsel, Kelly; Hoeben, Eva; Van Peer, Achiel; Mackie, Claire E; Smit, Johan W

2011-05-01

It is imperative that new drugs demonstrate adequate pharmacokinetic properties, allowing an optimal safety margin and convenient dosing regimens in clinical practice, which then lead to better patient compliance. Such pharmacokinetic properties include suitable peak (maximum) plasma drug concentration (C(max)), area under the plasma concentration-time curve (AUC) and a suitable half-life (t(½)). The C(max) and t(½) following oral drug administration are functions of the oral clearance (CL/F) and apparent volume of distribution during the terminal phase by the oral route (V(z)/F), each of which may be predicted and combined to estimate C(max) and t(½). Allometric scaling is a widely used methodology in the pharmaceutical industry to predict human pharmacokinetic parameters such as clearance and volume of distribution. In our previous published work, we have evaluated the use of allometry for prediction of CL/F and AUC. In this paper we describe the evaluation of different allometric scaling approaches for the prediction of C(max), V(z)/F and t(½) after oral drug administration in man. Twenty-nine compounds developed at Janssen Research and Development (a division of Janssen Pharmaceutica NV), covering a wide range of physicochemical and pharmacokinetic properties, were selected. The C(max) following oral dosing of a compound was predicted using (i) simple allometry alone; (ii) simple allometry along with correction factors such as plasma protein binding (PPB), maximum life-span potential or brain weight (reverse rule of exponents, unbound C(max) approach); and (iii) an indirect approach using allometrically predicted CL/F and V(z)/F and absorption rate constant (k(a)). The k(a) was estimated from (i) in vivo pharmacokinetic experiments in preclinical species; and (ii) predicted effective permeability in man (P(eff)), using a Caco-2 permeability assay. The V(z)/F was predicted using allometric scaling with or without PPB correction. The t(½) was estimated from the allometrically predicted parameters CL/F and V(z)/F. Predictions were deemed adequate when errors were within a 2-fold range. C(max) and t(½) could be predicted within a 2-fold error range for 59% and 66% of the tested compounds, respectively, using allometrically predicted CL/F and V(z)/F. The best predictions for C(max) were obtained when k(a) values were calculated from the Caco-2 permeability assay. The V(z)/F was predicted within a 2-fold error range for 72% of compounds when PPB correction was applied as the correction factor for scaling. We conclude that (i) C(max) and t(½) are best predicted by indirect scaling approaches (using allometrically predicted CL/F and V(z)/F and accounting for k(a) derived from permeability assay); and (ii) the PPB is an important correction factor for the prediction of V(z)/F by using allometric scaling. Furthermore, additional work is warranted to understand the mechanisms governing the processes underlying determination of C(max) so that the empirical approaches can be fine-tuned further.

Acoustic cavitation-based monitoring of the reversibility and permeability of ultrasound-induced blood-brain barrier opening

NASA Astrophysics Data System (ADS)

Sun, Tao; Samiotaki, Gesthimani; Wang, Shutao; Acosta, Camilo; Chen, Cherry C.; Konofagou, Elisa E.

2015-12-01

Cavitation events seeded by microbubbles have been previously reported to be associated with MR- or fluorescent-contrast enhancement after focused ultrasound (FUS)-induced blood-brain barrier (BBB) opening. However, it is still unknown whether bubble activity can be correlated with the reversibility (the duration of opening and the likelihood of safe reinstatement) and the permeability of opened BBB, which is critical for the clinical translation of using passive cavitation detection to monitor, predict and control the opening. In this study, the dependence of acoustic cavitation on the BBB opening duration, permeability coefficient and histological damage occurrence were thus investigated. Transcranial pulsed FUS at 1.5 MHz in the presence of systemically circulating microbubbles was applied in the mouse hippocampi (n  =  60). The stable and inertial cavitation activities were monitored during sonication. Contrast-enhanced MRI was performed immediately after sonication and every 24 h up to 6 d thereafter, to assess BBB opening, brain tissue permeability and potential edema. Histological evaluations were used to assess the occurrence of neurovascular damages. It was found that stable cavitation was well correlated with: (1) the duration of the BBB opening (r2  =  0.77) (2) the permeability of the opened BBB (r2  =  0.82) (3) the likelihood of safe opening (P  <  0.05, safe opening compared to cases of damage; P  <  0.0001, no opening compared to safe opening). The inertial cavitation dose was correlated with the resulting BBB permeability (r2  =  0.72). Stable cavitation was found to be more reliable than inertial cavitation at assessing the BBB opening within the pressure range used in this study. This study demonstrates that the stable cavitation response during BBB opening holds promise for predicting and controlling the restoration and pharmacokinetics of FUS-opened BBB. The stable cavitation response therefore showed great promise in predicting the BBB opening duration, enabling thus control of opening according to the drug circulation time. In addition, avoiding adverse effects in the brain and assessing the pharmacokinetics of the compounds delivered can also be achieved by monitoring and controlling the stable cavitation emissions.

Acoustic cavitation-based monitoring of the reversibility and permeability of ultrasound-induced blood-brain barrier opening.

PubMed

Sun, Tao; Samiotaki, Gesthimani; Wang, Shutao; Acosta, Camilo; Chen, Cherry C; Konofagou, Elisa E

2015-12-07

Cavitation events seeded by microbubbles have been previously reported to be associated with MR- or fluorescent-contrast enhancement after focused ultrasound (FUS)-induced blood-brain barrier (BBB) opening. However, it is still unknown whether bubble activity can be correlated with the reversibility (the duration of opening and the likelihood of safe reinstatement) and the permeability of opened BBB, which is critical for the clinical translation of using passive cavitation detection to monitor, predict and control the opening. In this study, the dependence of acoustic cavitation on the BBB opening duration, permeability coefficient and histological damage occurrence were thus investigated. Transcranial pulsed FUS at 1.5 MHz in the presence of systemically circulating microbubbles was applied in the mouse hippocampi (n  =  60). The stable and inertial cavitation activities were monitored during sonication. Contrast-enhanced MRI was performed immediately after sonication and every 24 h up to 6 d thereafter, to assess BBB opening, brain tissue permeability and potential edema. Histological evaluations were used to assess the occurrence of neurovascular damages. It was found that stable cavitation was well correlated with: (1) the duration of the BBB opening (r(2)  =  0.77); (2) the permeability of the opened BBB (r(2)  =  0.82); (3) the likelihood of safe opening (P  <  0.05, safe opening compared to cases of damage; P  <  0.0001, no opening compared to safe opening). The inertial cavitation dose was correlated with the resulting BBB permeability (r(2)  =  0.72). Stable cavitation was found to be more reliable than inertial cavitation at assessing the BBB opening within the pressure range used in this study. This study demonstrates that the stable cavitation response during BBB opening holds promise for predicting and controlling the restoration and pharmacokinetics of FUS-opened BBB. The stable cavitation response therefore showed great promise in predicting the BBB opening duration, enabling thus control of opening according to the drug circulation time. In addition, avoiding adverse effects in the brain and assessing the pharmacokinetics of the compounds delivered can also be achieved by monitoring and controlling the stable cavitation emissions.

Changes in permeability of the alveolar-capillary barrier in firefighters.

PubMed Central

Minty, B D; Royston, D; Jones, J G; Smith, D J; Searing, C S; Beeley, M

1985-01-01

The effect on alveolar-capillary barrier permeability of chronic exposure to a smoke produced by the partial combusion of diesel oil, paraffin, and wood was examined. An index of permeability was determined from the rate of transfer from the lung into the blood of the hydrophilic, labelled chelate 99mTc diethylene triamine penta-acetate (MW 492 dalton). The results of this test were expressed as the half time clearance of the tracer from the lung into the blood (T1/2 LB). The study was carried out at the Royal Naval Firefighting School, HMS Excellent. Permeability index was measured on seven non-smoking naval firefighting instructors who had worked at the school for periods of longer than two and a half months. Tests of airway function and carbon monoxide transfer factor were performed on four of these seven instructors. The results of the permeability index showed a T1/2 LB of 26 min +/- 5 (SEM) which differed significantly from that of normal non-smokers. By contrast all other lung function tests had values within the predicted normal range. PMID:3899161

Changes in permeability of the alveolar-capillary barrier in firefighters.

PubMed

Minty, B D; Royston, D; Jones, J G; Smith, D J; Searing, C S; Beeley, M

1985-09-01

The effect on alveolar-capillary barrier permeability of chronic exposure to a smoke produced by the partial combusion of diesel oil, paraffin, and wood was examined. An index of permeability was determined from the rate of transfer from the lung into the blood of the hydrophilic, labelled chelate 99mTc diethylene triamine penta-acetate (MW 492 dalton). The results of this test were expressed as the half time clearance of the tracer from the lung into the blood (T1/2 LB). The study was carried out at the Royal Naval Firefighting School, HMS Excellent. Permeability index was measured on seven non-smoking naval firefighting instructors who had worked at the school for periods of longer than two and a half months. Tests of airway function and carbon monoxide transfer factor were performed on four of these seven instructors. The results of the permeability index showed a T1/2 LB of 26 min +/- 5 (SEM) which differed significantly from that of normal non-smokers. By contrast all other lung function tests had values within the predicted normal range.

In vitro porcine blood-brain barrier model for permeability studies: pCEL-X software pKa(FLUX) method for aqueous boundary layer correction and detailed data analysis.

PubMed

Yusof, Siti R; Avdeef, Alex; Abbott, N Joan

2014-12-18

In vitro blood-brain barrier (BBB) models from primary brain endothelial cells can closely resemble the in vivo BBB, offering valuable models to assay BBB functions and to screen potential central nervous system drugs. We have recently developed an in vitro BBB model using primary porcine brain endothelial cells. The model shows expression of tight junction proteins and high transendothelial electrical resistance, evidence for a restrictive paracellular pathway. Validation studies using small drug-like compounds demonstrated functional uptake and efflux transporters, showing the suitability of the model to assay drug permeability. However, one limitation of in vitro model permeability measurement is the presence of the aqueous boundary layer (ABL) resulting from inefficient stirring during the permeability assay. The ABL can be a rate-limiting step in permeation, particularly for lipophilic compounds, causing underestimation of the permeability. If the ABL effect is ignored, the permeability measured in vitro will not reflect the permeability in vivo. To address the issue, we explored the combination of in vitro permeability measurement using our porcine model with the pKa(FLUX) method in pCEL-X software to correct for the ABL effect and allow a detailed analysis of in vitro (transendothelial) permeability data, Papp. Published Papp using porcine models generated by our group and other groups are also analyzed. From the Papp, intrinsic transcellular permeability (P0) is derived by simultaneous refinement using a weighted nonlinear regression, taking into account permeability through the ABL, paracellular permeability and filter restrictions on permeation. The in vitro P0 derived for 22 compounds (35 measurements) showed good correlation with P0 derived from in situ brain perfusion data (r(2)=0.61). The analysis also gave evidence for carrier-mediated uptake of naloxone, propranolol and vinblastine. The combination of the in vitro porcine model and the software analysis provides a useful tool to better predict BBB permeability in vivo and gain better mechanistic information about BBB permeation. Copyright © 2014 The Authors. Published by Elsevier B.V. All rights reserved.

Calculating the dermal flux of chemicals with OELs based on their molecular structure: An attempt to assign the skin notation.

PubMed

Kupczewska-Dobecka, Małgorzata; Jakubowski, Marek; Czerczak, Sławomir

2010-09-01

Our objectives included calculating the permeability coefficient and dermal penetration rates (flux value) for 112 chemicals with occupational exposure limits (OELs) according to the LFER (linear free-energy relationship) model developed using published methods. We also attempted to assign skin notations based on each chemical's molecular structure. There are many studies available where formulae for coefficients of permeability from saturated aqueous solutions (K(p)) have been related to physicochemical characteristics of chemicals. The LFER model is based on the solvation equation, which contains five main descriptors predicted from chemical structure: solute excess molar refractivity, dipolarity/polarisability, summation hydrogen bond acidity and basicity, and the McGowan characteristic volume. Descriptor values, available for about 5000 compounds in the Pharma Algorithms Database were used to calculate permeability coefficients. Dermal penetration rate was estimated as a ratio of permeability coefficient and concentration of chemical in saturated aqueous solution. Finally, estimated dermal penetration rates were used to assign the skin notation to chemicals. Defined critical fluxes defined from the literature were recommended as reference values for skin notation. The application of Abraham descriptors predicted from chemical structure and LFER analysis in calculation of permeability coefficients and flux values for chemicals with OELs was successful. Comparison of calculated K(p) values with data obtained earlier from other models showed that LFER predictions were comparable to those obtained by some previously published models, but the differences were much more significant for others. It seems reasonable to conclude that skin should not be characterised as a simple lipophilic barrier alone. Both lipophilic and polar pathways of permeation exist across the stratum corneum. It is feasible to predict skin notation on the basis of the LFER and other published models; from among 112 chemicals 94 (84%) should have the skin notation in the OEL list based on the LFER calculations. The skin notation had been estimated by other published models for almost 94% of the chemicals. Twenty-nine (25.8%) chemicals were identified to have significant absorption and 65 (58%) the potential for dermal toxicity. We found major differences between alternative published analytical models and their ability to determine whether particular chemicals were potentially dermotoxic. Copyright © 2010 Elsevier B.V. All rights reserved.

Gravel-Sand-Clay Mixture Model for Predictions of Permeability and Velocity of Unconsolidated Sediments

NASA Astrophysics Data System (ADS)

Konishi, C.

2014-12-01

Gravel-sand-clay mixture model is proposed particularly for unconsolidated sediments to predict permeability and velocity from volume fractions of the three components (i.e. gravel, sand, and clay). A well-known sand-clay mixture model or bimodal mixture model treats clay contents as volume fraction of the small particle and the rest of the volume is considered as that of the large particle. This simple approach has been commonly accepted and has validated by many studies before. However, a collection of laboratory measurements of permeability and grain size distribution for unconsolidated samples show an impact of presence of another large particle; i.e. only a few percent of gravel particles increases the permeability of the sample significantly. This observation cannot be explained by the bimodal mixture model and it suggests the necessity of considering the gravel-sand-clay mixture model. In the proposed model, I consider the three volume fractions of each component instead of using only the clay contents. Sand becomes either larger or smaller particles in the three component mixture model, whereas it is always the large particle in the bimodal mixture model. The total porosity of the two cases, one is the case that the sand is smaller particle and the other is the case that the sand is larger particle, can be modeled independently from sand volume fraction by the same fashion in the bimodal model. However, the two cases can co-exist in one sample; thus, the total porosity of the mixed sample is calculated by weighted average of the two cases by the volume fractions of gravel and clay. The effective porosity is distinguished from the total porosity assuming that the porosity associated with clay is zero effective porosity. In addition, effective grain size can be computed from the volume fractions and representative grain sizes for each component. Using the effective porosity and the effective grain size, the permeability is predicted by Kozeny-Carman equation. Furthermore, elastic properties are obtainable by general Hashin-Shtrikman-Walpole bounds. The predicted results by this new mixture model are qualitatively consistent with laboratory measurements and well log obtained for unconsolidated sediments. Acknowledgement: A part of this study was accomplished with a subsidy of River Environment Fund of Japan.

Performance prediction using geostatistics and window reservoir simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fontanilla, J.P.; Al-Khalawi, A.A.; Johnson, S.G.

1995-11-01

This paper is the first window model study in the northern area of a large carbonate reservoir in Saudi Arabia. It describes window reservoir simulation with geostatistics to model uneven water encroachment in the southwest producing area of the northern portion of the reservoir. In addition, this paper describes performance predictions that investigate the sweep efficiency of the current peripheral waterflood. A 50 x 50 x 549 (240 m. x 260 m. x 0.15 m. average grid block size) geological model was constructed with geostatistics software. Conditional simulation was used to obtain spatial distributions of porosity and volume of dolomite.more » Core data transforms were used to obtain horizontal and vertical permeability distributions. Simple averaging techniques were used to convert the 549-layer geological model to a 50 x 50 x 10 (240 m. x 260 m. x 8 m. average grid block size) window reservoir simulation model. Flux injectors and flux producers were assigned to the outermost grid blocks. Historical boundary flux rates were obtained from a coarsely-ridded full-field model. Pressure distribution, water cuts, GORs, and recent flowmeter data were history matched. Permeability correction factors and numerous parameter adjustments were required to obtain the final history match. The permeability correction factors were based on pressure transient permeability-thickness analyses. The prediction phase of the study evaluated the effects of infill drilling, the use of artificial lifts, workovers, horizontal wells, producing rate constraints, and tight zone development to formulate depletion strategies for the development of this area. The window model will also be used to investigate day-to-day reservoir management problems in this area.« less

Preliminary Study of Radioactive Waste Package Made of High-Strength and Ultra Low-Permeability Concrete for Geological Disposal of TRU Wastes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsuo, T.; Kawasaki, T.; Sakamoto, H.

2003-02-27

We have been developing a radioactive waste package made of high-strength and ultra low-permeability concrete (HSULPC) for geological disposal of TRU wastes, which is expected to be much more impervious to water than conventional concrete. In this study, basic data for the HSULPC regarding its the impervious character and the thermodynamics during cement hydration were obtained through water permeability measurements using cold isostatic pressing (CIP) and adiabatic concrete hydration experiments, respectively. Then, a prediction tool to find concrete package construction conditions to avoid thermal cracking was developed, which could deal with coupled calculations of cement hydration, heat transfer, stress, andmore » cracking. The developed tool was applied to HSULPC hydration on a small-scale cylindrical model to examine whether there was any effect on cracking which depended on the ratio of concrete cylinder thickness to its inner diameter. The results were compared to experiments. For concrete with a compressive strength of 200MPa, the water permeability coefficient was 4 x 10{sup 19} m/s. Dependences of activation energy and frequency factor on degree of cement hydration had a sharp peaking due to the nucleation rate-determining step, and a gradual increase region due to the diffusion rate-determining step. From analyses of the small-scale cylindrical model, dependences of the maximum principal stress on the radius were obtained. When the ratio of the concrete thickness to the heater diameter was around 1, the risk of cracking was predicted to be minimized. These numerical predictions from the developed tool were verified by experiments.« less

Permeability generation and resetting of tracers during metamorphic fluid flow: implications for advection-dispersion models

NASA Astrophysics Data System (ADS)

Cartwright, Ian

Advection-dispersion fluid flow models implicitly assume that the infiltrating fluid flows through an already fluid-saturated medium. However, whether rocks contain a fluid depends on their reaction history, and whether any initial fluid escapes. The behaviour of different rocks may be illustrated using hypothetical marble compositions. Marbles with diverse chemistries (e.g. calcite + dolomite + quartz) are relatively reactive, and will generally produce a fluid during heating. By contrast, marbles with more restricted chemistries (e.g. calcite + quartz or calcite-only) may not. If the rock is not fluid bearing when fluid infiltration commences, mineralogical reactions may produce a reaction-enhanced permeability in calcite + dolomite + quartz or calcite + quartz, but not in calcite-only marbles. The permeability production controls the pattern of mineralogical, isotopic, and geochemical resetting during fluid flow. Tracers retarded behind the mineralogical fronts will probably be reset as predicted by the advection-dispersion models; however, tracers that are expected to be reset ahead of the mineralogical fronts cannot progress beyond the permeability generating reaction. In the case of very unreactive lithologies (e.g. pure calcite marbles, cherts, and quartzites), the first reaction to affect the rocks may be a metasomatic one ahead of which there is little pervasive resetting of any tracer. Centimetre-scale layering may lead to the formation of self-perpetuating fluid channels in rocks that are not fluid saturated due to the juxtaposition of reactants. Such layered rocks may show patterns of mineralogical resetting that are not predicted by advection-dispersion models. Patterns of mineralogical and isotopic resetting in marbles from a number of terrains, for example: Chillagoe, Marulan South, Reynolds Range (Australia); Adirondack Mountains, Old Woman Mountains, Notch Peak (USA); and Stephen Cross Quarry (Canada) vary as predicted by these models.

Effects of Formation Heterogeneity in Semi-Confining Shale Layers in Enhancing Mixing and Storage of Dissolved CO2

NASA Astrophysics Data System (ADS)

Illangasekare, T. H.; Agartan Karacaer, E.; Vargas-Johnson, J.; Cihan, A.; Birkholzer, J. T.

2017-12-01

It is expected that heterogeneity of the deep geologic formation to play a key role in both trapping of supercritical CO2 and its mixing in the formation brine. In previously reported research by the authors, a set of laboratory experiments and field-scale simulations were used to show that convective mixing and diffusion controlled trapping are two important mechanisms that contribute to the dissolution trapping in multilayered systems with homogeneous low-permeability zones such as shale. However, these low-permeability layers (e.g. shale) are not always homogeneous due to their composition and texture variations in addition to the presence of faults, fractures and fissures. In this study, we investigated the potential outcomes of heterogeneity present within these semi-confining low-permeability layers in regards to mixing and storage of dissolved CO2. An intermediate-scale laboratory experiment was designed to investigate the contribution of convective mixing, diffusion controlled trapping and back diffusion to long-term storage of dissolved CO2 in multilayered formations with heterogeneous low-permeability layers. The experiment was performed using a surrogate fluid combination to represent dissolved CO2 and brine under ambient pressure and temperature conditions. After verifying the numerical model with the experimental results, different distributions of the same low-permeability materials having similar volume ratios with the experimentally studied scenario were tested numerically. The experiment and modeling results showed that connectivity of higher permeability material within the semi-confining low-permeability layers contributes to mixing through brine leakage between upper and lower aquifers, storage through diffusion, and in the long term, back diffusion of stored mass due to reversed concentration gradient.

Action of some foreign cations and anions on the chloride permeability of frog muscle

PubMed Central

Hutter, O. F.; Warner, Anne E.

1967-01-01

1. Evidence for the existence in skeletal muscle of a specific cation binding system capable of lowering the chloride permeability was obtained by testing the effect of several metal ion species upon the efflux of 36Cl from frog muscles equilibrated in high-KCl solution. 2. Cu2+, Zn2+ and UO22+ ions, when present in concentrations of approximately 10-4 M in inactive wash solution at pH 7·4 slowed the efflux of 36Cl to half its original value. At pH 5·0, when the chloride permeability was already low as a consequence of hydrogen ion binding, these metal ions had little further effect. 3. Presence of Ni2+, Co2+, Pb2+, Ce3+ and La3+ in 10-4 M or higher concentrations had no detectable influence on the 36Cl efflux. Wide variations in Ca2+ concentration were similarly ineffective. 4. The influence of more adsorbable anions on the chloride permeability was examined at different pH values. Extracellular iodide greatly slowed the rapid efflux of 36Cl into alkaline solution. In acid solutions, when the chloride permeability was already low, the effect of iodide was less pronounced, but still demonstrable. The chloride permeability was consequently increased to a lesser extent by a rise in pH in the presence of iodide. 5. The efflux of iodide and bromide was measured at different pH values under conditions of self exchange. In alkaline solution the permeabilities to iodide and bromide were considerably lower than that to chloride. In acid solution the membrane differentiated less between anion species of different adsorbability. PMID:6040156

A 3D Model for Gas Transfer, Storage and Resulting Displacement in a Permeable Volcanic Edifice

NASA Astrophysics Data System (ADS)

Collinson, Amy; Neuberg, Jurgen

2014-05-01

The total volume of gas in a magma, dissolved and subsequently exsolved, greatly influences the degree of explosiveness of a volcanic system. There is a marked contrast between the behaviour of a volcano in an open system compared to one which is closed. Whilst gas release is evident from surface gas emission measurements, gas storage is also thought to play an important role, as evidenced by large gas emissions after some large dome collapse events, suggesting gas may be stored in large volumes at shallow depths within the dome and edifice. Consequently, it is essential to understand degassing, to appreciate how much gas may be stored and where, and under what conditions it may be transferred or emitted to the atmosphere. We use previous experimental data on permeabilities to create 3D numerical models to investigate gas transport and storage in a permeable volcanic edifice. We combine the continuity equation, Darcy's law and the ideal gas law to derive a partial differential equation which is solved using a finite element method to obtain the gas pressure. The associated pressure gradient is then used within Darcy's law to calculate the gas velocity. In addition, we use the momentum equation to investigate how the presence of gas and variations in permeability influence the rate and degree of deformation in the volcanic edifice. Hence this provides two important surface constraints: gas emissions and surface displacement. Geometries are created to simulate the topography of actual volcanoes and the pressure and permeabilities incorporated into the model as boundary and domain conditions, respectively. This method is applied to investigate a variety of volcanological phenomena affecting gas, for example regions of high permeability due to fractures, or low permeability due to sealing.

Permeability Evolution of Propped Artificial Fractures in Green River Shale

NASA Astrophysics Data System (ADS)

Li, Xiang; Feng, Zijun; Han, Gang; Elsworth, Derek; Marone, Chris; Saffer, Demian; Cheon, Dae-Sung

2017-06-01

This paper compares the evolution of permeability with effective stress in propped fractures in shale for native CH4 compared with that for sorbing CO2, slightly sorbing N2 and non-sorbing He. We examine the response for laboratory experiments on artificial propped fractures in Green River Shale to explore mechanisms of proppant embedment and fracture diagenesis. Split cylindrical specimens sandwich a proppant bead-pack at a constant confining stress of 20 MPa and with varied pore pressure. Permeability and sorption characteristics are measured with the pulse transient method. To explore the effect of swelling and embedment on fracture surface geometry, we measure the evolution of conductivity characteristics for different proppant geometries (single layer vs. multilayer), gas saturation and specimen variation in order to simulate both production and enhanced gas recovery. The resulting morphology of embedment is measured by white light interferometry and characterized via surface roughness parameter of mean, maximum and root-mean-square amplitudes. For both strongly (CO2, CH4) and slightly adsorptive gases (N2), the permeability first decreases with an increase in gas pressure due to swelling before effective stress effects dominate above the Langmuir pressure threshold. CO2 with its highest adsorption affinity produces the lowest permeability among these three gas permeants. Monolayer propped specimens show maximum swelling and lowered k/k 0 ratio and increased embedment recorded in the surface roughness relative to the multilayered specimens. Permeabilities measured for both injection and depletion cycles generally overlap and are repeatable with little hysteresis. This suggests the dominant role of reversible swelling over irreversible embedment. Gas permeant composition and related swelling have an important effect on the permeability evolution of shales.

Hierarchical multi-taxa models inform riparian vs. hydrologic restoration of urban streams in a permeable landscape.

PubMed

Gwinn, Daniel C; Middleton, Jen A; Beesley, Leah; Close, Paul; Quinton, Belinda; Storer, Tim; Davies, Peter M

2018-03-01

The degradation of streams caused by urbanization tends to follow predictable patterns; however, there is a growing appreciation for heterogeneity in stream response to urbanization due to the local geoclimatic context. Furthermore, there is building evidence that streams in mildly sloped, permeable landscapes respond uncharacteristically to urban stress calling for a more nuanced approach to restoration. We evaluated the relative influence of local-scale riparian characteristics and catchment-scale imperviousness on the macroinvertebrate assemblages of streams in the flat, permeable urban landscape of Perth, Western Australia. Using a hierarchical multi-taxa model, we predicted the outcomes of stylized stream restoration strategies to increase the riparian integrity at the local scale or decrease the influences of imperviousness at the catchment scale. In the urban streams of Perth, we show that local-scale riparian restoration can influence the structure of macroinvertebrate assemblages to a greater degree than managing the influences of catchment-scale imperviousness. We also observed an interaction between the effect of riparian integrity and imperviousness such that the effect of increased riparian integrity was enhanced at lower levels of catchment imperviousness. This study represents one of few conducted in flat, permeable landscapes and the first aimed at informing urban stream restoration in Perth, adding to the growing appreciation for heterogeneity of the Urban Stream Syndrome and its importance for urban stream restoration. © 2017 by the Ecological Society of America.

Physically based model for extracting dual permeability parameters using non-Newtonian fluids

NASA Astrophysics Data System (ADS)

Abou Najm, M. R.; Basset, C.; Stewart, R. D.; Hauswirth, S.

2017-12-01

Dual permeability models are effective for the assessment of flow and transport in structured soils with two dominant structures. The major challenge to those models remains in the ability to determine appropriate and unique parameters through affordable, simple, and non-destructive methods. This study investigates the use of water and a non-Newtonian fluid in saturated flow experiments to derive physically-based parameters required for improved flow predictions using dual permeability models. We assess the ability of these two fluids to accurately estimate the representative pore sizes in dual-domain soils, by determining the effective pore sizes of macropores and micropores. We developed two sub-models that solve for the effective macropore size assuming either cylindrical (e.g., biological pores) or planar (e.g., shrinkage cracks and fissures) pore geometries, with the micropores assumed to be represented by a single effective radius. Furthermore, the model solves for the percent contribution to flow (wi) corresponding to the representative macro and micro pores. A user-friendly solver was developed to numerically solve the system of equations, given that relevant non-Newtonian viscosity models lack forms conducive to analytical integration. The proposed dual-permeability model is a unique attempt to derive physically based parameters capable of measuring dual hydraulic conductivities, and therefore may be useful in reducing parameter uncertainty and improving hydrologic model predictions.

Drug-like properties and the causes of poor solubility and poor permeability.

PubMed

Lipinski, C A

2000-01-01

There are currently about 10000 drug-like compounds. These are sparsely, rather than uniformly, distributed through chemistry space. True diversity does not exist in experimental combinatorial chemistry screening libraries. Absorption, distribution, metabolism, and excretion (ADME) and chemical reactivity-related toxicity is low, while biological receptor activity is higher dimensional in chemistry space, and this is partly explainable by evolutionary pressures on ADME to deal with endobiotics and exobiotics. ADME is hard to predict for large data sets because current ADME experimental screens are multi-mechanisms, and predictions get worse as more data accumulates. Currently, screening for biological receptor activity precedes or is concurrent with screening for properties related to "drugability." In the future, "drugability" screening may precede biological receptor activity screening. The level of permeability or solubility needed for oral absorption is related to potency. The relative importance of poor solubility and poor permeability towards the problem of poor oral absorption depends on the research approach used for lead generation. A "rational drug design" approach as exemplified by Merck advanced clinical candidates leads to time-dependent higher molecular weight, higher H-bonding properties, unchanged lipophilicity, and, hence, poorer permeability. A high throughput screening (HTS)-based approach as exemplified by unpublished data on Pfizer (Groton, CT) early candidates leads to higher molecular weight, unchanged H-bonding properties, higher lipophilicity, and, hence, poorer aqueous solubility.

Prediction of blood-brain barrier permeation of α-adrenergic and imidazoline receptor ligands using PAMPA technique and quantitative-structure permeability relationship analysis.

PubMed

Vucicevic, Jelica; Nikolic, Katarina; Dobričić, Vladimir; Agbaba, Danica

2015-02-20

Imidazoline receptor ligands are a numerous family of biologically active compounds known to produce central hypotensive effect by interaction with both α2-adrenoreceptors (α2-AR) and imidazoline receptors (IRs). Recent hypotheses connect those ligands with several neurological disorders. Therefore some IRs ligands are examined as novel centrally acting antihypertensives and drug candidates for treatment of various neurological diseases. Effective Blood-Brain Barrier (BBB) permeability (P(e)) of 18 IRs/α-ARs ligands and 22 Central Nervous System (CNS) drugs was experimentally determined using Parallel Artificial Membrane Permeability Assay (PAMPA) and studied by the Quantitative-Structure-Permeability Relationship (QSPR) methodology. The dominant molecules/cations species of compounds have been calculated at pH = 7.4. The analyzed ligands were optimized using Density Functional Theory (B3LYP/6-31G(d,p)) included in ChemBio3D Ultra 13.0 program and molecule descriptors for optimized compounds were calculated using ChemBio3D Ultra 13.0, Dragon 6.0 and ADMET predictor 6.5 software. Effective permeability of compounds was used as dependent variable (Y), while calculated molecular parametres were used as independent variables (X) in the QSPR study. SIMCA P+ 12.0 was used for Partial Least Square (PLS) analysis, while the stepwise Multiple Linear Regression (MLR) and Artificial Neural Networks (ANN) modeling were performed using STASTICA Neural Networks 4.0. Predictive potential of the formed models was confirmed by Leave-One-Out Cross- and external-validation and the most reliable models were selected. The descriptors that are important for model building are identified as well as their influence on BBB permeability. Results of the QSPR studies could be used as time and cost efficient screening tools for evaluation of BBB permeation of novel α-adrenergic/imidazoline receptor ligands, as promising drug candidates for treatment of hypertension or neurological diseases. Copyright © 2014 Elsevier B.V. All rights reserved.

The Distribution of Charged Amino Acid Residues and the Ca2+ Permeability of Nicotinic Acetylcholine Receptors: A Predictive Model.

PubMed

Fucile, Sergio

2017-01-01

Nicotinic acetylcholine receptors (nAChRs) are cation-selective ligand-gated ion channels exhibiting variable Ca 2+ permeability depending on their subunit composition. The Ca 2+ permeability is a crucial functional parameter to understand the physiological role of nAChRs, in particular considering their ability to modulate Ca 2+ -dependent processes such as neurotransmitter release. The rings of extracellular and intracellular charged amino acid residues adjacent to the pore-lining TM2 transmembrane segment have been shown to play a key role in the cation selectivity of these receptor channels, but to date a quantitative relationship between these structural determinants and the Ca 2+ permeability of nAChRs is lacking. In the last years the Ca 2+ permeability of several nAChR subtypes has been experimentally evaluated, in terms of fractional Ca 2+ current ( Pf , i.e., the percentage of the total current carried by Ca 2+ ions). In the present study, the available Pf -values of nAChRs are used to build a simplified modular model describing the contribution of the charged residues in defined regions flanking TM2 to the selectivity filter controlling Ca 2+ influx. This model allows to predict the currently unknown Pf -values of existing nAChRs, as well as the hypothetical Ca 2+ permeability of subunit combinations not able to assemble into functional receptors. In particular, basing on the amino acid sequences, a Pf > 50% would be associated with homomeric nAChRs composed by different α subunits, excluding α7, α9, and α10. Furthermore, according to the model, human α7β2 receptors should have Pf -values ranging from 3.6% (4:1 ratio) to 0.1% (1:4 ratio), much lower than the 11.4% of homomeric α7 nAChR. These results help to understand the evolution and the function of the large diversity of the nicotinic receptor family.

Mimicking brain tissue binding in an in vitro model of the blood-brain barrier illustrates differences between in vitro and in vivo methods for assessing the rate of brain penetration.

PubMed

Heymans, Marjolein; Sevin, Emmanuel; Gosselet, Fabien; Lundquist, Stefan; Culot, Maxime

2018-06-01

Assessing the rate of drug delivery to the central nervous system (CNS) in vitro has been used for decades to predict whether CNS drug candidates are likely to attain their pharmacological targets, located within the brain parenchyma, at an effective dose. The predictive value of in vitro blood-brain barrier (BBB) models is therefore frequently assessed by comparing in vitro BBB permeability, usually quoted as the endothelial permeability coefficient (P e ) or apparent permeability (P app ), to their rate of BBB permeation measured in vivo, the latter being commonly assessed in rodents. In collaboration with AstraZeneca (DMPK department, Södertälje, Sweden), the in vitro BBB permeability (P app and P e ) of 27 marketed CNS drugs has been determined using a bovine in vitro BBB model and compared to their in vivo permeability (P vivo ), obtained by rat in-situ brain perfusion. The latter was taken from published data from Summerfield et al. (2007). This comparison confirmed previous reports, showing a strong in vitro/in vivo correlation for hydrophilic compounds, characterized by low brain tissue binding and a weak correlation for lipophilic compounds, characterized by high brain tissue binding. This observation can be explained by the influence of brain tissue binding on the uptake of drugs into the CNS in vivo and the absence of possible brain tissue binding in vitro. The use of glial cells (GC) in the in vitro BBB model to mimic brain tissue binding and the introduction of a new calculation method for in vitro BBB permeability (P vitro ) resulted in a strong correlation between the in vitro and in vivo rate of BBB permeation for the whole set of compounds. These findings might facilitate further in vitro to in vivo extrapolation for CNS drug candidates. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

Seasonal variability of soil-gas radon concentration in central California

USGS Publications Warehouse

King, C.-Y.; Minissale, A.

1994-01-01

Radon concentrations in soil gas were measured by the track-etch method in 60 shallow holes, each 70 cm deep and supported by a capped plastic tube, along several major faults in central California during 1975-1985. This set of data was analyzed to investigate the seasonal variability of soil-gas radon concentration in an area which has various geological conditions but similar climate. The results show several different patterns of seasonal variations, but all of which can be largely attributed to the water-saturation and moisture-retention characteristics of the shallow part of the soil. During the rainy winter and spring seasons, radon tended to be confined underground by the water-saturated surface soil which had much reduced gas permeability, while during the sunny summer and autumn seasons, it exhaled more readily as the soil became drier and more permeable. At several sites located on creeping faults, the radon-variation patterns changed with time, possibly because of disturbance of site condition by fault movement. ?? 1994.

Determination of Matric Suction and Saturation Degree for Unsaturated Soils, Comparative Study - Numerical Method versus Analytical Method

NASA Astrophysics Data System (ADS)

Chiorean, Vasile-Florin

2017-10-01

Matric suction is a soil parameter which influences the behaviour of unsaturated soils in both terms of shear strength and permeability. It is a necessary aspect to know the variation of matric suction in unsaturated soil zone for solving geotechnical issues like unsaturated soil slopes stability or bearing capacity for unsaturated foundation ground. Mathematical expression of the dependency between soil moisture content and it’s matric suction (soil water characteristic curve) has a powerful character of nonlinearity. This paper presents two methods to determine the variation of matric suction along the depth included between groundwater level and soil level. First method is an analytical approach to emphasize one direction steady state unsaturated infiltration phenomenon that occurs between the groundwater level and the soil level. There were simulated three different situations in terms of border conditions: precipitations (inflow conditions on ground surface), evaporation (outflow conditions on ground surface), and perfect equilibrium (no flow on ground surface). Numerical method is finite element method used for steady state, two-dimensional, unsaturated infiltration calculus. Regarding boundary conditions there were simulated identical situations as in analytical approach. For both methods, was adopted the equation proposed by van Genuchten-Mualen (1980) for mathematical expression of soil water characteristic curve. Also for the unsaturated soil permeability prediction model was adopted the equation proposed by van Genuchten-Mualen. The fitting parameters of these models were adopted according to RETC 6.02 software in function of soil type. The analyses were performed in both methods for three major soil types: clay, silt and sand. For each soil type were concluded analyses for three situations in terms of border conditions applied on soil surface: inflow, outflow, and no flow. The obtained results are presented in order to highlight the differences/similarities between the methods and the advantages / disadvantages of each one.

Permeability of three-dimensional rock masses containing geomechanically-grown anisotropic fracture networks

NASA Astrophysics Data System (ADS)

Thomas, R. N.; Ebigbo, A.; Paluszny, A.; Zimmerman, R. W.

2016-12-01

The macroscopic permeability of 3D anisotropic geomechanically-generated fractured rock masses is investigated. The explicitly computed permeabilities are compared to the predictions of classical inclusion-based effective medium theories, and to the permeability of networks of randomly oriented and stochastically generated fractures. Stochastically generated fracture networks lack features that arise from fracture interaction, such as non-planarity, and termination of fractures upon intersection. Recent discrete fracture network studies include heuristic rules that introduce these features to some extent. In this work, fractures grow and extend under tension from a finite set of initial flaws. The finite element method is used to compute displacements, and modal stress intensity factors are computed around each fracture tip using the interaction integral accumulated over a set of virtual discs. Fracture apertures emerge as a result of simulations that honour the constraints of stress equilibrium and mass conservation. The macroscopic permeabilities are explicitly calculated by solving the local cubic law in the fractures, on an element-by-element basis, coupled to Darcy's law in the matrix. The permeabilities are then compared to the estimates given by the symmetric and asymmetric versions of the self-consistent approximation, which, for randomly fractured volumes, were previously demonstrated to be most accurate of the inclusion-based effective medium methods (Ebigbo et al., Transport in Porous Media, 2016). The permeabilities of several dozen geomechanical networks are computed as a function of density and in situ stresses. For anisotropic networks, we find that the asymmetric and symmetric self-consistent methods overestimate the effective permeability in the direction of the dominant fracture set. Effective permeabilities that are more strongly dependent on the connectivity of two or more fracture sets are more accurately captured by the effective medium models.

Aneurysm permeability following coil embolization: packing density and coil distribution

PubMed Central

Chueh, Ju-Yu; Vedantham, Srinivasan; Wakhloo, Ajay K; Carniato, Sarena L; Puri, Ajit S; Bzura, Conrad; Coffin, Spencer; Bogdanov, Alexei A; Gounis, Matthew J

2015-01-01

Background Rates of durable aneurysm occlusion following coil embolization vary widely, and a better understanding of coil mass mechanics is desired. The goal of this study is to evaluate the impact of packing density and coil uniformity on aneurysm permeability. Methods Aneurysm models were coiled using either Guglielmi detachable coils or Target coils. The permeability was assessed by taking the ratio of microspheres passing through the coil mass to those in the working fluid. Aneurysms containing coil masses were sectioned for image analysis to determine surface area fraction and coil uniformity. Results All aneurysms were coiled to a packing density of at least 27%. Packing density, surface area fraction of the dome and neck, and uniformity of the dome were significantly correlated (p<0.05). Hence, multivariate principal components-based partial least squares regression models were used to predict permeability. Similar loading vectors were obtained for packing and uniformity measures. Coil mass permeability was modeled better with the inclusion of packing and uniformity measures of the dome (r2=0.73) than with packing density alone (r2=0.45). The analysis indicates the importance of including a uniformity measure for coil distribution in the dome along with packing measures. Conclusions A densely packed aneurysm with a high degree of coil mass uniformity will reduce permeability. PMID:25031179

Multiparameter Analysis of Gas Transport Phenomena in Shale Gas Reservoirs: Apparent Permeability Characterization.

PubMed

Shen, Yinghao; Pang, Yu; Shen, Ziqi; Tian, Yuanyuan; Ge, Hongkui

2018-02-08

The large amount of nanoscale pores in shale results in the inability to apply Darcy's law. Moreover, the gas adsorption of shale increases the complexity of pore size characterization and thus decreases the accuracy of flow regime estimation. In this study, an apparent permeability model, which describes the adsorptive gas flow behavior in shale by considering the effects of gas adsorption, stress dependence, and non-Darcy flow, is proposed. The pore size distribution, methane adsorption capacity, pore compressibility, and matrix permeability of the Barnett and Eagle Ford shales are measured in the laboratory to determine the critical parameters of gas transport phenomena. The slip coefficients, tortuosity, and surface diffusivity are predicted via the regression analysis of the permeability data. The results indicate that the apparent permeability model, which considers second-order gas slippage, Knudsen diffusion, and surface diffusion, could describe the gas flow behavior in the transition flow regime for nanoporous shale. Second-order gas slippage and surface diffusion play key roles in the gas flow in nanopores for Knudsen numbers ranging from 0.18 to 0.5. Therefore, the gas adsorption and non-Darcy flow effects, which involve gas slippage, Knudsen diffusion, and surface diffusion, are indispensable parameters of the permeability model for shale.

Identification of small-scale low and high permeability layers using single well forced-gradient tracer tests: fluorescent dye imaging and modelling at the laboratory-scale.

PubMed

Barns, Gareth L; Thornton, Steven F; Wilson, Ryan D

2015-01-01

Heterogeneity in aquifer permeability, which creates paths of varying mass flux and spatially complex contaminant plumes, can complicate the interpretation of contaminant fate and transport in groundwater. Identifying the location of high mass flux paths is critical for the reliable estimation of solute transport parameters and design of groundwater remediation schemes. Dipole flow tracer tests (DFTTs) and push-pull tests (PPTs) are single well forced-gradient tests which have been used at field-scale to estimate aquifer hydraulic and transport properties. In this study, the potential for PPTs and DFTTs to resolve the location of layered high- and low-permeability layers in granular porous media was investigated with a pseudo 2-D bench-scale aquifer model. Finite element fate and transport modelling was also undertaken to identify appropriate set-ups for in situ tests to determine the type, magnitude, location and extent of such layered permeability contrasts at the field-scale. The characteristics of flow patterns created during experiments were evaluated using fluorescent dye imaging and compared with the breakthrough behaviour of an inorganic conservative tracer. The experimental results show that tracer breakthrough during PPTs is not sensitive to minor permeability contrasts for conditions where there is no hydraulic gradient. In contrast, DFTTs are sensitive to the type and location of permeability contrasts in the host media and could potentially be used to establish the presence and location of high or low mass flux paths. Numerical modelling shows that the tracer peak breakthrough time and concentration in a DFTT is sensitive to the magnitude of the permeability contrast (defined as the permeability of the layer over the permeability of the bulk media) between values of 0.01-20. DFTTs are shown to be more sensitive to deducing variations in the contrast, location and size of aquifer layered permeability contrasts when a shorter central packer is used. However, larger packer sizes are more likely to be practical for field-scale applications, with fewer tests required to characterise a given aquifer section. The sensitivity of DFTTs to identify layered permeability contrasts was not affected by test flow rate. Copyright © 2014 Elsevier B.V. All rights reserved.

ToxiM: A Toxicity Prediction Tool for Small Molecules Developed Using Machine Learning and Chemoinformatics Approaches.

PubMed

Sharma, Ashok K; Srivastava, Gopal N; Roy, Ankita; Sharma, Vineet K

2017-01-01

The experimental methods for the prediction of molecular toxicity are tedious and time-consuming tasks. Thus, the computational approaches could be used to develop alternative methods for toxicity prediction. We have developed a tool for the prediction of molecular toxicity along with the aqueous solubility and permeability of any molecule/metabolite. Using a comprehensive and curated set of toxin molecules as a training set, the different chemical and structural based features such as descriptors and fingerprints were exploited for feature selection, optimization and development of machine learning based classification and regression models. The compositional differences in the distribution of atoms were apparent between toxins and non-toxins, and hence, the molecular features were used for the classification and regression. On 10-fold cross-validation, the descriptor-based, fingerprint-based and hybrid-based classification models showed similar accuracy (93%) and Matthews's correlation coefficient (0.84). The performances of all the three models were comparable (Matthews's correlation coefficient = 0.84-0.87) on the blind dataset. In addition, the regression-based models using descriptors as input features were also compared and evaluated on the blind dataset. Random forest based regression model for the prediction of solubility performed better ( R 2 = 0.84) than the multi-linear regression (MLR) and partial least square regression (PLSR) models, whereas, the partial least squares based regression model for the prediction of permeability (caco-2) performed better ( R 2 = 0.68) in comparison to the random forest and MLR based regression models. The performance of final classification and regression models was evaluated using the two validation datasets including the known toxins and commonly used constituents of health products, which attests to its accuracy. The ToxiM web server would be a highly useful and reliable tool for the prediction of toxicity, solubility, and permeability of small molecules.

ToxiM: A Toxicity Prediction Tool for Small Molecules Developed Using Machine Learning and Chemoinformatics Approaches

PubMed Central

Sharma, Ashok K.; Srivastava, Gopal N.; Roy, Ankita; Sharma, Vineet K.

2017-01-01

The experimental methods for the prediction of molecular toxicity are tedious and time-consuming tasks. Thus, the computational approaches could be used to develop alternative methods for toxicity prediction. We have developed a tool for the prediction of molecular toxicity along with the aqueous solubility and permeability of any molecule/metabolite. Using a comprehensive and curated set of toxin molecules as a training set, the different chemical and structural based features such as descriptors and fingerprints were exploited for feature selection, optimization and development of machine learning based classification and regression models. The compositional differences in the distribution of atoms were apparent between toxins and non-toxins, and hence, the molecular features were used for the classification and regression. On 10-fold cross-validation, the descriptor-based, fingerprint-based and hybrid-based classification models showed similar accuracy (93%) and Matthews's correlation coefficient (0.84). The performances of all the three models were comparable (Matthews's correlation coefficient = 0.84–0.87) on the blind dataset. In addition, the regression-based models using descriptors as input features were also compared and evaluated on the blind dataset. Random forest based regression model for the prediction of solubility performed better (R2 = 0.84) than the multi-linear regression (MLR) and partial least square regression (PLSR) models, whereas, the partial least squares based regression model for the prediction of permeability (caco-2) performed better (R2 = 0.68) in comparison to the random forest and MLR based regression models. The performance of final classification and regression models was evaluated using the two validation datasets including the known toxins and commonly used constituents of health products, which attests to its accuracy. The ToxiM web server would be a highly useful and reliable tool for the prediction of toxicity, solubility, and permeability of small molecules. PMID:29249969

The interaction of nifedipine with selected cyclodextrins and the subsequent solubility-permeability trade-off.

PubMed

Beig, Avital; Miller, Jonathan M; Dahan, Arik

2013-11-01

The purpose of this study was to investigate the interaction of 2-hydroxypropyl-β-cyclodextrin (HPβCD) and 2,6-dimethyl-β-cyclodextrin (DMβCD) with the lipophilic drug nifedipine and to investigate the subsequent solubility-permeability interplay. Solubility curves of nifedipine with HPβCD and DMβCD in MES buffer were evaluated using phase solubility methods. Then, the apparent permeability of nifedipine was investigated as a function of increasing HPβCD/DMβCD concentration in the hexadecane-based PAMPA model. The interaction with nifedipine was CD dependent; significantly higher stability constant was obtained for DMβCD in comparison with HPβCD. Moreover, nifedipine displays different type of interaction with these CDs; a 1:1 stoichiometric inclusion complex was apparent with HPβCD, while 1:2 stoichiometry was apparent for DMβCD. In all cases, decreased apparent intestinal permeability of nifedipine as a function of increasing CD level and nifedipine apparent solubility was obtained. A quasi-equilibrium mass transport analysis was developed to explain this solubility-permeability interplay; the model enabled excellent quantitative prediction of nifedipine's permeability as a function of CD concentrations. This work demonstrates that when using CDs in solubility-enabling formulations, a trade-off exists between solubility increase and permeability decrease that must not be overlooked. This trade-off was found to be independent of the type of CD-drug interaction. The transport model presented here can aid in striking the appropriate solubility-permeability balance in order to achieve optimal overall absorption. Copyright © 2013 Elsevier B.V. All rights reserved.

A nonlinear model for analysis of slug-test data

USGS Publications Warehouse

McElwee, C.D.; Zenner, M.A.

1998-01-01

While doing slug tests in high-permeability aquifers, we have consistently seen deviations from the expected response of linear theoretical models. Normalized curves do not coincide for various initial heads, as would be predicted by linear theories, and are shifted to larger times for higher initial heads. We have developed a general nonlinear model based on the Navier-Stokes equation, nonlinear frictional loss, non-Darcian flow, acceleration effects, radius changes in the well bore, and a Hvorslev model for the aquifer, which explains these data features. The model produces a very good fit for both oscillatory and nonoscillatory field data, using a single set of physical parameters to predict the field data for various initial displacements at a given well. This is in contrast to linear models which have a systematic lack of fit and indicate that hydraulic conductivity varies with the initial displacement. We recommend multiple slug tests with a considerable variation in initial head displacement to evaluate the possible presence of nonlinear effects. Our conclusion is that the nonlinear model presented here is an excellent tool to analyze slug tests, covering the range from the underdamped region to the overdamped region.

Dermal uptake of petroleum substances.

PubMed

Jakasa, Ivone; Kezic, Sanja; Boogaard, Peter J

2015-06-01

Petroleum products are complex substances comprising varying amounts of linear and branched alkanes, alkenes, cycloalkanes, and aromatics which may penetrate the skin at different rates. For proper interpretation of toxic hazard data, understanding their percutaneous absorption is of paramount importance. The extent and significance of dermal absorption of eight petroleum substances, representing different classes of hydrocarbons, was evaluated. Literature data on the steady-state flux and permeability coefficient of these substances were evaluated and compared to those predicted by mathematical models. Reported results spanned over 5-6 orders of magnitude and were largely dependent on experimental conditions in particular on the type of the vehicle used. In general, aromatic hydrocarbons showed higher dermal absorption than more lipophilic aliphatics with similar molecular weight. The results showed high variation and were largely influenced by experimental conditions emphasizing the need of performing the experiments under "in use" scenario. The predictive models overestimated experimental absorption. The overall conclusion is that, based on the observed percutaneous penetration data, dermal exposure to petroleum hydrocarbons, even of aromatics with highest dermal absorption is limited and highly unlikely to be associated with health risks under real use scenarios. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Canine gastrointestinal physiology: Breeds variations that can influence drug absorption.

PubMed

Oswald, Hayley; Sharkey, Michele; Pade, Devendra; Martinez, Marilyn N

2015-11-01

Although all dogs belong to Canis lupus familiaris, the physiological diversity resulting from selective breeding can lead to wide interbreed variability in drug pharmacokinetics (PK) or in oral drug product performance. It is important to understand this diversity in order to predict the impact of drug product formulation attributes on in vivo dissolution and absorption characteristics across the canine population when the dog represents the targeted patient population. Based upon published information, this review addresses breed differences in gastrointestinal (GI) physiology and discusses the in vivo implications of these differences. In addition to the importance of such information for understanding the variability that may exist in the performance of oral dosage forms in dogs for the purpose of developing canine therapeutics, an appreciation of breed differences in GI physiology can improve our prediction of oral drug formulation performance when we extrapolate bioavailability results from the dog to the humans, and vice versa. In this literature review, we examine reports of breed associated diversity in GI anatomy and morphology, gastric emptying time (GET), oro-cecal transit time (OCTT), small intestinal transit time (SITT), large intestinal transit time (LITT), intestinal permeability, sodium/potassium fecal concentrations, intestinal flora, and fecal moisture content. Published by Elsevier B.V.

Structure and osmotic pressure of ionic microgel dispersions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hedrick, Mary M.; Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108-6050; Chung, Jun Kyung

We investigate structural and thermodynamic properties of aqueous dispersions of ionic microgels—soft colloidal gel particles that exhibit unusual phase behavior. Starting from a coarse-grained model of microgel macroions as charged spheres that are permeable to microions, we perform simulations and theoretical calculations using two complementary implementations of Poisson-Boltzmann (PB) theory. Within a one-component model, based on a linear-screening approximation for effective electrostatic pair interactions, we perform molecular dynamics simulations to compute macroion-macroion radial distribution functions, static structure factors, and macroion contributions to the osmotic pressure. For the same model, using a variational approximation for the free energy, we compute bothmore » macroion and microion contributions to the osmotic pressure. Within a spherical cell model, which neglects macroion correlations, we solve the nonlinear PB equation to compute microion distributions and osmotic pressures. By comparing the one-component and cell model implementations of PB theory, we demonstrate that the linear-screening approximation is valid for moderately charged microgels. By further comparing cell model predictions with simulation data for osmotic pressure, we chart the cell model’s limits in predicting osmotic pressures of salty dispersions.« less

Labyrinthine flows across multilayer graphene-based membranes

NASA Astrophysics Data System (ADS)

Yoshida, Hiroaki

Graphene-based materials have recently found extremely wide applications for fluidic purposes thanks to remarkable developments in micro-/nano-fabrication techniques. In particular, high permeability and specific selectivity have been reported for these graphene-based membranes, such as the graphene-oxide membranes, with however controversial experimental results. There is therefore an urgent need to propose a theoretical framework of fluid transport in these architectures in order to rationalize the experimental results.In this presentation, we report a theoretical study of mass transport across multilayer graphene based membranes, which we benchmark by atomic-scale molecular dynamics. Specifically, we consider the water flow across multiple graphene layers with an inter-layer distance ranging from sub-nanometer to a few nanometers. The graphene layers have nanoslits aligned in a staggered fashion, and thus the water flows involve multiple twists and turns. We compare the continuum model predictions for the permeability with the lattice Boltzmann calculations and molecular dynamics simulations. The highlight is that, in spite of extreme confinement, the permeability across the graphene-based membrane is quantitatively predicted on the basis of a properly designed continuum model. The framework of this study constitutes a benchmark to which we compare favourably published experimental data.In addition, flow properties of a water-ethanol mixture are presented, demonstrating the possibility of a novel separation technique. While the membrane is permeable to both pure liquids, it exhibits a counter-intuitive ``self-semi-permeability'' to water in the presence of the mixture. This suggests a robust and versatile membrane-based separation method built on a pressure-driven reverse-osmosis process, which is considerably less energy consuming than distillation processes. The author acknowledges the ERC project Micromegas and the ANR projects BlueEnergy and Equip@Meso.

Assessment of blood-brain barrier penetration: in silico, in vitro and in vivo.

PubMed

Feng, Meihua Rose

2002-12-01

The amount of drug achieved and maintained in the brain after systemic administration is determined by the agent's permeability at blood-brain barrier (BBB), potential involvement of transport systems, and the distribution, metabolism and elimination properties. Passive diffusion permeability may be predicted by an in silico method based on a molecule's structure property. In vitro cell culture is another useful tool for the assessment of passive permeability and BBB transports (e.g. PGP, MRP). In situ or in vivo techniques like carotid artery single injection or perfusion, brain microdialysis, autoradiography, and others are used at various stages of drug discovery and development to estimate CNS penetration and PK/PD correlation. Each technique has its own application with specific advantages and limitations.

Permeability optimization and performance evaluation of hot aerosol filters made using foam incorporated alumina suspension.

PubMed

Innocentini, Murilo D M; Rodrigues, Vanessa P; Romano, Roberto C O; Pileggi, Rafael G; Silva, Gracinda M C; Coury, José R

2009-02-15

Porous ceramic samples were prepared from aqueous foam incorporated alumina suspension for application as hot aerosol filtering membrane. The procedure for establishment of membrane features required to maintain a desired flow condition was theoretically described and experimental work was designed to prepare ceramic membranes to meet the predicted criteria. Two best membranes, thus prepared, were selected for permeability tests up to 700 degrees C and their total and fractional collection efficiencies were experimentally evaluated. Reasonably good performance was achieved at room temperature, while at 700 degrees C, increased permeability was obtained with significant reduction in collection efficiency, which was explained by a combination of thermal expansion of the structure and changes in the gas properties.

The hydrogeology of Kilauea volcano

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ingebritsen, S.E.; Scholl, M.A.

1993-08-01

The hydrogeology of Kilauea volcano and adjacent areas has been studied since the turn of this century. However, most studies to date have focused on the relatively shallow, low-salinity parts of the ground-water system, and the deeper hydrothermal system remains poorly understood. The rift zones of adjacent Mauna Loa volcano bound the regional ground-water flow system that includes Kilauea, and the area bounded by the rift zones of Kilauea and the ocean may comprise a partly isolated subsystem. Rates of ground-water recharge vary greatly over the area, and discharge is difficult to measure, because streams are ephemeral and most ground-watermore » discharges diffusely at or below sea level. Hydrothermal systems exist at depth in Kilauea's east and southwest rift zone, as evidenced by thermal springs at the coast and wells in the lower east-rift zone. Available data suggest that dike-impounded, heated ground water occurs at relatively high elevations in the upper east- and southwest-rift zones of Kilauea, and that permeability at depth in the rift zones. Available data suggest that dike-impounded, heated ground water occurs at relatively high elevations in the upper east- and southwest-rift zones of Kilauea, and that permeability at depth in the rift zones (probably [le]10[sup [minus]15] m[sup 2]) is much lower than that of unaltered basalt flows closer to the surface ([ge]10[sup [minus]10] m[sup 2]). Substantial variations in permeability and the presence of magmatic heat sources influence that structure of the fresh water-salt water interface, so the Ghyben-Herzberg model will often fail to predict its position. Numerical modeling studies have considered only subsets of the hydrothermal system, because no existing computer code solves the coupled fluid-flow, heat- and solute-transport problem over the temperature and salinity range encountered at Kilauea. 73 refs., 7 figs., 2 tabs.« less

Permeable disks at low Reynolds numbers

NASA Astrophysics Data System (ADS)

Viola, Ignazio Maria; Cummins, Cathal; Mastropaolo, Enrico; Nakayama, Naomi

2017-11-01

The wake of a permeable disk can be rather exceptional: a toroidal vortex can form and remains stably at a fixed distance from the disk. The streamwise length of the vortex depends on the Reynolds and Darcy numbers. We investigate this fascinating flow for Reynolds numbers from 10 to 130 and Darcy numbers (Da) from 10-9 to 1. Direct numerical simulations are performed on a 2D grid with axisymmetric boundary conditions. Three flow regimes are observed: for low Da (effectively impervious), the wake is characterized by the presence of a toroidal vortex whose length is approximately equal to that of an impervious disk. For 10-6 < Da <10-3 , the increase in Da causes the vortex to shorten, and eventually vanishes at a critical Darcy number. It is demonstrated that increasing the permeability can lead to large variations in the length of the recirculating wake but with minimal effect on the drag coefficient. For higher Da (highly permeable), there is no recirculation, and an analytical expression for the drag force on the disk is derived, showing good agreement with the numerical results. This work was supported by the Leverhulme Trust [RPG-2015-255].

Variations of petrophysical properties and spectral induced polarization in response to drainage and imbibition: a study on a correlated random tube network

NASA Astrophysics Data System (ADS)

Maineult, Alexis; Jougnot, Damien; Revil, André

2018-02-01

We implement a procedure to simulate the drainage and imbibition in random, 2-D, square networks. We compute the resistivity index, the relative permeability and the characteristic lengths of a correlated network at various saturation states, under the assumption that the surface conductivity can be neglected. These parameters exhibit a hysteretic behaviour. Then, we calculate the spectral induced polarization (SIP) response of the medium, under the assumption that the electrical impedance of each tube follows a local Warburg conductivity model, with identical DC conductivity and chargeability for all the tubes. We evidence that the shape of the SIP spectra depends on the saturation state. The analysis of the evolution of the macroscopic Cole-Cole parameters of the spectra in function of the saturation also behaves hysteretically, except for the Cole-Cole exponent. We also observe a power-law relationship between the macroscopic DC conductivity and time constant and the relative permeability. We also show that the frequency peak of the phase spectra is directly related to the characteristic length and to the relative permeability, underlining the potential interest of SIP measurements for the estimation of the permeability of unsaturated media.

Real-time estimation of paracellular permeability of cerebral endothelial cells by capacitance sensor array

NASA Astrophysics Data System (ADS)

Hyun Jo, Dong; Lee, Rimi; Hyoung Kim, Jin; Oh Jun, Hyoung; Geol Lee, Tae; Hun Kim, Jeong

2015-06-01

Vascular integrity is important in maintaining homeostasis of brain microenvironments. In various brain diseases including Alzheimer’s disease, stroke, and multiple sclerosis, increased paracellular permeability due to breakdown of blood-brain barrier is linked with initiation and progression of pathological conditions. We developed a capacitance sensor array to monitor dielectric responses of cerebral endothelial cell monolayer, which could be utilized to evaluate the integrity of brain microvasculature. Our system measured real-time capacitance values which demonstrated frequency- and time-dependent variations. With the measurement of capacitance at the frequency of 100 Hz, we could differentiate the effects of vascular endothelial growth factor (VEGF), a representative permeability-inducing factor, on endothelial cells and quantitatively analyse the normalized values. Interestingly, we showed differential capacitance values according to the status of endothelial cell monolayer, confluent or sparse, evidencing that the integrity of monolayer was associated with capacitance values. Another notable feature was that we could evaluate the expression of molecules in samples in our system with the reference of real-time capacitance values. We suggest that this dielectric spectroscopy system could be successfully implanted as a novel in vitro assay in the investigation of the roles of paracellular permeability in various brain diseases.

Biophysical Characterization and Predicted Human Thermal Responses to U.S. Army Body Armor Protection Levels (BAPL)

DTIC Science & Technology

2013-09-01

for ballistic protection in the form of hard (e.g., ceramic plates ) and soft armor materials. The ultimate goal of these protective vests is to...Strain Decision Aid im Vapor permeability im/clo permeability index IOTV Interceptor Outer Tactical Vest m•s meters per second PC Plate Carrier RH...Army Body Armor Protection Levels (BAPL) 0 to 5 Level Configuration Added Weight lbs/kg BAPL 0 No body armor 0 BAPL 1 Vest or plate carrier with

The Hæmorrhagic Diathesis

PubMed Central

Tidy, H. Letheby

1928-01-01

The primary purpuras form a single clinical entity. Variations in the number of platelets can occur without the production of hæmorrhages. These variations are the result of the condition of the capillaries and are not the cause of hæmorrhages. The platelets may vary in any form of purpura, primary or secondary. The essential cause of the hæmorrhagic state is a defect or increased permeability of the capillary endothelium. Purpura is allied to urticaria, the Henoch-Schönlein type being an intermediate state. PMID:19986460

Permeability changes induced by microfissure closure and opening in tectonized materials. Effect on slope pore pressure regime.

NASA Astrophysics Data System (ADS)

De la Fuente, Maria; Vaunat, Jean; Pedone, Giuseppe; Cotecchia, Federica; Sollecito, Francesca; Casini, Francesca

2015-04-01

Tectonized clays are complex materials characterized by several levels of structures that may evolve during load and wetting/drying processes. Some microstructural patterns, as microfissures, have a particular influence on the value of permeability which is one of the main factors controlling pore pressure regime in slopes. In this work, the pore pressure regime measured in a real slope of tectonized clay in Southern Italy is analyzed by a numerical model that considers changes in permeability induced by microfissure closure and opening during the wetting and drying processes resulting from climatic actions. Permeability model accounts for the changes in Pore Size Distribution observed by Microscopy Intrusion Porosimetry. MIP tests are performed on representative samples of ground in initial conditions ("in situ" conditions) and final conditions (deformed sample after applying a wetting path that aims to reproduce the saturation of the soil under heavy rains). The resulting measurements allow for the characterization at microstructural level of the soil, identifying the distribution of dominant families pores in the sample and its evolution under external actions. Moreover, comparison of pore size density functions allows defining a microstructural parameter that depends on void ratio and degree of saturation and controls the variation of permeability. Model has been implemented in a thermo-hydro-mechanical code provided with a special boundary condition for climatic actions. Tool is used to analyze pore pressure measurements obtained in the tectonized clay slope. Results are analyzed at the light of the effect that permeability changes during wetting and drying have on the pore pressure regime.

An Integrated Tensorial Approach for Quantifying Porous, Fractured Rocks

NASA Astrophysics Data System (ADS)

Healy, David; Rizzo, Roberto; Harland, Sophie; Farrell, Natalie; Browning, John; Meredith, Phil; Mitchell, Tom; Bubeck, Alodie; Walker, Richard

2017-04-01

The patterns of fractures in deformed rocks are rarely uniform or random. Fracture orientations, sizes, shapes and spatial distributions often exhibit some kind of order. In detail, there may be relationships among the different fracture attributes e.g. small fractures dominated by one orientation, and larger fractures by another. These relationships are important because the mechanical (e.g. strength, anisotropy) and transport (e.g. fluids, heat) properties of rock depend on these fracture patterns and fracture attributes. Based on previously published work (Oda, Cowin, Sayers & Kachanov) this presentation describes an integrated tensorial approach to quantifying fracture networks and predicting the key properties of fractured rock: permeability and elasticity (and in turn, seismic velocities). Each of these properties can be represented as tensors, and these entities capture the essential 'directionality', or anisotropy of the property. In structural geology, we are familiar with using tensors for stress and strain, where these concepts incorporate volume averaging of many forces (in the case of the stress tensor), or many displacements (for the strain tensor), to produce more tractable and more computationally efficient quantities. It is conceptually attractive to formulate both the structure (the fracture network) and the structure-dependent properties (permeability, elasticity) in a consistent way with tensors of 2nd and 4th rank, as appropriate. Examples are provided to highlight the interdependence of the property tensors with the geometry of the fracture network. The fabric tensor (or orientation tensor of Scheidegger, Woodcock) describes the orientation distribution of fractures in the network. The crack tensor combines the fabric tensor (orientation distribution) with information about the fracture density and fracture size distribution. Changes to the fracture network, manifested in the values of the fabric and crack tensors, translate into changes in predicted permeability and elasticity (seismic velocity). Conversely, this implies that measured changes in any of the in situ properties or responses in the subsurface (e.g. permeability, seismic velocity) could be used to predict, or at least constrain, the fracture network. Explicitly linking the fracture network geometry to the permeability and elasticity (seismic velocity) through a tensorial formulation provides an exciting and efficient alternative to existing approaches.

Contribution of thermal infrared images on the understanding of the subsurface/atmosphere exchanges on Earth.

NASA Astrophysics Data System (ADS)

Lopez, Teodolina; Antoine, Raphaël; Baratoux, David; Rabinowicz, Michel

2017-04-01

High temporal resolution of space-based thermal infrared images (METEOSAT, MODIS) and the development of field thermal cameras have permitted the development of thermal remote sensing in Earth Sciences. Thermal images are influenced by many factors such as atmosphere, solar radiation, topography and physico-chemical properties of the surface. However, considering these limitations, we have discovered that thermal images can be used in order to better understand subsurface hydrology. In order to reduce as much as possible the impact of these perturbing factors, our approach combine 1) field observations and 2) numerical modelling of surface/subsurface thermal processes. Thermal images of the Piton de la Fournaise volcano (Réunion Island), acquired by hand, show that the Formica Leo inactive scoria cone and some fractures close to the Bory-Dolomieu caldera are always warmer, inducing a thermal difference with the surrounding of at least 5°C and a Self-Potential anomaly [1, 2]. Topography cannot explain this thermal behaviour, but Piton de la Fournaise is known as highly permeable. This fact allows the development of an air convection within the whole permeable structure volcanic edifice [2]. Cold air enters the base of the volcano, and exits warmer upslope, as the air is warmed by the geothermal flow [1,2]. Then, we have decided to understand the interaction between subsurface hydrogeological flows and the humidity in the atmosphere. In the Lake Chad basin, regions on both sides of Lake Chad present a different thermal behaviour during the diurnal cycle and between seasons [3]. We propose that this thermal behaviour can only be explained by lateral variations of the surface permeability that directly impact the process of evaporation/condensation cycle. These studies bring new highlights on the understanding of the exchanges between subsurface and the atmosphere, as the presence of a very permeable media and/or variations of the surface permeability may enhance or not the evaporation/condensation cycle. [1] Antoine et al. (2009). J. Volcanol. Geotherm. Res., 183(3-4), 228-1140. [2] Antoine et al. (2017). Geothermics, 65, 81-98. [3] Lopez et al. (2016). Surv. Geophys., 37 (2), 471-502.

The hydrogeology of Kilauea volcano

USGS Publications Warehouse

Ingebritsen, S.E.; Scholl, M.A.

1993-01-01

The hydrogeology of Kilauea volcano and adjacent areas has been studied since the turn of this century. However, most studies to date have focused on the relatively shallow, low-salinity parts of the ground-water system, and the deeper hydrothermal system remains poorly understood. The rift zones of adjacent Mauna Loa volcano bound the regional ground-water flow system that includes Kilauea, and the area bounded by the rift zones of Kilauea and the ocean may comprise a partly isolated subsystem. Rates of ground-water recharge vary greatly over the area and discharge is difficult to measure, because streams are ephemeral and most ground-water discharges diffusely at or below sea level. Hydrothermal systems exist at depth in Kilauea's cast and southwest rift zone, as evidenced by thermal springs at the coast and wells in the lower east-rift zone. Available data suggest that dike-impounded, heated ground water occurs at relatively high elevations in the upper east-and southwest-rift zones of Kilauea, and that permeability at depth in the rift zones (probably 10 10 m2). Substantial variations in permeability and the presence of magmatic heat sources influence the structure of the fresh water-salt water interface, so the Ghyben-Herzberg model will often fail to predict its position. Numerical modeling studies have considered only subsets of the hydrothermal system, because no existing computer code solves the coupled fluid-flow, heat- and solute-transport problem over the temperature and salinity range encountered at Kilauea. ?? 1993.

Use of synthetic sonic logs derived from seismic data in interpretation of stratigraphic variation in cretaceous carbonates of North field area, Qatar

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aves, H.S.; Tappmeyer, D.M.

This study uses geologic and synthetic sonic sections to evaluate the hydrocarbon potential of the Lower and middle Cretaceous Thamama Group carbonates of the Mishrif, Nahr, Umr, Shuaiba, and Kharaib Formations in the North Field, Qatar. The North field area, a regional high throughout Lower and middle Cretaceous time, is document by depositional thinning and by higher energy carbonate facies development. Oil and gas accumulations are found on the crestal portions of this paleohigh in structural/stratigraphic traps. Three factors affect the interval velocities on both a regional and local basis. These are (1) variation of carbonate facies-higher energy wackestone/packstone andmore » possibly grainstones flanked by predominantly mudstones, (2) secondary porosity developed near the top of unconformity surfaces, and (3) the existence of hydrocarbons in the reservoir. Many local lateral and vertical variations in interval velocities were noted on the synthetic sonic sections that would have otherwise been undetected, such as areas of tight or porous reservoir development, permeability barriers, and subtle faulting. In these studied formations, there are many examples of low interval velocity zones that are known to contain hydrocarbons whereas equivalent higher interval velocity zones on the seismic sections at other well site locations do not contain hydrocarbons. In many places, these variations are of sufficient magnitude to be mapped as intraformational permeability barriers. These variations were useful in explaining the occurrence of different oil-water and gas-water contacts within the same formation that could not be explained solely on structural criteria.« less

QUANTIFYING THE MICROMECHANICAL EFFECTS OF VARIABLE CEMENT IN GRANULAR POROUS MEDIA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boutt, David F; Goodwin, Laurel B

2010-03-01

The mechanical and hydrologic behavior of clastic rocks and sediments is fundamentally controlled by variables such as grain size and shape, sorting, grain and cement mineralogy, porosity, and %cement - parameters that are not used directly in field-scale models of coupled flow and deformation. To improve our understanding of the relationship between these micromechanical properties and bulk behavior we focused on (1) relating detailed, quantitative characterization of the grain-pore systems to both hydrologic and mechanical properties of a suite of variably quartz-cemented quartz arenite samples and (2) the use of a combination of discrete element method (DEM) and poroelastic modelsmore » parameterized by data from the natural samples to isolate and compare the influence of changes in the mechanical and hydrologic properties of granular porous media due to changes in degree of cementation. Quartz overgrowths, the most common form of authigenic cements in sandstones, are responsible for significant porosity and permeability reduction. The distribution of quartz overgrowths is controlled by available pore space and the crystallographic orientations of individual quartz grains. Study of the St. Peter Sandstone allowed evaluation of the relative effects of quartz cementation and compaction on final grain and pore morphology, showing that progressive quartz cementation modifies the grain framework in consistent, predictable ways. Detailed microstructural characterization and multiple regression analyses show that with progressive diagenesis, the number and length of grain contacts increases as the number of pores increases, the number of large, well-connected pores decreases, and pores become rounder. These changes cause a decrease in pore size variability that leads to a decrease in bulk permeability and both stiffening and strengthening of the grain framework. The consistent nature of these changes allows us to predict variations in hydrologic and mechanical properties with progressive diagenesis, and explore the impact of these changes on aquifer behavior. Several examples of this predictive capability are offered. In one application, data from natural sandstones are used to calibrate the proportionality constant of the Kozeny- Carman relationship, improving the ability to predict permeability in quartz-cemented quartz arenites. In another, the bond-to-grain ratio (BGR) is used to parameterize a discrete element model with data acquired from sandstone samples. The DEM results provide input to poroelastic models used to explore the hydrologic, mechanical, and coupled hydrologic and mechanical response of the sandstone to pumping stresses. This modeling exercise shows that at the macroscale, changes in mechanical and hydrologic properties directly influence the magnitude and area of aquifer deformation. The significant difference in sensitivity of the system to the mechanical properties alone versus its sensitivity to coupled mechanical and hydrologic properties demonstrates the importance of including hydrologic properties that are adjusted for changes in cementation in fluid storage and deformation studies. The large magnitude of radial deformation compared to vertical deformation in these models emphasizes the importance of considering three dimensional deformation in fluid flow and deformation studies.« less

Porometric properties of siliciclastic marine sand: A comparison of traditional laboratory measurements with image analysis and effective medium modeling

USGS Publications Warehouse

Reed, A.H.; Briggs, K.B.; Lavoie, D.L.

2002-01-01

During the 1999 sediment acoustics experiment (SAX99), porometric properties were measured and predicted for a well sorted, medium sand using standard laboratory geotechnical methods and image analysis of resin-impregnated sediments. Sediment porosity measured by laboratory water-weight-loss methods (0.372 ?? 0.0073 for mean ??1 standard deviation) is 0.026 lower than determined by microscopic image analysis of resin-impregnated sediments (0.398 ?? 0.029). Values of intrinsic permeability (m2) determined from constant-head permeameter measurements (3.29 ?? 10-11 ?? 0.60 ?? 10-11) and by microscopic image analysis coupled with effective medium theory modeling (2.78 ?? 10-11 ?? 1.01 ?? 10-11) are nearly identical within measurement error. The mean value of tortuosity factor measured from images is 1.49 ?? 0.09, which is in agreement with tortuosity factor determined from electrical resistivity measurements. Slight heterogeneity and anisotropy are apparent in the top three centimeters of sediment as determined by image-based porometric property measurements. However, the overall similarity for both measured and predicted values of porosity and permeability among and within SAX99 sites indicates sediments are primarily homogeneous and isotropic and pore size distributions are fairly uniform. The results indicate that an effective medium theory technique and two-dimensional image analysis accurately predicts bulk permeability in resin-impregnated sands.

Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: a comparative study of experiments in silico and with cells.

PubMed

de Ménorval, Marie-Amélie; Mir, Lluis M; Fernández, M Laura; Reigada, Ramon

2012-01-01

Dimethyl sulfoxide (DMSO) has been known to enhance cell membrane permeability of drugs or DNA. Molecular dynamics (MD) simulations with single-component lipid bilayers predicted the existence of three regimes of action of DMSO: membrane loosening, pore formation and bilayer collapse. We show here that these modes of action are also reproduced in the presence of cholesterol in the bilayer, and we provide a description at the atomic detail of the DMSO-mediated process of pore formation in cholesterol-containing lipid membranes. We also successfully explore the applicability of DMSO to promote plasma membrane permeability to water, calcium ions (Ca(2+)) and Yo-Pro-1 iodide (Yo-Pro-1) in living cell membranes. The experimental results on cells in culture can be easily explained according to the three expected regimes: in the presence of low doses of DMSO, the membrane of the cells exhibits undulations but no permeability increase can be detected, while at intermediate DMSO concentrations cells are permeabilized to water and calcium but not to larger molecules as Yo-Pro-1. These two behaviors can be associated to the MD-predicted consequences of the effects of the DMSO at low and intermediate DMSO concentrations. At larger DMSO concentrations, permeabilization is larger, as even Yo-Pro-1 can enter the cells as predicted by the DMSO-induced membrane-destructuring effects described in the MD simulations.

Effects of Dimethyl Sulfoxide in Cholesterol-Containing Lipid Membranes: A Comparative Study of Experiments In Silico and with Cells

PubMed Central

de Ménorval, Marie-Amélie; Mir, Lluis M.; Fernández, M. Laura; Reigada, Ramon

2012-01-01

Dimethyl sulfoxide (DMSO) has been known to enhance cell membrane permeability of drugs or DNA. Molecular dynamics (MD) simulations with single-component lipid bilayers predicted the existence of three regimes of action of DMSO: membrane loosening, pore formation and bilayer collapse. We show here that these modes of action are also reproduced in the presence of cholesterol in the bilayer, and we provide a description at the atomic detail of the DMSO-mediated process of pore formation in cholesterol-containing lipid membranes. We also successfully explore the applicability of DMSO to promote plasma membrane permeability to water, calcium ions (Ca2+) and Yo-Pro-1 iodide (Yo-Pro-1) in living cell membranes. The experimental results on cells in culture can be easily explained according to the three expected regimes: in the presence of low doses of DMSO, the membrane of the cells exhibits undulations but no permeability increase can be detected, while at intermediate DMSO concentrations cells are permeabilized to water and calcium but not to larger molecules as Yo-Pro-1. These two behaviors can be associated to the MD-predicted consequences of the effects of the DMSO at low and intermediate DMSO concentrations. At larger DMSO concentrations, permeabilization is larger, as even Yo-Pro-1 can enter the cells as predicted by the DMSO-induced membrane-destructuring effects described in the MD simulations. PMID:22848583

Hydromechanical behavior of Estaillades carbonate : directional permeability, stress-path and microstructural heterogeneity effects, yield and failure envelopes

NASA Astrophysics Data System (ADS)

Dautriat, J.; Dimanov, A.; Gland, N.; Raphanel, J.

2009-04-01

The influence of stress paths representative of reservoir conditions on the mechanical behavior and the coupled permeability evolutions of a carbonate has been investigated. In order to predict the permeability evolutions under triaxial loading, we have developed a triaxial cell designed to allow the measurements of the permeability in three orthogonal directions, along and transverse to the maximum principal stress direction. A set of core specimens are mechanically loaded following different stress paths characterized by a constant ratio K between horizontal and vertical stress. Our experimental set-up allows the monitoring of the petrophysical and geomechanical parameters during loading, before and post sample damage. The tested rock is an analog reservoir carbonate, the Estaillades Limestone, characterized macroscopically by a porosity around 29% and a moderate permeability around 150mD. From our experimental results, the failure envelope of this carbonate is determined and the evolutions of the directional permeability are examined in the (p',q) diagram. According to the followed stress path, permeability reductions can be limited or drastic. In addition, we have performed microstructural analyses on deformed samples and in-situ observations during loading inside a SEM in order to identify the micromechanisms responsible for the evolutions of porosity and permeability. For instance, we show the importance of local heterogeneities on initiation of damage and of pore collapse. In the near-elastic domain, brittle damage induces limited directional permeability modifications; whereas, at higher stress, depending on the value of K, shear induced dilation or shear induced compaction mechanisms are activated. The highest permeability drop occurred for the hydrostatic compression (K=1), in the compaction regime, characterized by pore collapse mechanisms affecting preferentially the macroporosity. A failure model is proposed and the failure envelope is determined in the (p',q) plane. A new expression of the failure envelope is also discussed which includes a dependency of the deviatoric stress with the stress-path parameter.

The effect of stress on limestone permeability and its effective stress behavior

NASA Astrophysics Data System (ADS)

Meng, F.; Baud, P.; Ge, H.; Wong, T. F.

2017-12-01

The evolution of permeability and its effective stress behavior is related to inelastic deformation and failure mode. This was investigated in Indiana and Purbeck limestones with porosities of 18% and 13%, respectively. Hydrostatic and triaxial compression tests were conducted at room temperature on water-saturated samples at pore pressure of 5 MPa and confining pressures up to 90 MPa. Permeability was measured using steady flow at different stages of deformation. For Indiana limestone, under hydrostatic loading pore collapse initiated at critical pressure P* 55 MPa with an accelerated reduction of permeability by 1/2. At a confinement of 35 MPa and above, shear-enhanced compaction initiated at critical stress C*, beyond which permeability reduction up to a factor of 3 was observed. At a confinement of 15 MPa and below, dilatancy initiated at critical stress C', beyond which permeability continued to decrease, with a negative correlation between porosity and permeability changes. Purbeck limestone showed similar evolution of permeability. Microstructural and mercury porosimetry data showed that pore size distribution in both Indiana and Purbeck limestones is bimodal, with significant proportions of macropores and micropores. The effective stress behaviour of a limestone with dual porosity is different from the prediction for a microscopically homogeneous assemblage, in that its effective stress coefficients for permeability and porosity change may attain values significantly >1. Indeed this was confirmed by our measurements (at confining pressures of 7-15 MPa and pore pressures of 1-3 MPa) in samples that had not been deformed inelastically. We also investigated the behavior in samples hydrostatically and triaxially compacted to beyond the critical stresses P* and C*, respectively. Experimental data for these samples consistently showed effective stress coefficients for both permeability and porosity change with values <1. Thus the effective stress behavior in an inelastically compacted sample is fundamentally different, with attributes akin to that of a microscopically homogeneous assemblage. This is likely related to compaction from pervasive collapse of macropores, which would effectively homogenize the initially bimodal pore size distribution.

Application of carbonate cyclostratigraphy and borehole geophysics to delineate porosity and preferential flow in the karst limestone of the Biscayne aquifer, SE Florida

USGS Publications Warehouse

Cunningham, K.J.; Renken, R.A.; Wacker, M.A.; Zygnerski, M.R.; Robinson, E.; Shapiro, A.M.; Wingard, G.L.

2006-01-01

Combined analyses of cores, borehole geophysical logs, and cyclostratigraphy produced a new conceptual hydrogeologic framework for the triple-porosity (matrix, touching-vug, and conduit porosity) karst limestone of the Biscayne aquifer in a 0.65 km2 study area, SE Florida. Vertical lithofacies successions, which have recurrent stacking patterns, fit within high-frequency cycles. We define three ideal high-frequency cycles as: (1) upward-shallowing subtidal cycles, (2) upward-shallowing paralic cycles, and (3) aggradational subtidal cycles. Digital optical borehole images, tracers, and flow meters indicate that there is a predictable vertical pattern of porosity and permeability within the three ideal cycles, because the distribution of porosity and permeability is related to lithofacies. Stratiform zones of high permeability commonly occur just above flooding surfaces in the lower part of upward-shallowing subtidal and paralic cycles, forming preferential groundwater flow zones. Aggradational subtidal cycles are either mostly high-permeability zones or leaky, low-permeability units. In the study area, groundwater flow within stratiform high-permeability zones is through a secondary pore system of touching-vug porosity principally related to molds of burrows and pelecypods and to interburrow vugs. Movement of a dye-tracer pulse observed using a borehole fluid-temperature tool during a conservative tracer test indicates heterogeneous permeability. Advective movement of the tracer appears to be most concentrated within a thin stratiform flow zone contained within the lower part of a high-frequency cycle, indicating a distinctly high relative permeability for this zone. Borehole flow-meter measurements corroborate the relatively high permeability of the flow zone. Identification and mapping of such high-permeability flow zones is crucial to conceptualization of karst groundwater flow within a cyclostratigraphic framework. Many karst aquifers are included in cyclic platform carbonates. Clearly, a cyclostratigraphic approach that translates carbonate aquifer heterogeneity into a consistent framework of correlative units will improve simulation of karst groundwater flow. ?? 2006 Geological Society of America.

Evaluation of Porosity and Permeability for an Oil Prospect, Offshore Vietnam by using Artificial Neural Networks

NASA Astrophysics Data System (ADS)

Bui, H. T.; Ho, L. T.; Ushijima, K.; Nur, A.

2006-12-01

Determination of porosity and permeability plays a key role either in characterization of a reservoir or in development of an oil field. Their distribution helps to predict the major faults or fractured zones that are related to high porosity area in order to reduce drilling hazards. Porosity and permeability of the rock can be determined directly from the core sample or obtained from well log data such as: sonic, density, neutron or resistivity. These input parameters depend not only on porosity (?) but also on the rock matrix, fluids contained in the rocks, clay mineral component, or geometry of pore structures. Therefore, it is not easy to estimate exactly porosity and permeability since having corrected those values by conventional well log interpretation method. In this study, the Artificial Neural Networks (ANNs) have been used to derive porosity and permeability directly from well log data for Vung Dong oil prospect, southern offshore Vietnam. Firstly, we designed a training patterns for ANNs from neutron porosity, bulk density, P-sonic, deep resistivity, shallow resistivity and MSFL log curves. Then, ANNs were trained by core samples data for porosity and permeability. Several ANNs paradigms have been tried on a basis of trial and error. The batch back- propagation algorithm was found more proficient in training porosity network meanwhile the quick propagation algorithm is more effective in the permeability network. Secondly, trained ANNs was tested and applied for real data set of some wells to calculate and reveal the distribution maps of porosity or permeability. Distributions of porosity and permeability have been correlated with seismic data interpretation to map the faults and fractured zones in the study. The ANNs showed good results of porosity and permeability distribution with high reliability, fast, accurate and low cost features. Therefore, the ANNs should be widely applied in oil and gas industry.

The Evolution of Cracks in Maluanshan Granite Subjected to Different Temperature Processing

NASA Astrophysics Data System (ADS)

Jiang, Guanghui; Zuo, Jianping; Li, Liyun; Ma, Teng; Wei, Xu

2018-06-01

The understanding of the change in the physical and mechanical properties of rock before and after heating is of great significance for the site selection of mattamore and the exploitation of geothermal resources. It is known that before and after heating, the changes in wave velocity, wave velocity anisotropy and permeability of rock are due to the evolution of cracks in the rock. In this study, the wave velocity and permeability of granite specimen from the Maluanshan tunnel in Shenzhen, China, were measured after high-temperature processing at atmospheric pressure. The effects of temperature on the properties of rock based on the acoustics and permeability were measured and analyzed. The evolution of the cracks in Maluanshan granite was inverted through the change rule of the cracks, wave velocity anisotropy and permeability with temperature. The main conclusions were as follows: (1) Both granite P and S wave velocities decreased with the increasing temperature, and the thermal cracking occurred in four stages: between 50 and 250 °C, the crack stabilization development stage was in effect; between 250 and 300 °C, an accelerated development stage of the cracks existed; between 300 and 350 °C, a shift stage for the cracks was entered; and finally, from 350 to 700 °C, the cracks continued into a further development stage; (2) The coefficient of variation could be used to reflect the structural feature change of the rocks in the study of the wave velocity anisotropy. The structures of cracks were observed to change before and after 300 °C. (3) The Maluanshan granite permeability increases with the increasing processing temperature. It was observed that the higher the processing temperature, the larger the increase in the permeability rate. A porosity function was used as a variable to analyze the relationship between the porosity function and permeability as follows: from 50 to 200 °C, the permeability was determined by the microcracks; 200-400 °C was the transition stage; and between 400 and 700 °C, the permeability was determined by the macrocracks.

A stress-dependent model for reservoir stimulation in enhanced geothermal systems

NASA Astrophysics Data System (ADS)

Troiano, Antonio; Giulia Di Giuseppe, Maria; Troise, Claudia; De Natale, Giuseppe

2015-04-01

We present a procedure for testing the interpretation of the induced seismicity. The procedure is based on Coulomb stress changes induced by deep fluid injection during well stimulation, providing a way to estimate how the potential for seismic failure in different volumes of a geothermal reservoir might change due to the water injection. Coulomb stress changes appear to be the main cause for the induced seismicity during the water injection. These stress changes do not only result from changes in the pore pressure, but also from the whole change in the stress tensor at any point in the medium, which results from the pressure perturbations. The numerical procedure presented takes into account the permeability increase that is due to the induced stress changes. A conceptual model that links the induced stress tensor and the permeability modifications is considered to estimate the permeability change induced during the water injection. In this way, we can adapt the medium behavior to mechanical changes, in order to better evaluate the effectiveness of the stimulation process for the enhancement of the reservoir permeability, while also refining the reconstruction of the Coulomb stress change patterns. Numerical tests have been developed that consider a physical medium and a geometry of the system comparable with that of Soultz EGS site (Alsace, France). Tests considering a fixed permeability, both isotropic and anisotropic, indicate a general decrease in the pressure changes when an anisotropic permeability was considered, with respect to the isotropic case. A marked elongation of the coulomb stress change patterns in the regional load direction was retrieved. This effect is enforced when a stress-dependent permeability is taken into account. Permeability enhancement progressively enlarges the seismic volume in turns, while decreasing the pressure in the neighborhood of the bottom of the well. The use of stress-dependent permeability also improves the reconstruction of the observed seismicity pattern. In particular, the large maximum of the coulomb stress changes at the point of injection, which was already mitigated by the consideration of anisotropic permeability, appears further decreased in the new data. The improving of the correlation between the coulomb stress changes and the induced seismicity distribution supports the reliability and robustness of the main hypothesis of this study of the relationship between the induced stress tensor variation and the permeability enhancement. The use of stress-dependent permeability constitutes an important step towards the theoretical planning of stimulation procedures, and towards interpretation and mitigation of the induced seismicity.

Characterization of tumor microvascular structure and permeability: comparison between magnetic resonance imaging and intravital confocal imaging

NASA Astrophysics Data System (ADS)

Reitan, Nina Kristine; Thuen, Marte; Goa, Pa˚L. Erik; de Lange Davies, Catharina

2010-05-01

Solid tumors are characterized by abnormal blood vessel organization, structure, and function. These abnormalities give rise to enhanced vascular permeability and may predict therapeutic responses. The permeability and architecture of the microvasculature in human osteosarcoma tumors growing in dorsal window chambers in athymic mice were measured by confocal laser scanning microscopy (CLSM) and dynamic contrast enhanced magnetic resonance imaging (DCE-MRI). Dextran (40 kDa) and Gadomer were used as molecular tracers for CLSM and DCE-MRI, respectively. A significant correlation was found between permeability indicators. The extravasation rate Ki as measured by CLSM correlated positively with DCE-MRI parameters, such as the volume transfer constant Ktrans and the initial slope of the contrast agent concentration-time curve. This demonstrates that these two techniques give complementary information. Extravasation was further related to microvascular structure and was found to correlate with the fractal dimension and vascular density. The structural parameter values that were obtained from CLSM images were higher for abnormal tumor vasculature than for normal vessels.

Molecular Dynamics Simulations of Hydration Effects on Solvation, Diffusivity, and Permeability in Chitosan/Chitin Films.

PubMed

McDonnell, Marshall T; Greeley, Duncan A; Kit, Kevin M; Keffer, David J

2016-09-01

The effects of hydration on the solvation, diffusivity, solubility, and permeability of oxygen molecules in sustainable, biodegradable chitosan/chitin food packaging films were studied via molecular dynamics and confined random walk simulations. With increasing hydration, the membrane has a more homogeneous water distribution with the polymer chains being fully solvated. The diffusivity increased by a factor of 4 for oxygen molecules and by an order of magnitude for water with increasing the humidity. To calculate the Henry's constant and solubility of oxygen in the membranes with changing hydration, the excess chemical potential was calculated via free energy perturbation, thermodynamic integration and direct particle deletion methods. The simulations predicted a higher solubility and permeability for the lower humidity, in contradiction to experimental results. All three methods for calculating the solubility were in good agreement. It was found that the Coulombic interactions in the potential caused the oxygen to bind too strongly to the protonated amine group. Insight from this work will help guide molecular modeling of chitosan/chitin membranes, specifically permeability measurements for small solute molecules. Efforts to chemically tailor chitosan/chitin membranes to favor discrete as opposed to continuous aqueous domains could reduce oxygen permeability.

Contemporary and historic factors influence differently genetic differentiation and diversity in a tropical palm

PubMed Central

da Silva Carvalho, C; Ribeiro, M C; Côrtes, M C; Galetti, M; Collevatti, R G

2015-01-01

Population genetics theory predicts loss in genetic variability because of drift and inbreeding in isolated plant populations; however, it has been argued that long-distance pollination and seed dispersal may be able to maintain gene flow, even in highly fragmented landscapes. We tested how historical effective population size, historical migration and contemporary landscape structure, such as forest cover, patch isolation and matrix resistance, affect genetic variability and differentiation of seedlings in a tropical palm (Euterpe edulis) in a human-modified rainforest. We sampled 16 sites within five landscapes in the Brazilian Atlantic forest and assessed genetic variability and differentiation using eight microsatellite loci. Using a model selection approach, none of the covariates explained the variation observed in inbreeding coefficients among populations. The variation in genetic diversity among sites was best explained by historical effective population size. Allelic richness was best explained by historical effective population size and matrix resistance, whereas genetic differentiation was explained by matrix resistance. Coalescence analysis revealed high historical migration between sites within landscapes and constant historical population sizes, showing that the genetic differentiation is most likely due to recent changes caused by habitat loss and fragmentation. Overall, recent landscape changes have a greater influence on among-population genetic variation than historical gene flow process. As immediate restoration actions in landscapes with low forest amount, the development of more permeable matrices to allow the movement of pollinators and seed dispersers may be an effective strategy to maintain microevolutionary processes. PMID:25873150

Rectification properties and Ca2+ permeability of glutamate receptor channels in hippocampal cells.

PubMed

Lerma, J; Morales, M; Ibarz, J M; Somohano, F

1994-07-01

Excitatory amino acids exert a depolarizing action on central nervous system cells through an increase in cationic conductances. Non-NMDA receptors have been considered to be selectively permeable to Na+ and K+, while Ca2+ influx has been thought to occur through the NMDA receptor subtype. Recently, however, the expression of cloned non-NMDA receptor subunits has shown that alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptors are permeable to Ca2+ whenever the receptor lacks a particular subunit (edited GluR-B). The behaviour of recombinant glutamate receptor channels predicts that Ca2+ would only permeate through receptors that show strong inward rectification and vice versa, i.e. AMPA receptors with linear current-voltage relationships would be impermeable to Ca2+. Using the whole-cell configuration of the patch-clamp technique, we have studied the Ca2+ permeability and the rectifying properties of AMPA receptors, when activated by kainate, in hippocampal neurons kept in culture or acutely dissociated from differentiated hippocampus. Cells were classified according to whether they showed outward rectifying (type I), inward rectifying (type II) or almost linear (type III) current-voltage relationships for kainate-activated responses. AMPA receptors of type I cells (52.2%) were mostly Ca(2+)-impermeable (PCa/PCs = 0.1), while type II cells (6.5%) expressed Ca(2+)-permeable receptors (PCa/PCs = 0.9). Type III cells (41.3%) showed responses with low but not negligible Ca2+ permeability (PCa/PCs = 0.18). The degree of Ca2+ permeability and inward rectification were well correlated in cultured cells, i.e. more inward rectification corresponded to higher Ca2+ permeability.(ABSTRACT TRUNCATED AT 250 WORDS)

Evaluating blood-brain barrier permeability in delayed cerebral infarction after aneurysmal subarachnoid hemorrhage.

PubMed

Ivanidze, J; Kesavabhotla, K; Kallas, O N; Mir, D; Baradaran, H; Gupta, A; Segal, A Z; Claassen, J; Sanelli, P C

2015-05-01

Patients with SAH are at increased risk of delayed infarction. Early detection and treatment of delayed infarction remain challenging. We assessed blood-brain barrier permeability, measured as permeability surface area product, by using CTP in patients with SAH with delayed infarction. We performed a retrospective study of patients with SAH with delayed infarction on follow-up NCCT. CTP was performed before the development of delayed infarction. CTP data were postprocessed into permeability surface area product, CBF, and MTT maps. Coregistration was performed to align the infarcted region on the follow-up NCCT with the corresponding location on the CTP maps obtained before infarction. Permeability surface area product, CBF, and MTT values were then obtained in the location of the subsequent infarction. The contralateral noninfarcted region was compared with the affected side in each patient. Wilcoxon signed rank tests were performed to determine statistical significance. Clinical data were collected at the time of CTP and at the time of follow-up NCCT. Twenty-one patients with SAH were included in the study. There was a statistically significant increase in permeability surface area product in the regions of subsequent infarction compared with the contralateral control regions (P < .0001). However, CBF and MTT values were not significantly different in these 2 regions. Subsequent follow-up NCCT demonstrated new delayed infarction in all 21 patients, at which time 38% of patients had new focal neurologic deficits. Our study reveals a statistically significant increase in permeability surface area product preceding delayed infarction in patients with SAH. Further investigation of early permeability changes in SAH may provide new insights into the prediction of delayed infarction. © 2015 by American Journal of Neuroradiology.

Porous Flow and Diffusion of Water in the Mantle Wedge: Melting and Hydration Patterns

NASA Astrophysics Data System (ADS)

Conder, J. A.

2005-12-01

It is widely accepted that melting at volcanic arcs is primarily triggered by fluxing the mantle wedge from the dehydrating subducting slab. However, there is less concensus regarding how water moves into and within the mantle wedge. There are at least four possible mechanisms for water migration in the wedge: buoyant porous flow, diffusion through mineral crystals, advection of hydrated minerals, and compositionally buoyant diapers. The latter two mechanisms require at least one of the first two to occur to get water from the slab into the wedge before they can function. Using geodynamic models of mantle flow in a simplified subduction setting, we explore the implications of diffusion and porous flow of water in the wedge, particularly as they would affect the time for recycling water through the subduction factory and the predicted pattern of basalt hydration across the arc. The slab is assumed to dehydrate in a continuous fashion as the solubility of water in subducted oceanic crust decreases with temperature and pressure and the water then enters the wedge via one of the two transport mechanisms. Diffusion is controlled by temperature and by which minerals are present. Although olivine dominates the mantle mineral fraction, pyroxenes may control the diffusion of water in the wedge as the diffusivity of pyroxene is one or more orders of magnitude greater than olivine. Even assuming the faster diffusion rate of orthopyroxene in the models, diffusion can only be an important transport mechanism when subduction rates are slower than ~3 cm/yr. Flux melting occurs in the wedge above where the slab is ~100-160 km deep with the maximum above where the slab is ~120 km deep. Models including porous flow can result in melting at higher subduction rates provided the permeability of the mantle is greater than 10-17 m2. The true magnitude of the permeability likely varies with the corresponding porosity created by the free phase. With porous flow, melting occurs 20-30 km closer to the trench and the degree of melting is larger than when only diffusion is allowed. The rate of dehydration depends on the thermal structure which can affect the permeability. The dependence of permeability and diffusion with temperature may explain the variations in volcanic front location as observed at different arcs.

Submarine hydrogeology of the Hawaiian archipelagic apron: 2. Numerical simulations of coupled heat transport and fluid flow

NASA Astrophysics Data System (ADS)

Harris, Robert N.; Garven, Grant; Georgen, Jennifer; McNutt, Marcia K.; Christiansen, Lizet; von Herzen, Richard P.

2000-09-01

We perform numerical simulations of buoyancy-driven, pore fluid flow in the Hawaiian archipelagic apron and underlying oceanic crust in order to determine the extent to which heat redistributed by such flow might cause conductive heat flow measurements to underrepresent the true mantle heat flux. We also seek an understanding of undulations observed in finely spaced heat flow measurements acquired north of Oahu and Maro Reef with wavelengths of 10 to 100 km and amplitudes of 2 to 7 mW m-2. We find that pore fluid flow can impart significant perturbations to seafloor heat flow from the value expected assuming a constant mantle flux. In the simplest scenario, moat-wide circulation driven by bathymetric relief associated with the volcanic edifice recharges a fluid system over the moat and discharges the geothermally heated water through the volcanic edifice. The existing heat flow data are unable to confirm the existence of such a flow regime, in that it produces prominent heat flow anomalies only on the steep flanks of the volcano where heat flow probes cannot penetrate. However, this flow system does not significantly mask the mantle flux for reasonable permeabilities and flow rates. Another numerical simulation in which the upper oceanic basement acts as a aquifer for a flow loop recharged at basement outcrops on the flexural arch and discharged within a permeable volcanic edifice is capable of almost uniformly depressing conductive heat flow across the entire moat by ˜15%. Large heat flow anomalies (>20 mW m-2) are located over the recharge and discharge zones but are beyond the area sampled by our data. Presumably finely spaced heat flow measurements over the flexural arch could test for the existence of the predicted recharge zone. We demonstrate that the prominent, shorter-wave undulations in heat flow across the Oahu and Maro Reef moats are too large to be explained solely by relief in the upper oceanic basement. More likely, shallower large-scale turbidites or debris flows also serve as aquifers within the less permeable moat sediments. With our limited information on the structural geology of the moat, permeability structure of its major geologic units, and their variations in the third dimension, we are not able to exactly match the spatial distribution of heat flow anomalies in our data, but spectral comparisons look promising.

A new descriptor via bio-mimetic chromatography and modeling for the blood brain barrier (Part II).

PubMed

Kouskoura, Maria G; Piteni, Aikaterini I; Markopoulou, Catherine K

2018-05-25

Within the context of drug design methodology for the central nervous system (CNS), a predictive model which can shorten the process of finding new candidate drugs was developed. Therefore, the retention time of 51 molecules which are clinically established to enter the blood brain barrier (BBB), were recorded on two HPLC columns. For this purpose, a lipophilic butyl (C 4 ) stationary phase was used to simulate the behavior of a drug regarding BBB permeability and a zwitterionic-HILIC to simulate blood. The results were plotted as Y variables on two Partial Least Squares (PLS) models, while 25 specific physicochemical properties (significant for lipid bilayers BBB permeation or blood) were used as X descriptors. Both models can be utilized to predict the drugability of a new molecule avoiding needless animal experiments, as well as time and material consuming syntheses. The developed models were validated (R 2  ≥ 0.90, Q 2  ≥ 0.83), and based on the results specific variables were proved to be significant for the studied phenomenon. Additionally, a new factor symbolized as MT was introduced. MT incorporated the experimental results and it was calculated by the fraction of the sum of the retention time of the drug on the two columns (t r(butyl)  + t r(HILIC) ) divided by the molecular volume (V m ) of each analyte. This new descriptor was used as an equivalent to the logarithm of BBB permeability (logBB) and may indicate the ability of a new molecule to act as a candidate drug able to enter the BBB. Comprehending the extend of contribution of several molecular attributes to the in vivo distribution of a drug may enlighten the knowledge on pharmacokinetics and clinical variation, and enable scientists to design more efficient drug molecules. Copyright © 2018 Elsevier B.V. All rights reserved.

HYDROGEN ELECTROLYZER FLOW DISTRIBUTOR MODEL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shadday, M

2006-09-28

The hybrid sulfur process (HyS) hydrogen electrolyzer consists of a proton exchange membrane (PEM) sandwiched between two porous graphite layers. An aqueous solution of sulfuric acid with dissolved SO{sub 2} gas flows parallel to the PEM through the porous graphite layer on the anode side of the electrolyzer. A flow distributor, consisting of a number of parallel channels acting as headers, promotes uniform flow of the anolyte fluid through the porous graphite layer. A numerical model of the hydraulic behavior of the flow distributor is herein described. This model was developed to be a tool to aid the design ofmore » flow distributors. The primary design objective is to minimize spatial variations in the flow through the porous graphite layer. The hydraulic data from electrolyzer tests consists of overall flowrate and pressure drop. Internal pressure and flow distributions are not measured, but these details are provided by the model. The model has been benchmarked against data from tests of the current electrolyzer. The model reasonably predicts the viscosity effect of changing the fluid from water to an aqueous solution of 30 % sulfuric acid. The permeability of the graphite layer was the independent variable used to fit the model to the test data, and the required permeability for a good fit is within the range literature values for carbon paper. The model predicts that reducing the number of parallel channels by 50 % will substantially improve the uniformity of the flow in the porous graphite layer, while maintaining an acceptable pressure drop across the electrolyzer. When the size of the electrolyzer is doubled from 2.75 inches square to 5.5 inches square, the same number of channels as in the current design will be adequate, but it is advisable to increase the channel cross-sectional flow area. This is due to the increased length of the channels.« less

Geostatistical analysis of centimeter-scale hydraulic conductivity variations at the MADE site

NASA Astrophysics Data System (ADS)

Bohling, Geoffrey C.; Liu, Gaisheng; Knobbe, Steven J.; Reboulet, Edward C.; Hyndman, David W.; Dietrich, Peter; Butler, James J., Jr.

2012-02-01

Spatial variations in hydraulic conductivity (K) provide critical controls on solute transport in the subsurface. Recently, new direct-push tools were developed for high-resolution characterization of K variations in unconsolidated settings. These tools were applied to obtain 58 profiles (vertical resolution of 1.5 cm) from the heavily studied macrodispersion experiment (MADE) site. We compare the data from these 58 profiles with those from the 67 flowmeter profiles that have served as the primary basis for characterizing the heterogeneous aquifer at the site. Overall, the patterns of variation displayed by the two data sets are quite similar, in terms of both large-scale structure and autocorrelation characteristics. The direct-push K values are, on average, roughly a factor of 5 lower than the flowmeter values. This discrepancy appears to be attributable, at least in part, to opposite biases between the two methods, with the current versions of the direct-push tools underestimating K in the highly permeable upper portions of the aquifer and the flowmeter overestimating K in the less permeable lower portions. The vertically averaged K values from a series of direct-push profiles in the vicinity of two pumping tests at the site are consistent with the K estimates from those tests, providing evidence that the direct-push estimates are of a reasonable magnitude. The results of this field demonstration show that direct-push profiling has the potential to characterize highly heterogeneous aquifers with a speed and resolution that has not previously been possible.

Metal Amorphous Nanocomposite (MANC) Alloy Cores with Spatially Tuned Permeability for Advanced Power Magnetics Applications

NASA Astrophysics Data System (ADS)

Byerly, K.; Ohodnicki, P. R.; Moon, S. R.; Leary, A. M.; Keylin, V.; McHenry, M. E.; Simizu, S.; Beddingfield, R.; Yu, Y.; Feichter, G.; Noebe, R.; Bowman, R.; Bhattacharya, S.

2018-04-01

Metal amorphous nanocomposite (MANC) alloys are an emerging class of soft magnetic materials showing promise for a range of inductive components targeted for higher power density and higher efficiency power conversion applications including inductors, transformers, and rotating electrical machinery. Magnetization reversal mechanisms within these alloys are typically determined by composition optimization as well as controlled annealing treatments to generate a nanocomposite structure composed of nanocrystals embedded in an amorphous precursor. Here we demonstrate the concept of spatially varying the permeability within a given component for optimization of performance by using the strain annealing process. The concept is realized experimentally through the smoothing of the flux profile from the inner to outer core radius achieved by a monotonic variation in tension during the strain annealing process. Great potential exists for an extension of this concept to a wide range of other power magnetic components and more complex spatially varying permeability profiles through advances in strain annealing techniques and controls.

Metal Amorphous Nanocomposite (MANC) Alloy Cores with Spatially Tuned Permeability for Advanced Power Magnetics Applications

NASA Astrophysics Data System (ADS)

Byerly, K.; Ohodnicki, P. R.; Moon, S. R.; Leary, A. M.; Keylin, V.; McHenry, M. E.; Simizu, S.; Beddingfield, R.; Yu, Y.; Feichter, G.; Noebe, R.; Bowman, R.; Bhattacharya, S.

2018-06-01

Metal amorphous nanocomposite (MANC) alloys are an emerging class of soft magnetic materials showing promise for a range of inductive components targeted for higher power density and higher efficiency power conversion applications including inductors, transformers, and rotating electrical machinery. Magnetization reversal mechanisms within these alloys are typically determined by composition optimization as well as controlled annealing treatments to generate a nanocomposite structure composed of nanocrystals embedded in an amorphous precursor. Here we demonstrate the concept of spatially varying the permeability within a given component for optimization of performance by using the strain annealing process. The concept is realized experimentally through the smoothing of the flux profile from the inner to outer core radius achieved by a monotonic variation in tension during the strain annealing process. Great potential exists for an extension of this concept to a wide range of other power magnetic components and more complex spatially varying permeability profiles through advances in strain annealing techniques and controls.

Processing and Pretreatment Effects on Vanadium Transport in Nafion Membranes

DOE PAGES

Xie, Wei; Darling, Robert M.; Perry, Mike L.

2015-10-13

Here, this work describes how manufacturing processes and pretreatments affect the proton conductivity and vanadyl permeability of Nafion® and how these properties are altered by running in a cell. Five Nafion membranes were examined: reinforced XL100, dispersion cast NR211 and NR212, and extruded N115 and N117. The membranes were subjected to pretreatments that included annealing at 120°C and immersing in ambient temperature and boiling water and sulfuric acid. Vanadyl permeability varied by ~15X with pretreatment and ~3X with manufacturing process. Variations in ionic conductivity were comparatively modest: ~1.5X with pretreatment and ~1.2X with processing. Differences in permeability can be eliminatedmore » by annealing the extruded membranes above their glass-transition temperature or by immersing in boiling sulfuric acid. The differences induced by processing and pretreatments were largely absent from membranes removed from vanadium redox cells subjected to repeated charge/discharge cycles.« less

Magnetic field extraction of trap-based electron beams using a high-permeability grid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hurst, N. C.; Danielson, J. R.; Surko, C. M., E-mail: csurko@physics.ucsd.edu

2015-07-15

A method to form high quality electrostatically guided lepton beams is explored. Test electron beams are extracted from tailored plasmas confined in a Penning-Malmberg trap. The particles are then extracted from the confining axial magnetic field by passing them through a high magnetic permeability grid with radial tines (a so-called “magnetic spider”). An Einzel lens is used to focus and analyze the beam properties. Numerical simulations are used to model non-adiabatic effects due to the spider, and the predictions are compared with the experimental results. Improvements in beam quality are discussed relative to the use of a hole in amore » high permeability shield (i.e., in lieu of the spider), and areas for further improvement are described.« less

A three-pathway pore model describes extensive transport data from Mammalian microvascular beds and frog microvessels.

PubMed

Wolf, Matthew B

2002-12-01

To show that a three-pathway pore model can describe extensive transport data in cat and rat skeletal muscle microvascular beds and in frog mesenteric microvessels. A three-pathway pore model was used to predict transport data measured in various microcirculatory preparations. The pathways consist of 4- and 24-nm radii pore systems with a 2.5:1 ratio of hydraulic conductivities and a water-only pathway of variable conductivity. The pore sizes and relative hydraulic conductivities of the small- and large-pore systems were derived from a model fit to reflection coefficient (sigma) data in the cat hindlimb. The fraction (alpha(w)) of total hydraulic conductivity (L(p)) or hydraulic capacity (L(p)S) contributed by the water-only pathway was uniquely determined for each preparation by a fit of the three-pathway model (parameters fixed as above) to sigma data measured in that preparation. These parameter values were unchanged when the model was used to predict diffusion capacity (permeability-surface area product, P(d)S) data in the cat or rat preparations or diffusional permeability (P(d)) data in frog microvessels. The values for L(p) or L(p)S used to predict diffusional data in each preparation were taken from the literature. Predictions of P(d) ratios for solute pairs were also compared with experimental data. The three-pathway model closely predicted the trend of P(d)S or P(d) experimental data in all three preparations; in general, predicted P(d) ratios for paired solutes were quite similar to experimental data. For these comparisons, the only parameter varied between these preparations was alpha(w). It varied considerably, from 7 to 16 to 41% of total in frog, rat, and cat preparations. Individual P(d)S or P(d) experimental data were closely predicted in the cat but somewhat overestimated in the frog and rat. This result could be due the use of L(p) or L(p)S values in the model that were affected by methodological problems. Calculated hydraulic conductivities of the water-only pathway in the three preparations were quite similar. : These results support the hypothesis of a common structure of the transmembrane pathways in these three, very different, microcirculatory preparations. What varies considerably between them is the total number of solute-conducting pathways, but not their dimensions, nor the hydraulic conductivities of their water-only pathways. Because of the wide variation of alpha(w) among these preparations, the ratio of P(d) to L(p) for any solute is not constant, but the deviation from constancy may not be detectable because of errors in the experimental data.

Reservoir zonation based on statistical analyses: A case study of the Nubian sandstone, Gulf of Suez, Egypt

NASA Astrophysics Data System (ADS)

El Sharawy, Mohamed S.; Gaafar, Gamal R.

2016-12-01

Both reservoir engineers and petrophysicists have been concerned about dividing a reservoir into zones for engineering and petrophysics purposes. Through decades, several techniques and approaches were introduced. Out of them, statistical reservoir zonation, stratigraphic modified Lorenz (SML) plot and the principal component and clustering analyses techniques were chosen to apply on the Nubian sandstone reservoir of Palaeozoic - Lower Cretaceous age, Gulf of Suez, Egypt, by using five adjacent wells. The studied reservoir consists mainly of sandstone with some intercalation of shale layers with varying thickness from one well to another. The permeability ranged from less than 1 md to more than 1000 md. The statistical reservoir zonation technique, depending on core permeability, indicated that the cored interval of the studied reservoir can be divided into two zones. Using reservoir properties such as porosity, bulk density, acoustic impedance and interval transit time indicated also two zones with an obvious variation in separation depth and zones continuity. The stratigraphic modified Lorenz (SML) plot indicated the presence of more than 9 flow units in the cored interval as well as a high degree of microscopic heterogeneity. On the other hand, principal component and cluster analyses, depending on well logging data (gamma ray, sonic, density and neutron), indicated that the whole reservoir can be divided at least into four electrofacies having a noticeable variation in reservoir quality, as correlated with the measured permeability. Furthermore, continuity or discontinuity of the reservoir zones can be determined using this analysis.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahmad Ghassemi

Geothermal energy is recovered by circulating water through heat exchange areas within a hot rock mass. Geothermal reservoir rock masses generally consist of igneous and metamorphic rocks that have low matrix permeability. Therefore, cracks and fractures play a significant role in extraction of geothermal energy by providing the major pathways for fluid flow and heat exchange. Therefore, knowledge of the conditions leading to formation of fractures and fracture networks is of paramount importance. Furthermore, in the absence of natural fractures or adequate connectivity, artificial fractures are created in the reservoir using hydraulic fracturing. Multiple fractures are preferred because of themore » large size necessary when using only a single fracture. Although the basic idea is rather simple, hydraulic fracturing is a complex process involving interactions of high pressure fluid injections with a stressed hot rock mass, mechanical interaction of induced fractures with existing natural fractures, and the spatial and temporal variations of in-situ stress. As a result, it is necessary to develop tools that can be used to study these interactions as an integral part of a comprehensive approach to geothermal reservoir development, particularly enhanced geothermal systems. In response to this need we have developed advanced poro-thermo-chemo-mechanical fracture models for rock fracture research in support of EGS design. The fracture propagation models are based on a regular displacement discontinuity formulation. The fracture propagation studies include modeling interaction of induced fractures. In addition to the fracture propagation studies, two-dimensional solution algorithms have been developed and used to estimate the impact of pro-thermo-chemical processes on fracture permeability and reservoir pressure. Fracture permeability variation is studied using a coupled thermo-chemical model with quartz reaction kinetics. The model is applied to study quartz precipitation/dissolution, as well as the variation in fracture aperture and pressure. Also, a three-dimensional model of injection/extraction has been developed to consider the impact poro- and thermoelastic stresses on fracture slip and injection pressure. These investigations shed light on the processes involved in the observed phenomenon of injection pressure variation (e.g., in Coso), and allow the assessment of the potential of thermal and chemical stimulation strategies.« less

Dynamical Model of Drug Accumulation in Bacteria: Sensitivity Analysis and Experimentally Testable Predictions

DOE PAGES

Vesselinova, Neda; Alexandrov, Boian; Wall, Michael E.

2016-11-08

We present a dynamical model of drug accumulation in bacteria. The model captures key features in experimental time courses on ofloxacin accumulation: initial uptake; two-phase response; and long-term acclimation. In combination with experimental data, the model provides estimates of import and export rates in each phase, the time of entry into the second phase, and the decrease of internal drug during acclimation. Global sensitivity analysis, local sensitivity analysis, and Bayesian sensitivity analysis of the model provide information about the robustness of these estimates, and about the relative importance of different parameters in determining the features of the accumulation time coursesmore » in three different bacterial species: Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa. The results lead to experimentally testable predictions of the effects of membrane permeability, drug efflux and trapping (e.g., by DNA binding) on drug accumulation. A key prediction is that a sudden increase in ofloxacin accumulation in both E. coli and S. aureus is accompanied by a decrease in membrane permeability.« less

Dynamical Model of Drug Accumulation in Bacteria: Sensitivity Analysis and Experimentally Testable Predictions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vesselinova, Neda; Alexandrov, Boian; Wall, Michael E.

We present a dynamical model of drug accumulation in bacteria. The model captures key features in experimental time courses on ofloxacin accumulation: initial uptake; two-phase response; and long-term acclimation. In combination with experimental data, the model provides estimates of import and export rates in each phase, the time of entry into the second phase, and the decrease of internal drug during acclimation. Global sensitivity analysis, local sensitivity analysis, and Bayesian sensitivity analysis of the model provide information about the robustness of these estimates, and about the relative importance of different parameters in determining the features of the accumulation time coursesmore » in three different bacterial species: Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa. The results lead to experimentally testable predictions of the effects of membrane permeability, drug efflux and trapping (e.g., by DNA binding) on drug accumulation. A key prediction is that a sudden increase in ofloxacin accumulation in both E. coli and S. aureus is accompanied by a decrease in membrane permeability.« less

Single-phase and two-phase flow properties of mesaverde tight sandstone formation; random-network modeling approach

NASA Astrophysics Data System (ADS)

Bashtani, Farzad; Maini, Brij; Kantzas, Apostolos

2016-08-01

3D random networks are constructed in order to represent the tight Mesaverde formation which is located in north Wyoming, USA. The porous-space is represented by pore bodies of different shapes and sizes which are connected to each other by pore throats of varying length and diameter. Pore bodies are randomly distributed in space and their connectivity varies based on the connectivity number distribution which is used in order to generate the network. Network representations are then validated using publicly available mercury porosimetry experiments. The network modeling software solves the fundamental equations of two-phase immiscible flow incorporating wettability and contact angle variability. Quasi-static displacement is assumed. Single phase macroscopic properties (porosity, permeability) are calculated and whenever possible are compared to experimental data. Using this information drainage and imbibition capillary pressure, and relative permeability curves are predicted and (whenever possible) compared to experimental data. The calculated information is grouped and compared to available literature information on typical behavior of tight formations. Capillary pressure curve for primary drainage process is predicted and compared to experimental mercury porosimetry in order to validate the virtual porous media by history matching. Relative permeability curves are also calculated and presented.

Determination of rock properties by low-frequency AC electrokinetics

NASA Astrophysics Data System (ADS)

Pengra, David B.; Xi Li, Sidney; Wong, Po-Zen

1999-12-01

In brine-saturated rock the existence of a mobile space charge at the fluid/solid interface leads to the electrokinetic phenomena of electroosmotic pressure and streaming potential. The coupling coefficients of these electrokinetic effects, when combined with the conductivity of the brine-saturated rock, determine the brine permeability of rock exactly. A sensitive low-frequency AC technique has been used to measure electrokinetic response of a collection of eight rock and four glass bead samples saturated with NaCl brine as a function of salt concentration (fluid conductivity of 0.5 to 6.38 S/m); the response of four of the original 12 samples has also been measured as a function of temperature from 0° to 50°C. All data verify the predicted permeability relationship. Additionally, the frequency response of the electroosmotic pressure signal alone can also be used to determine the permeability, given knowledge of experimental parameters. The concentration and temperature dependence of electroosmosis and streaming potential is found to mostly conform to the predictions of a simple model based on the Helmholtz-Smoluchowski equation, the Stern model of the electrochemical double layer, and an elementary theory of ionic conduction.

Predictive model to describe water migration in cellular solid foods during storage.

PubMed

Voogt, Juliën A; Hirte, Anita; Meinders, Marcel B J

2011-11-01

Water migration in cellular solid foods during storage causes loss of crispness. To improve crispness retention, physical understanding of this process is needed. Mathematical models are suitable tools to gain this physical knowledge. Water migration in cellular solid foods involves migration through both the air cells and the solid matrix. For systems in which the water migration distance is large compared with the cell wall thickness of the solid matrix, the overall water flux through the system is dominated by the flux through the air. For these systems, water migration can be approximated well by a Fickian diffusion model. The effective diffusion coefficient can be expressed in terms of the material properties of the solid matrix (i.e. the density, sorption isotherm and diffusion coefficient of water in the solid matrix) and the morphological properties of the cellular structure (i.e. water vapour permeability and volume fraction of the solid matrix). The water vapour permeability is estimated from finite element method modelling using a simplified model for the cellular structure. It is shown that experimentally observed dynamical water profiles of bread rolls that differ in crust permeability are predicted well by the Fickian diffusion model. Copyright © 2011 Society of Chemical Industry.

Estimating reservoir permeability from gravity current modeling of CO2 flow at Sleipner storage project, North Sea

NASA Astrophysics Data System (ADS)

Cowton, L. R.; Neufeld, J. A.; Bickle, M.; White, N.; White, J.; Chadwick, A.

2017-12-01

Vertically-integrated gravity current models enable computationally efficient simulations of CO2 flow in sub-surface reservoirs. These simulations can be used to investigate the properties of reservoirs by minimizing differences between observed and modeled CO2 distributions. At the Sleipner project, about 1 Mt yr-1 of supercritical CO2 is injected at a depth of 1 km into a pristine saline aquifer with a thick shale caprock. Analysis of time-lapse seismic reflection surveys shows that CO2 is distributed within 9 discrete layers. The trapping mechanism comprises a stacked series of 1 m thick, impermeable shale horizons that are spaced at 30 m intervals through the reservoir. Within the stratigraphically highest reservoir layer, Layer 9, a submarine channel deposit has been mapped on the pre-injection seismic survey. Detailed measurements of the three-dimensional CO2 distribution within Layer 9 have been made using seven time-lapse surveys, providing a useful benchmark against which numerical flow simulations can be tested. Previous simulations have, in general, been largely unsuccessful in matching the migration rate of CO2 in this layer. Here, CO2 flow within Layer 9 is modeled as a vertically-integrated gravity current that spreads beneath a structurally complex caprock using a two-dimensional grid, considerably increasing computational efficiency compared to conventional three-dimensional simulators. This flow model is inverted to find the optimal reservoir permeability in Layer 9 by minimizing the difference between observed and predicted distributions of CO2 as a function of space and time. A three parameter inverse model, comprising reservoir permeability, channel permeability and channel width, is investigated by grid search. The best-fitting reservoir permeability is 3 Darcys, which is consistent with measurements made on core material from the reservoir. Best-fitting channel permeability is 26 Darcys. Finally, the ability of this simplified numerical model to forecast CO2 flow within Layer 9 is tested. Permeability recovered by modeling a suite of early seismic surveys is used to predict the CO2 distribution for a suite of later seismic surveys with a considerable degree of success. Forecasts have also been carried out that can be tested using future seismic surveys.

The Fractional Step Method Applied to Simulations of Natural Convective Flows

NASA Technical Reports Server (NTRS)

Westra, Douglas G.; Heinrich, Juan C.; Saxon, Jeff (Technical Monitor)

2002-01-01

This paper describes research done to apply the Fractional Step Method to finite-element simulations of natural convective flows in pure liquids, permeable media, and in a directionally solidified metal alloy casting. The Fractional Step Method has been applied commonly to high Reynold's number flow simulations, but is less common for low Reynold's number flows, such as natural convection in liquids and in permeable media. The Fractional Step Method offers increased speed and reduced memory requirements by allowing non-coupled solution of the pressure and the velocity components. The Fractional Step Method has particular benefits for predicting flows in a directionally solidified alloy, since other methods presently employed are not very efficient. Previously, the most suitable method for predicting flows in a directionally solidified binary alloy was the penalty method. The penalty method requires direct matrix solvers, due to the penalty term. The Fractional Step Method allows iterative solution of the finite element stiffness matrices, thereby allowing more efficient solution of the matrices. The Fractional Step Method also lends itself to parallel processing, since the velocity component stiffness matrices can be built and solved independently of each other. The finite-element simulations of a directionally solidified casting are used to predict macrosegregation in directionally solidified castings. In particular, the finite-element simulations predict the existence of 'channels' within the processing mushy zone and subsequently 'freckles' within the fully processed solid, which are known to result from macrosegregation, or what is often referred to as thermo-solutal convection. These freckles cause material property non-uniformities in directionally solidified castings; therefore many of these castings are scrapped. The phenomenon of natural convection in an alloy under-going directional solidification, or thermo-solutal convection, will be explained. The development of the momentum and continuity equations for natural convection in a fluid, a permeable medium, and in a binary alloy undergoing directional solidification will be presented. Finally, results for natural convection in a pure liquid, natural convection in a medium with a constant permeability, and for directional solidification will be presented.

Novel analytical approach to a multi-sugar whole gut permeability assay.

PubMed

van Wijck, Kim; van Eijk, Hans M H; Buurman, Wim A; Dejong, Cornelis H C; Lenaerts, Kaatje

2011-09-15

Many pathophysiological conditions are associated with increased gastrointestinal permeability, reflecting an elevated risk of endotoxaemia, inflammation, and sepsis. Permeability tests are increasingly used in clinical practice to obtain information on gastrointestinal functioning, but tests are often restricted to the small intestine, and require large oral sugar doses. Therefore, a novel multi-sugar assay was developed, allowing assessment of whole gut permeability changes in urinary and plasma samples collected at regular intervals from 10 healthy volunteers at baseline and after intake of monosaccharides (rhamnose and erythritol) and disaccharides (sucrose, lactulose, and sucralose). Samples were analyzed by isocratic cation-exchange LC-MS. Sample preparation and detection conditions were optimized. After centrifugation, chromatographic separation was achieved on an IOA-1000 column set at 30°C. Column effluent was mixed with ammonia for sugar-ammonium adduct formation. The lower limit of detection was 0.05 μmol/L for disaccharides and 0.1 μmol/L for monosaccharides. Linearity for each probe was between 1 and 1000 μmol/L (R(2): 0.9987-0.9999). Coefficients of variation were <5% in urine, and <9% in plasma. Recovery data were within the 90% to 110% range at all spiked concentrations. This highly sensitive novel LC-MS approach resulted in a significant decrease of the detection limit for all sugar probes, allowing a 5-fold reduction of the commonly used lactulose dose and the addition of sugar probes to also assess the gastroduodenal and colon permeability. In combination with its extended application in plasma, these features make the novel assay a promising tool in the assessment of site-specific changes in gastrointestinal permeability in clinical practice. Copyright © 2011 Elsevier B.V. All rights reserved.

Permeability of lipid bilayers to amino acids and phosphate

NASA Technical Reports Server (NTRS)

Chakrabarti, A. C.; Deamer, D. W.

1992-01-01

Permeability coefficients for amino acid classes, including neutral, polar, hydrophobic, and charged species, were measured and compared with values for other ionic solutes such as phosphate. The rates of efflux of glycine, lysine, phenylalanine, serine and tryptophan were determined after they were passively entrapped in large unilamellar vesicles (LUVs) composed of egg phosphatidylcholine (EPC) or dimyristoylphosphatidylcholine (DMPC). The following permeability coefficients were obtained for: glycine, 5.7 x 10(-12) cm s-1 (EPC), 2.0 x 10(-11) cm s-1 (DMPC); serine, 5.5 x 10(-12) cm s-1 (EPC), 1.6 x 10(-11) cm s-1 (DMPC); lysine, 5.1 x 10(-12) cm s-1 (EPC), 1.9 x 10(-11) cm s-1 (DMPC); tryptophan, 4.1 x 10(-10) cm s-1 (EPC); and phenylalanine, 2.5 x 10(-10) cm s-1 (EPC). Decreasing lipid chain length increased permeability slightly, while variations in pH had only minor effects on the permeability coefficients of the amino acids tested. Phosphate permeability was in the range of 10(-12)-10(-13) cm s-1 depending on the pH of the medium. The values for the polar and charged amino acids were surprisingly similar to those previously measured for monovalent cations such as sodium and potassium, which are in the range of 10(-12)-10(-13) cm s-1, depending on conditions and the lipid species used. This observation suggests that the permeation rates for the neutral, polar and charged amino acids are controlled by bilayer fluctuations and transient defects, rather than partition coefficients and Born energy barriers. The results are relevant to the permeation of certain peptides into lipid bilayers during protein translocation and membrane biogenesis.

Influence of loading and unloading velocity of confining pressure on strength and permeability characteristics of crystalline sandstone

NASA Astrophysics Data System (ADS)

Zhang, Dong-ming; Yang, Yu-shun; Chu, Ya-pei; Zhang, Xiang; Xue, Yan-guang

2018-06-01

The triaxial compression test of crystalline sandstone under different loading and unloading velocity of confining pressure is carried out by using the self-made "THM coupled with servo-controlled seepage apparatus for containing-gas coal", analyzed the strength, deformation and permeability characteristics of the sample, the results show that: with the increase of confining pressures loading-unloading velocity, Mohr's stress circle center of the specimen shift to the right, and the ultimate intensity, peak strain and residual stress of the specimens increase gradually. With the decrease of unloading velocity of confining pressure, the axial strain, the radial strain and the volumetric strain of the sample decrease first and then increases, but the radial strain decreases more greatly. The loading and unloading of confining pressure has greater influence on axial strain of specimens. The deformation modulus decreases rapidly with the increase of axial strain and the Poisson's ratio decreases gradually at the initial stage of loading. When the confining pressure is loaded, the deformation modulus decrease gradually, and the Poisson's ratio increases gradually. When the confining pressure is unloaded, the deformation modulus increase gradually, and the Poisson's ratio decreases gradually. When the specimen reaches the ultimate intensity, the deformation modulus decreases rapidly, while the Poisson's ratio increases rapidly. The fitting curve of the confining pressure and the deformation modulus and the Poisson's ratio in accordance with the distribution of quadratic polynomial function in the loading-unloading confining pressure. There is a corresponding relationship between the evolution of rock permeability and damage deformation during the process of loading and unloading. In the late stage of yielding, the permeability increases slowly, and the permeability increases sharply after the rock sample is destroyed. Fitting the permeability and confining pressure conform to the variation law of the exponential function.

Influence of the spatial distribution of cementation on the permeability and mechanical attributes of sedimentary and fault rocks

NASA Astrophysics Data System (ADS)

Mozley, P.; Yoon, H.; Williams, R. T.; Goodwin, L. B.

2015-12-01

The spatial distribution of pore-filling authigenic minerals (cements) is highly variable and controlled in large part by the mineralogy of the cements and host sediment grains. Two end-member distributions of cements that commonly occur in sedimentary material are: (1) concretionary, in which precipitation occurred in specific zones throughout the sediment, with intervening areas largely uncemented; and (2) grain-rimming, in which precipitation occurred on grain-surfaces relatively uniformly throughout the rock. Concretions form in rocks in which sediment grains have a different composition from the cement, whereas rim cements form in those that have the same composition. Both the mechanical attributes and permeability of a given volume of rock are affected to a much greater extent by grain rimming cements, which have a significant impact on properties at even low abundances. Concretionary cements have little impact on bulk properties until relatively large volumes have precipitated (~80% cemented) and concretions begin to link up. Precipitation of cement in fault zones also impacts both mechanical and hydrologic properties. Cementation will stiffen and strengthen unlithified sediment, thereby controlling the locus of fracturing in protolith or damage zones. Where fracture networks form in fault damage zones, they are initially high permeability elements. However, progressive cementation greatly diminishes fracture permeability, resulting in cyclical permeability variation linked to fault slip. To quantitatively describe the interactions of groundwater flow, permeability, and patterns and abundance of cements, we use pore-scale modeling of coupled fluid flow, reactive transport, and heterogeneous mineral-surface reactions. By exploring the effects of varying distributions of porosity and mineralogy, which impact patterns of cementation, we provide mechanistic explanations of the interactions of coupled processes under various flow and chemistry conditions.

Environmental response nanosilica for reducing the pressure of water injection in ultra-low permeability reservoirs

NASA Astrophysics Data System (ADS)

Liu, Peisong; Niu, Liyong; Li, Xiaohong; Zhang, Zhijun

2017-12-01

The super-hydrophobic silica nanoparticles are applied to alter the wettability of rock surface from water-wet to oil-wet. The aim of this is to reduce injection pressure so as to enhance water injection efficiency in low permeability reservoirs. Therefore, a new type of environmentally responsive nanosilica (denote as ERS) is modified with organic compound containing hydrophobic groups and "pinning" groups by covalent bond and then covered with a layer of hydrophilic organic compound by chemical adsorption to achieve excellent water dispersibility. Resultant ERS is homogeneously dispersed in water with a size of about 4-8 nm like a micro-emulsion system and can be easily injected into the macro or nano channels of ultra-low permeability reservoirs. The hydrophobic nanosilica core can be released from the aqueous delivery system owing to its strong dependence on the environmental variation from normal condition to injection wells (such as pH and salinity). Then the exposed silica nanoparticles form a thin layer on the surface of narrow pore throat, leading to the wettability from water-wet to oil-wet. More importantly, the two rock cores with different permeability were surface treated with ERS dispersion with a concentration of 2 g/L, exhibit great reduce of water injection pressure by 57.4 and 39.6%, respectively, which shows great potential for exploitation of crude oil from ultra-low permeability reservoirs during water flooding. [Figure not available: see fulltext.

Laboratory test investigations on soil water characteristic curve and air permeability of municipal solid waste.

PubMed

Shi, Jianyong; Wu, Xun; Ai, Yingbo; Zhang, Zhen

2018-05-01

The air permeability coefficient has a high correlation with the water content of municipal solid waste. In this study, continuous drying methodology using a tension meter was employed to construct the soil water characteristic curve of municipal solid waste (M-SWCC). The municipal solid waste air permeability test was conducted by a newly designed apparatus. The measured M-SWCC was well reproduced by the van Genuchten (V-G) model and was used to predict the parameters of typical points in M-SWCC, including saturated water content, field capacity, residual water content and water content at the inflection point. It was found that the M-SWCC was significantly influenced by void ratio. The final evaporation and test period of M-SWCC increase with the increase in void ratio of municipal solid waste. The evolution of air permeability coefficient with water content of municipal solid waste depicted three distinct characteristic stages. It was observed that the water contents that corresponded to the two cut-off points of the three stages were residual water content and water content at the inflection point, respectively. The air permeability coefficient of municipal solid waste decreased with the increase of the water content from zero to the residual water content. The air permeability coefficient was almost invariable when the water content increased from residual water content to the water content at the inflection point. When the water content of municipal solid waste exceeded the water content at the inflection point, the air permeability coefficient sharply decreased with the increase of water content.

Permeability modes in fluctuating lipid membranes with DNA-translocating pores.

PubMed

Moleiro, L H; Mell, M; Bocanegra, R; López-Montero, I; Fouquet, P; Hellweg, Th; Carrascosa, J L; Monroy, F

2017-09-01

Membrane pores can significantly alter not only the permeation dynamics of biological membranes but also their elasticity. Large membrane pores able to transport macromolecular contents represent an interesting model to test theoretical predictions that assign active-like (non-equilibrium) behavior to the permeability contributions to the enhanced membrane fluctuations existing in permeable membranes [Maneville et al. Phys. Rev. Lett. 82, 4356 (1999)]. Such high-amplitude active contributions arise from the forced transport of solvent and solutes through the open pores, which becomes even dominant at large permeability. In this paper, we present a detailed experimental analysis of the active shape fluctuations that appear in highly permeable lipid vesicles with large macromolecular pores inserted in the lipid membrane, which are a consequence of transport permeability events occurred in an osmotic gradient. The experimental results are found in quantitative agreement with theory, showing a remarkable dependence with the density of membrane pores and giving account of mechanical compliances and permeability rates that are compatible with the large size of the membrane pore considered. The presence of individual permeation events has been detected in the fluctuation time-series, from which a stochastic distribution of the permeation events compatible with a shot-noise has been deduced. The non-equilibrium character of the membrane fluctuations in a permeation field, even if the membrane pores are mere passive transporters, is clearly demonstrated. Finally, a bio-nano-technology outlook of the proposed synthetic concept is given on the context of prospective uses as active membrane DNA-pores exploitable in gen-delivery applications based on lipid vesicles. Copyright © 2017 Elsevier B.V. All rights reserved.

Numerical modelling of fault reactivation in carbonate rocks under fluid depletion conditions - 2D generic models with a small isolated fault

NASA Astrophysics Data System (ADS)

Zhang, Yanhua; Clennell, Michael B.; Delle Piane, Claudio; Ahmed, Shakil; Sarout, Joel

2016-12-01

This generic 2D elastic-plastic modelling investigated the reactivation of a small isolated and critically-stressed fault in carbonate rocks at a reservoir depth level for fluid depletion and normal-faulting stress conditions. The model properties and boundary conditions are based on field and laboratory experimental data from a carbonate reservoir. The results show that a pore pressure perturbation of -25 MPa by depletion can lead to the reactivation of the fault and parts of the surrounding damage zones, producing normal-faulting downthrows and strain localization. The mechanism triggering fault reactivation in a carbonate field is the increase of shear stresses with pore-pressure reduction, due to the decrease of the absolute horizontal stress, which leads to an expanded Mohr's circle and mechanical failure, consistent with the predictions of previous poroelastic models. Two scenarios for fault and damage-zone permeability development are explored: (1) large permeability enhancement of a sealing fault upon reactivation, and (2) fault and damage zone permeability development governed by effective mean stress. In the first scenario, the fault becomes highly permeable to across- and along-fault fluid transport, removing local pore pressure highs/lows arising from the presence of the initially sealing fault. In the second scenario, reactivation induces small permeability enhancement in the fault and parts of damage zones, followed by small post-reactivation permeability reduction. Such permeability changes do not appear to change the original flow capacity of the fault or modify the fluid flow velocity fields dramatically.

Novel Fluorescein Angiography-Based Computer-Aided Algorithm for Assessment of Retinal Vessel Permeability

PubMed Central

Chassidim, Yoash; Parmet, Yisrael; Tomkins, Oren; Knyazer, Boris; Friedman, Alon; Levy, Jaime

2013-01-01

Purpose To present a novel method for quantitative assessment of retinal vessel permeability using a fluorescein angiography-based computer algorithm. Methods Twenty-one subjects (13 with diabetic retinopathy, 8 healthy volunteers) underwent fluorescein angiography (FA). Image pre-processing included removal of non-retinal and noisy images and registration to achieve spatial and temporal pixel-based analysis. Permeability was assessed for each pixel by computing intensity kinetics normalized to arterial values. A linear curve was fitted and the slope value was assigned, color-coded and displayed. The initial FA studies and the computed permeability maps were interpreted in a masked and randomized manner by three experienced ophthalmologists for statistical validation of diagnosis accuracy and efficacy. Results Permeability maps were successfully generated for all subjects. For healthy volunteers permeability values showed a normal distribution with a comparable range between subjects. Based on the mean cumulative histogram for the healthy population a threshold (99.5%) for pathological permeability was determined. Clear differences were found between patients and healthy subjects in the number and spatial distribution of pixels with pathological vascular leakage. The computed maps improved the discrimination between patients and healthy subjects, achieved sensitivity and specificity of 0.974 and 0.833 respectively, and significantly improved the consensus among raters for the localization of pathological regions. Conclusion The new algorithm allows quantification of retinal vessel permeability and provides objective, more sensitive and accurate evaluation than the present subjective clinical diagnosis. Future studies with a larger patients’ cohort and different retinal pathologies are awaited to further validate this new approach and its role in diagnosis and treatment follow-up. Successful evaluation of vasculature permeability may be used for the early diagnosis of brain microvascular pathology and potentially predict associated neurological sequelae. Finally, the algorithm could be implemented for intraoperative evaluation of micovascular integrity in other organs or during animal experiments. PMID:23626701

A Model System for Predicting Drug Penetration thru Decayed Dentin into Inflamed Pulps

DTIC Science & Technology

1991-01-09

Proceedings USA Science Conference. HALDI, J. and WYNN, W. (1963): Protein Fractions of the Blood Plasma and Dentinal Pulpal Fluid of the Dog , J Dent Res 42...PASHLEY, D.; KEHL, T.; PASHLEY, E.; and PALMER, P. (19 8 1b): Comparison of In Vitro and In Vivo Dog Dentin Permeability, 3 Dent Res 60(3):763-768. PASHLEY...KEPLER, E.; WILLIAMS and OKABE, A. (1983 ): The Effects of Acid Etching on The In Vivo Permeability of Dentin in the Dog , Archs Oral Biol 28(7):555

The effect of disseminated ironsands on the spectral induced polarization response of New Zealand sands

NASA Astrophysics Data System (ADS)

Ingham, Malcolm

2018-01-01

The effect of naturally occurring ironsand on the spectral induced polarization response of shallow aquifer sands has been investigated. Laboratory measurements on mixtures of a low polarization silica sand with different proportions of ironsand characterize the main effect of an increasing proportion of ironsand as a lowering of the frequency at which the high frequency SIP phase starts to rise significantly. This ultimately obscures any low frequency polarization which might be related to the hydraulic properties of the sample. The measurements can be successfully modelled using the Maxwell-Clausius-Mossotti relationship and this has also been used to predict the expected SIP response of naturally occurring sands with different concentrations of ironsand. Modelling of these calculated responses using a Cole-Cole model suggests that the low frequency polarization time constant can be well resolved up to mass concentrations of ironsand of between 5 and 10%. The implications of this for the ability of SIP measurements to accurately map permeability variations in shallow aquifers are discussed.

Inductance optimization of miniature Broadband transformers with racetrack shaped ferrite cores for Ethernet applications

NASA Astrophysics Data System (ADS)

Bowen, David; Krafft, Charles; Mayergoyz, Isaak D.

2017-05-01

There is strong commercial interest in the ability to fabricate the windings of traditional miniature wire-wound inductive circuit components, such as Ethernet transformers, lithographically. For greater inductance devices, thick cores are required, making the process of embedding the ferrite material within circuit board one of few options for lithographic winding fabrication. In this paper, a non-traditional core shape, suitable for embedding in circuit board, is examined analytically and experimentally; the racetrack shape is two halves of a toroid connected by straight legs. With regard to the high inductance requirements for Ethernet applications (350μH), the racetrack transformer inductance is analytically optimized, determining the optimal physical dimensions. Two sizes of racetrack-core transformers were fabricated and measured. The measured inductance was in reasonable agreement with the analytical prediction, though large variations in material permeability are expected from the mechanical processing of the ferrite. Some of the experimental transformers were observed to satisfy the Ethernet inductance requirement.

Fault reactivation by fluid injection considering permeability evolution in fault-bordering damage zones

NASA Astrophysics Data System (ADS)

Yang, Z.; Yehya, A.; Rice, J. R.; Yin, J.

2017-12-01

Earthquakes can be induced by human activity involving fluid injection, e.g., as wastewater disposal from hydrocarbon production. The occurrence of such events is thought to be, mainly, due to the increase in pore pressure, which reduces the effective normal stress and hence the strength of a nearby fault. Change in subsurface stress around suitably oriented faults at near-critical stress states may also contribute. We focus on improving the modeling and prediction of the hydro-mechanical response due to fluid injection, considering the full poroelastic effects and not solely changes in pore pressure in a rigid host. Thus we address the changes in porosity and permeability of the medium due to the changes in the local volumetric strains. Our results also focus on including effects of the fault architecture (low permeability fault core and higher permeability bordering damage zones) on the pressure diffusion and the fault poroelastic response. Field studies of faults have provided a generally common description for the size of their bordering damage zones and how they evolve along their direction of propagation. Empirical laws, from a large number of such observations, describe their fracture density, width, permeability, etc. We use those laws and related data to construct our study cases. We show that the existence of high permeability damage zones facilitates pore-pressure diffusion and, in some cases, results in a sharp increase in pore-pressure at levels much deeper than the injection wells, because these regions act as conduits for fluid pressure changes. This eventually results in higher seismicity rates. By better understanding the mechanisms of nucleation of injection-induced seismicity, and better predicting the hydro-mechanical response of faults, we can assess methodologies and injection strategies to avoid risks of high magnitude seismic events. Microseismic events occurring after the start of injection are very important indications of when injection should be stopped and how to avoid major events. Our work contributes to the assessment or mitigation of seismic hazard and risk, and our long-term target question is: How to not make an earthquake?

Redefining fluids relative permeability for reservoir sands. (Osland oil and gas field, offshore Niger Delta, Nigeria)

NASA Astrophysics Data System (ADS)

Richardson, M. A.-A.; Taioli, F.

2018-06-01

Redefining oil and water relative permeability for the evaluation of reservoir sands, a case study of Osland oil and gas field, Offshore Niger Delta, Nigeria has been carried out. The aim of this study is to modify water relative permeability (Kwr) and oil relative permeability (Kor) equations in sandstone units. The objectives are to provide alternative expressions for Kwr and Kor in sandstone units, use the equations as inputs in a simplified water cut (Cw) equation to predict the volume of water that will be associated with the recoverable volume of oil (VRo) in penetrated reservoirs. The relationship between porosity (Φ) and water saturation (Sw) , with the relationship between porosity and hydrocarbon saturation ( Sh), were used to evaluate KWr and Kor in order to predict Cw in the selected reservoirs. Reservoir X in Well D1 shows about 2.0 ×106bbl for VRo and 18.78% for Cw but in D2 it shows about 7.4 ×106bbl and 1.73% for VRo and Cw respectively. Similarly, in Reservoir Y, D1 has about 6.8 ×106bbl of VRo and 0.034% of Cw , but in D2 it has about 9.3 ×106 bbl of VRo and 0.015% of Cw . The results suggest that high Φ with corresponding high Sw resulted in high associated Cw in Reservoir X. The evaluation also confirmed that the decrease in the ratio of oil relative permeability to water relative permeability (Kor /Kwr) corresponds to the increase in Cw . The total recoverable volumes of hydrocarbons from the two wells are estimated at 7.7 ×109cu .ft for gas and at 2.54 ×107bbl for oil. With the present conditions of the two reservoirs, the values of Cw in Reservoir X are low and are extremely low and negligible in Reservoir Y. Reservoir X in Well D1 has a smaller volume of VRo but the Cw is higher than others. Nonetheless, the Cw in Reservoir X is still within acceptable range.

Effects of cyclic flexure on endothelial permeability and apoptosis in arterial segments perfused ex vivo.

PubMed

Van Epps, J Scott; Chew, Douglas W; Vorp, David A

2009-10-01

Certain arteries (e.g., coronary, femoral, etc.) are exposed to cyclic flexure due to their tethering to surrounding tissue beds. It is believed that such stimuli result in a spatially variable biomechanical stress distribution, which has been implicated as a key modulator of remodeling associated with atherosclerotic lesion localization. In this study we utilized a combined ex vivo experimental/computational methodology to address the hypothesis that local variations in shear and mural stress associated with cyclic flexure influence the distribution of early markers of atherogenesis. Bilateral porcine femoral arteries were surgically harvested and perfused ex vivo under pulsatile arterial conditions. One of the paired vessels was exposed to cyclic flexure (0-0.7 cm(-1)) at 1 Hz for 12 h. During the last hour, the perfusate was supplemented with Evan's blue dye-labeled albumin. A custom tissue processing protocol was used to determine the spatial distribution of endothelial permeability, apoptosis, and proliferation. Finite element and computational fluid dynamics techniques were used to determine the mural and shear stress distributions, respectively, for each perfused segment. Biological data obtained experimentally and mechanical stress data estimated computationally were combined in an experiment-specific manner using multiple linear regression analyses. Arterial segments exposed to cyclic flexure had significant increases in intimal and medial apoptosis (3.42+/-1.02 fold, p=0.029) with concomitant increases in permeability (1.14+/-0.04 fold, p=0.026). Regression analyses revealed specific mural stress measures including circumferential stress at systole, and longitudinal pulse stress were quantitatively correlated with the distribution of permeability and apoptosis. The results demonstrated that local variation in mechanical stress in arterial segments subjected to cyclic flexure indeed influence the extent and spatial distribution of the early atherogenic markers. In addition, the importance of including mural stresses in the investigation of vascular mechanopathobiology was highlighted. Specific example results were used to describe a potential mechanism by which systemic risk factors can lead to a heterogeneous disease.

Analytical Solution for Time-drawdown Response to Constant Pumping from a Homogeneous, Confined Horizontal Aquifer with Unidirectional Flow

NASA Astrophysics Data System (ADS)

Parrish, K. E.; Zhang, J.; Teasdale, E.

2007-12-01

An exact analytical solution to the ordinary one-dimensional partial differential equation is derived for transient groundwater flow in a homogeneous, confined, horizontal aquifer using Laplace transformation. The theoretical analysis is based on the assumption that the aquifer is homogeneous and one-dimensional (horizontal); confined between impermeable formations on top and bottom; and of infinite horizontal extent and constant thickness. It is also assumed that there is only a single pumping well penetrating the entire aquifer; flow is everywhere horizontal within the aquifer to the well; the well is pumping with a constant discharge rate; the well diameter is infinitesimally small; and the hydraulic head is uniform throughout the aquifer before pumping. Similar to the Theis solution, this solution is suited to determine transmissivity and storativity for a two- dimensional, vertically confined aquifer, such as a long vertically fractured zone of high permeability within low permeable rocks or a long, high-permeability trench inside a low-permeability porous media. In addition, it can be used to analyze time-drawdown responses to pumping and injection in similar settings. The solution can also be used to approximate the groundwater flow for unconfined conditions if (1) the variation of transmissivity is negligible (groundwater table variation is small in comparison to the saturated thickness); and (2) the unsaturated flow is negligible. The errors associated with the use of the solution to unconfined conditions depend on the accuracies of the above two assumptions. The solution can also be used to assess the impacts of recharge from a seasonal river or irrigation canal on the groundwater system by assuming uniform, time- constant recharge along the river or canal. This paper presents the details for derivation of the analytical solution. The analytical solution is compared to numerical simulation results with example cases. Its accuracy is also assessed and discussed for confined and unconfined conditions.

In silico predictions of gastrointestinal drug absorption in pharmaceutical product development: application of the mechanistic absorption model GI-Sim.

PubMed

Sjögren, Erik; Westergren, Jan; Grant, Iain; Hanisch, Gunilla; Lindfors, Lennart; Lennernäs, Hans; Abrahamsson, Bertil; Tannergren, Christer

2013-07-16

Oral drug delivery is the predominant administration route for a major part of the pharmaceutical products used worldwide. Further understanding and improvement of gastrointestinal drug absorption predictions is currently a highly prioritized area of research within the pharmaceutical industry. The fraction absorbed (fabs) of an oral dose after administration of a solid dosage form is a key parameter in the estimation of the in vivo performance of an orally administrated drug formulation. This study discloses an evaluation of the predictive performance of the mechanistic physiologically based absorption model GI-Sim. GI-Sim deploys a compartmental gastrointestinal absorption and transit model as well as algorithms describing permeability, dissolution rate, salt effects, partitioning into micelles, particle and micelle drifting in the aqueous boundary layer, particle growth and amorphous or crystalline precipitation. Twelve APIs with reported or expected absorption limitations in humans, due to permeability, dissolution and/or solubility, were investigated. Predictions of the intestinal absorption for different doses and formulations were performed based on physicochemical and biopharmaceutical properties, such as solubility in buffer and simulated intestinal fluid, molecular weight, pK(a), diffusivity and molecule density, measured or estimated human effective permeability and particle size distribution. The performance of GI-Sim was evaluated by comparing predicted plasma concentration-time profiles along with oral pharmacokinetic parameters originating from clinical studies in healthy individuals. The capability of GI-Sim to correctly predict impact of dose and particle size as well as the in vivo performance of nanoformulations was also investigated. The overall predictive performance of GI-Sim was good as >95% of the predicted pharmacokinetic parameters (C(max) and AUC) were within a 2-fold deviation from the clinical observations and the predicted plasma AUC was within one standard deviation of the observed mean plasma AUC in 74% of the simulations. GI-Sim was also able to correctly capture the trends in dose- and particle size dependent absorption for the study drugs with solubility and dissolution limited absorption, respectively. In addition, GI-Sim was also shown to be able to predict the increase in absorption and plasma exposure achieved with nanoformulations. Based on the results, the performance of GI-Sim was shown to be suitable for early risk assessment as well as to guide decision making in pharmaceutical formulation development. Copyright © 2013 Elsevier B.V. All rights reserved.

Kinetics of Water Loss from Cells at Subzero Temperatures and the Likelihood of Intracellular Freezing

PubMed Central

Mazur, Peter

1963-01-01

The survival of various cells subjected to low temperature exposure is higher when they are cooled slowly. This increase is consistent with the view that slow cooling decreases the probability of intracellular freezing by permitting water to leave the cell rapidly enough to keep the protoplasm at its freezing point. The present study derives a quantitative relation between the amount of water in a cell and temperature. The relation is a differential equation involving cooling rate, surface-volume ratio, membrane permeability to water, and the temperature coefficient of the permeability constant. Numerical solutions to this equation give calculated water contents which permit predictions as to the likelihood of intracellular ice formation. Both the calculated water contents and the predictions on internal freezing are consistent with the experimental observations of several investigators. PMID:14085017

Numerical Modeling, Thermomechanical Testing, and NDE Procedures for Prediction of Microcracking Induced Permeability of Cryogenic Composites

NASA Technical Reports Server (NTRS)

Noh, Jae; Whitcomb, John; Oh, Bongtaek; Lagoudas, Dimitris; Maslov, Konstatin; Ganpatyre, Atul; Kinra, Vikram

2003-01-01

Reusable Space Vehicles will include light cryogenic composite fuel tanks that must not leak excessively even after multiple launches. Damage in cryogenic composite fuel tanks induced during manufacturing and advanced by thermomechanical cycling can accelerate leakage of the propellant. Whether the leakage exceeds tolerable levels depends on many factors, including pressure gradients, microcrack density, other damage such as delamination, connectivity of the cracks, residual stresses from manufacture, service-induced stresses from thermal and mechanical loads, and composite lay-up. Although it is critical to experimentally characterize permeability during various thermal and mechanical load histories, optimal design depends on having analytical models that can predict the effect of various parameters on performance. Our broad goal is to develop such models that are experimentally validated by destructive and non-destructive evaluation means.

An ex vivo investigation into the transurothelial permeability and bladder wall distribution of the nonsteroidal anti-inflammatory ketorolac.

PubMed

Williams, Nicholas A; Bowen, Jenna L; Al-Jayyoussi, Ghaith; Gumbleton, Mark; Allender, Chris J; Li, Jamie; Harrah, Tim; Raja, Aditya; Joshi, Hrishi B

2014-03-03

Transurothelial drug delivery continues to be an attractive treatment option for a range of urological conditions; however, dosing regimens remain largely empirical. Recently, intravesical delivery of the nonsteroidal anti-inflammatory ketorolac has been shown to significantly reduce ureteral stent-related pain. While this latest development provides an opportunity for advancing the management of stent-related pain, clinical translation will undoubtedly require an understanding of the rate and extent of delivery of ketorolac into the bladder wall. Using an ex vivo porcine model, we evaluate the urothelial permeability and bladder wall distribution of ketorolac. The subsequent application of a pharmacokinetic (PK) model enables prediction of concentrations achieved in vivo. Ketorolac was applied to the urothelium and a transurothelial permeability coefficient (Kp) calculated. Relative drug distribution into the bladder wall after 90 min was determined. Ketorolac was able to permeate the urothelium (Kp = 2.63 × 10(-6) cm s(-1)), and after 90 min average concentrations of 400, 141 and 21 μg g(-1) were achieved in the urothelium, lamina propria and detrusor respectively. An average concentration of 87 μg g(-1) was achieved across the whole bladder wall. PK simulations (STELLA) were then carried out, using ex vivo values for Kp and muscle/saline partition coefficient (providing an estimation of vascular clearance), to predict 90 min in vivo ketorolac tissue concentrations. When dilution of the drug solution with urine and vascular clearance were taken into account, a reduced ketorolac concentration of 37 μg g(-1) across the whole bladder wall was predicted. These studies reveal crucial information about the urothelium's permeability to agents such as ketorolac and the concentrations achievable in the bladder wall. It would appear that levels of ketorolac delivered to the bladder wall intravesically would be sufficient to provide an anti-inflammatory effect. The combination of such ex vivo data and PK modeling provides an insight into the likelihood of achieving clinically relevant concentrations of drug following intravesical administration.

The ring-shaped thermal field of Stefanos crater, Nisyros Island: a conceptual model

NASA Astrophysics Data System (ADS)

Pantaleo, M.; Walter, T. R.

2013-11-01

Fumarole fields related to hydrothermal processes release the heat of the underground through permeable pathways. Thermal changes, therefore, are likely to depend also on the variation of these pathways. As these paths may affect or even control the temperature field at the surface, their understanding is relevant to applied and basic science alike. A common difficulty, however, in surface temperature field studies at active volcanoes is that the parameters controlling the ascending routes of fluids are poorly constrained in general. Here we analyze the crater of Stefanos, Nisyros (Greece), and highlight complexities in the spatial pattern of the fumarole field related to permeability conditions. There may be different explanations for the observed permeability changes, such as structural control, lithology, weathering, and heterogeneous sediment accumulation and erosion. We combine high resolution infrared mosaics and grain-size analysis of soils, aiming to elaborate parameters controlling the appearance of the fumarole field. We find a ring-shaped thermal field located within the explosion crater, which is dependent on contrasts of the soil granulometry and volcanotectonic history. We develop a conceptual model of how the ring-shaped thermal field has formed at the Stefanos crater and similarly at other volcanic edifices, highlighting the importance of local permeability contrast that may increase or decrease the thermal fluid flux.

Evaluation of the suitability of chromatographic systems to predict human skin permeation of neutral compounds.

PubMed

Hidalgo-Rodríguez, Marta; Soriano-Meseguer, Sara; Fuguet, Elisabet; Ràfols, Clara; Rosés, Martí

2013-12-18

Several chromatographic systems (three systems of high-performance liquid chromatography and two micellar electrokinetic chromatography systems) besides the reference octanol-water partition system are evaluated by a systematic procedure previously proposed in order to know their ability to model human skin permeation. The precision achieved when skin-water permeability coefficients are correlated against chromatographic retention factors is predicted within the framework of the solvation parameter model. It consists in estimating the contribution of error due to the biological and chromatographic data, as well as the error coming from the dissimilarity between the human skin permeation and the chromatographic systems. Both predictions and experimental tests show that all correlations are greatly affected by the considerable uncertainty of the skin permeability data and the error associated to the dissimilarity between the systems. Correlations with much better predictive abilities are achieved when the volume of the solute is used as additional variable, which illustrates the main roles of both lipophilicity and size of the solute to penetrate through the skin. In this way, the considered systems are able to give precise estimations of human skin permeability coefficients. In particular, the HPLC systems with common C18 columns provide the best performances in emulating the permeation of neutral compounds from aqueous solution through the human skin. As a result, a methodology based on easy, fast, and economical HPLC measurements in a common C18 column has been developed. After a validation based on training and test sets, the method has been applied with good results to the estimation of skin permeation of several hormones and pesticides. Copyright © 2013 Elsevier B.V. All rights reserved.

Permeability Surface of Deep Middle Cerebral Artery Territory on Computed Tomographic Perfusion Predicts Hemorrhagic Transformation After Stroke.

PubMed

Li, Qiao; Gao, Xinyi; Yao, Zhenwei; Feng, Xiaoyuan; He, Huijin; Xue, Jing; Gao, Peiyi; Yang, Lumeng; Cheng, Xin; Chen, Weijian; Yang, Yunjun

2017-09-01

Permeability surface (PS) on computed tomographic perfusion reflects blood-brain barrier permeability and is related to hemorrhagic transformation (HT). HT of deep middle cerebral artery (MCA) territory can occur after recanalization of proximal large-vessel occlusion. We aimed to determine the relationship between HT and PS of deep MCA territory. We retrospectively reviewed 70 consecutive acute ischemic stroke patients presenting with occlusion of the distal internal carotid artery or M1 segment of the MCA. All patients underwent computed tomographic perfusion within 6 hours after symptom onset. Computed tomographic perfusion data were postprocessed to generate maps of different perfusion parameters. Risk factors were identified for increased deep MCA territory PS. Receiver operating characteristic curve analysis was performed to calculate the optimal PS threshold to predict HT of deep MCA territory. Increased PS was associated with HT of deep MCA territory. After adjustments for age, sex, onset time to computed tomographic perfusion, and baseline National Institutes of Health Stroke Scale, poor collateral status (odds ratio, 7.8; 95% confidence interval, 1.67-37.14; P =0.009) and proximal MCA-M1 occlusion (odds ratio, 4.12; 95% confidence interval, 1.03-16.52; P =0.045) were independently associated with increased deep MCA territory PS. Relative PS most accurately predicted HT of deep MCA territory (area under curve, 0.94; optimal threshold, 2.89). Increased PS can predict HT of deep MCA territory after recanalization therapy for cerebral proximal large-vessel occlusion. Proximal MCA-M1 complete occlusion and distal internal carotid artery occlusion in conjunction with poor collaterals elevate deep MCA territory PS. © 2017 American Heart Association, Inc.

Assessment of critical path analyses of the relationship between permeability and electrical conductivity of pore networks

NASA Astrophysics Data System (ADS)

Skaggs, Todd H.

2011-10-01

Critical path analysis (CPA) is a method for estimating macroscopic transport coefficients of heterogeneous materials that are highly disordered at the micro-scale. Developed originally to model conduction in semiconductors, numerous researchers have noted that CPA might also have relevance to flow and transport processes in porous media. However, the results of several numerical investigations of critical path analysis on pore network models raise questions about the applicability of CPA to porous media. Among other things, these studies found that (i) in well-connected 3D networks, CPA predictions were inaccurate and became worse when heterogeneity was increased; and (ii) CPA could not fully explain the transport properties of 2D networks. To better understand the applicability of CPA to porous media, we made numerical computations of permeability and electrical conductivity on 2D and 3D networks with differing pore-size distributions and geometries. A new CPA model for the relationship between the permeability and electrical conductivity was found to be in good agreement with numerical data, and to be a significant improvement over a classical CPA model. In sufficiently disordered 3D networks, the new CPA prediction was within ±20% of the true value, and was nearly optimal in terms of minimizing the squared prediction errors across differing network configurations. The agreement of CPA predictions with 2D network computations was similarly good, although 2D networks are in general not well-suited for evaluating CPA. Numerical transport coefficients derived for regular 3D networks of slit-shaped pores were found to be in better agreement with experimental data from rock samples than were coefficients derived for networks of cylindrical pores.

Complex resistivity spectra in relation to multiscale pore geometry in carbonates and mixed-siliciclastic rocks

NASA Astrophysics Data System (ADS)

Norbisrath, Jan Henrik

Carbonate rocks are known to have complex and heterogeneous pore structures, which result from their biogenic origin and strong affinity for diagenetic processes that change their pore structure after burial. The combination of sheer endless variations of precursor biogenic material, depositional environments, and diagenetic effects results in rocks that are interesting to study but intricate to understand. Many schemes to categorize the diversity of carbonate rocks are in use today; most are based on the macropore structure and qualitative thin-section analysis. Many studies, however, acknowledge that micropores have a significant influence on the macroscopic petrophysical rock properties, which are essential to determine reservoir quality. Micropores are, by definition, smaller than the thickness of a thin-section (< 30 microm) and hence cannot be quantified with conventional methods. For their analysis, scanning electron microscopy (SEM) is the logical next step. The challenge is that mechanical polishing methods produce excessive surface roughness at micron scale; the resulting surfaces are not suited for quantification of micropores. Advances in broad-ion-beam (BIB) milling enable preparation of nanometer-precision 2D sections that are suited for quantitative analysis with the SEM. To accomplish the objective of accurate quantification of carbonate micropores, part one of this dissertation employs the BIB-SEM technique on a variety of carbonate rock samples and finds four major carbonate microporosity types: (1) small intercrystalline, (2) large inter-crystalline, (3) intercement, and (4) micromoldic. Each microporosity type shows a distinct capacity to conduct electrical charge, which largely controls the magnitude and range of cementation factors (m) in rocks with such microporosity type. The BIB-SEM method is also used on a dataset of mixed carbonate-siliciclastic (mudrock) samples with high kerogen and pyrite content. Results show that the nanopore geometry here has little influence on cementation factors, and instead porosity is the main control on m in mudrocks. Cementation factors are crucial for estimates of oil-in-place and water saturation in a wireline application, and a slight change of (assumed) cementation factor can change the interpreter's evaluation from dry hole to discovery. Therefore, accurate determination of cementation factors is a critical task in formation evaluation, similar to accurate estimates of permeability. To achieve this goal, this dissertation utilizes a new approach of using complex resistivity spectra (CRS) to assess the pore geometry and its resulting electrical and fluid flow properties. Specifically, frequency dispersion of complex resistivity in the kHz range is used as input for a new model to predict cementation factor and permeability in a wide variety of core plug samples. The underlying concept that relates CRS to flow properties is that both are related to pore geometry. CRS are linked to pore geometry by interfacial polarization effects at the fluid-rock boundary that control the phase and amplitude shift of an applied alternating current. Larger interfacial area results in higher phase shifts, but also indicates a more intricate pore structure that often results in lower permeability and higher cementation factors. The findings from this dissertation imply that (1) the CRS prediction method greatly improves estimates of cementation factors and permeability in carbonate, dolomite, and mixed siliciclastic rocks, (2) there are at least four distinct microporosity types in carbonate rocks, which have great impact on cementation factors and permeability, (3) nanopore geometry has a small impact on electrical flow properties in mudrocks where the main control on cementation factors is porosity, and (4) all sedimentary limestone and mixed carbonate-siliciclastic rocks have power law pore size distributions.

The prediction of human skin responses by using the combined in vitro fluorescein leakage/Alamar Blue (resazurin) assay.

PubMed

Clothier, Richard; Starzec, Gemma; Pradel, Lionel; Baxter, Victoria; Jones, Melanie; Cox, Helen; Noble, Linda

2002-01-01

A range of cosmetics formulations with human patch-test data were supplied in a coded form, for the examination of the use of a combined in vitro permeability barrier assay and cell viability assay to generate, and then test, a prediction model for assessing potential human skin patch-test results. The target cells employed were of the Madin Darby canine kidney cell line, which establish tight junctions and adherens junctions able to restrict the permeability of sodium fluorescein across the barrier of the confluent cell layer. The prediction model for interpretation of the in vitro assay results included initial effects and the recovery profile over 72 hours. A set of the hand-wash, surfactant-based formulations were tested to generate the prediction model, and then six others were evaluated. The model system was then also evaluated with powder laundry detergents and hand moisturisers: their effects were predicted by the in vitro test system. The model was under-predictive for two of the ten hand-wash products. It was over-predictive for the moisturisers, (two out of six) and eight out of ten laundry powders. However, the in vivo human patch test data were variable, and 19 of the 26 predictions were correct or within 0.5 on the 0-4.0 scale used for the in vivo scores, i.e. within the same variable range reported for the repeat-test hand-wash in vivo data.

Impact of pore space topology on permeability, cut-off frequencies and validity of wave propagation theories

NASA Astrophysics Data System (ADS)

Sarout, Joël.

2012-04-01

For the first time, a comprehensive and quantitative analysis of the domains of validity of popular wave propagation theories for porous/cracked media is provided. The case of a simple, yet versatile rock microstructure is detailed. The microstructural parameters controlling the applicability of the scattering theories, the effective medium theories, the quasi-static (Gassmann limit) and dynamic (inertial) poroelasticity are analysed in terms of pores/cracks characteristic size, geometry and connectivity. To this end, a new permeability model is devised combining the hydraulic radius and percolation concepts. The predictions of this model are compared to published micromechanical models of permeability for the limiting cases of capillary tubes and penny-shaped cracks. It is also compared to published experimental data on natural rocks in these limiting cases. It explicitly accounts for pore space topology around the percolation threshold and far above it. Thanks to this permeability model, the scattering, squirt-flow and Biot cut-off frequencies are quantitatively compared. This comparison leads to an explicit mapping of the domains of validity of these wave propagation theories as a function of the rock's actual microstructure. How this mapping impacts seismic, geophysical and ultrasonic wave velocity data interpretation is discussed. The methodology demonstrated here and the outcomes of this analysis are meant to constitute a quantitative guide for the selection of the most suitable modelling strategy to be employed for prediction and/or interpretation of rocks elastic properties in laboratory-or field-scale applications when information regarding the rock's microstructure is available.

A level-set procedure for the design of electromagnetic metamaterials.

PubMed

Zhou, Shiwei; Li, Wei; Sun, Guangyong; Li, Qing

2010-03-29

Achieving negative permittivity and negative permeability signifies a key topic of research in the design of metamaterials. This paper introduces a level-set based topology optimization method, in which the interface between the vacuum and metal phases is implicitly expressed by the zero-level contour of a higher dimensional level-set function. Following a sensitivity analysis, the optimization maximizes the objective based on the normal direction of the level-set function and induced current flow, thereby generating the desirable patterns of current flow on metal surface. As a benchmark example, the U-shaped structure and its variations are obtained from the level-set topology optimization. Numerical examples demonstrate that both negative permittivity and negative permeability can be attained.

Dentinal permeation modeling

NASA Astrophysics Data System (ADS)

Trunina, Natalia; Derbov, Vladimir; Tuchin, Valery; Altshuler, Gregory

2008-06-01

Dentinal permeation is of interest in a wide context of tooth care and treatment, in particular, tooth color improvement using combination of chemical whitening agents and light activation. A simple model of dentinal permeation accounting for the morphology of human tooth dentine and including dentinal tubules, more dense and homogeneous peritubular dentine, and less dense and less homogeneous intertubular dentin is proposed. Calculation of permeability of dentine layer is carried out for H IIO and H IIO II versus the tubule diameter and tubule density taken from the microphotograph analysis. This opens the possibility to calculate the distribution of permeability over the tooth surface taking into account the variations of tubule diameter and density as well as those of the diffusion coefficients and layer thickness

Parameterization and Modeling of Coupled Heat and Mass Transport in the Vadose Zone

NASA Astrophysics Data System (ADS)

Mohanty, B.; Yang, Z.

2016-12-01

The coupled heat and mass transport in the vadose zone is essentially a multiphysics issue. Addressing this issue appropriately has remarkable impacts on soil physical, chemical and biological processes. To data, most coupled heat and water transport modeling has focused on the interactions between liquid water, water vapor and heat transport in homogeneous and layered soils. Comparatively little work has been done on structured soils where preferential infiltration and evaporation flow occurs. Moreover, the traditional coupled heat and water model usually neglects the nonwetting phase air flow, which was found to be significant in the state-of-the-art modeling framework for coupled heat and water transport investigation. However, the parameterizations for the nonwetting phase air permeability largely remain elusive so far. In order to address the above mentioned limitations, this study aims to develop and validate a predictive multiphysics modeling framework for coupled soil heat and water transport in the heterogeneous shallow subsurface. To this end, the following research work is specifically conducted: (a) propose an improved parameterization to better predict the nonwetting phase relative permeability; (b) determine the dynamics, characteristics and processes of simultaneous soil moisture and heat movement in homogeneous and layered soils; and (c) develop a nonisothermal dual permeability model for heterogeneous structured soils. The results of our studies showed that: (a) the proposed modified nonwetting phase relative permeability models are much more accurate, which can be adopted for better parameterization in the subsequent nonisothermal two phase flow models; (b) the isothermal liquid film flow, nonwetting phase gas flow and liquid-vapor phase change non-equilibrium effects are significant in the arid and semiarid environments (Riverside, California and Audubon, Arizona); and (c) the developed nonisothermal dual permeability model is capable of characterizing the preferential evaporation path in the heterogeneous structured soils due to the fact that the capillary forces divert the pore water from coarse-textured soils (high temperature region) toward the fine-textured soils (low temperature region).

Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles.

PubMed

Comer, Jeffrey; Schulten, Klaus; Chipot, Christophe

2017-06-13

Computational prediction of membrane permeability to small molecules requires accurate description of both the thermodynamics and kinetics underlying translocation across the lipid bilayer. In this contribution, well-converged, microsecond-long free-energy calculations are combined with a recently developed subdiffusive kinetics framework to describe the membrane permeation of a homologous series of short-tail alcohols, from methanol to 1-butanol, with unprecedented fidelity to the underlying molecular models. While the free-energy profiles exhibit barriers for passage through the center of the bilayer in all cases, the height of these barriers decreases with the length of the aliphatic chain of the alcohol, in quantitative agreement with experimentally determined differential solvation free energies in water and oil. A unique aspect of the subdiffusive model employed herein, which was developed in a previous article, is the determination of a position-dependent fractional order which quantifies the degree to which the motion of the alcohol deviates from classical diffusion along the thickness of the membrane. In the aqueous medium far from the bilayer, this quantity approaches 1.0, the asymptotic limit for purely classical diffusion, whereas it dips below 0.75 near the center of the membrane irrespective of the permeant. Remarkably, the fractional diffusivity near the center of membrane, where its influence on the permeability is the greatest, is similar among the four permeants despite the large difference in molecular weight and lipophilicity between methanol and 1-butanol. The relative permeabilities, which are estimated from the free-energy and fractional diffusivity profiles, are therefore determined predominantly by differences in the former rather than the latter. The predicted relative permeabilities are highly correlated with existing experimental results, albeit they do not agree quantitatively with them. On the other hand, quite unexpectedly, the reported experimental values for the short-tail alcohols are nearly three orders of magnitude lower than the available experimental measurement for water. Plausible explanations for this apparent disagreement between theory and experiment are considered in detail.

Aneurysm permeability following coil embolization: packing density and coil distribution.

PubMed

Chueh, Ju-Yu; Vedantham, Srinivasan; Wakhloo, Ajay K; Carniato, Sarena L; Puri, Ajit S; Bzura, Conrad; Coffin, Spencer; Bogdanov, Alexei A; Gounis, Matthew J

2015-09-01

Rates of durable aneurysm occlusion following coil embolization vary widely, and a better understanding of coil mass mechanics is desired. The goal of this study is to evaluate the impact of packing density and coil uniformity on aneurysm permeability. Aneurysm models were coiled using either Guglielmi detachable coils or Target coils. The permeability was assessed by taking the ratio of microspheres passing through the coil mass to those in the working fluid. Aneurysms containing coil masses were sectioned for image analysis to determine surface area fraction and coil uniformity. All aneurysms were coiled to a packing density of at least 27%. Packing density, surface area fraction of the dome and neck, and uniformity of the dome were significantly correlated (p<0.05). Hence, multivariate principal components-based partial least squares regression models were used to predict permeability. Similar loading vectors were obtained for packing and uniformity measures. Coil mass permeability was modeled better with the inclusion of packing and uniformity measures of the dome (r(2)=0.73) than with packing density alone (r(2)=0.45). The analysis indicates the importance of including a uniformity measure for coil distribution in the dome along with packing measures. A densely packed aneurysm with a high degree of coil mass uniformity will reduce permeability. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

Tritium permeation through austenitic stainless steel with chemically densified coating as a tritium permeation barrier

NASA Astrophysics Data System (ADS)

Terai, Takayuki; Yoneoka, Toshiaki; Tanaka, Hirohisa; Kawamura, Hiroshi; Nakamichi, Masaru; Miyajima, Kiyoshi

1994-09-01

Chemically densified coating formed on the surface of austenitic stainless steel (SUS 316) was examined for compatibility with molten lithium-lead eutectic alloy (Li17Pb83) and tritium permeability. The chemically densified coating (CDC) consisting of SiO 2 particles and a Cr 2O 3 matrix with a thickness of 60 μm was unstable in contact with the molten alloy as predicted from a thermodynamic calculation at 600°C, and it was degraded in several days. In an in-pile experiment, specimens with the coating on the front surface or the rear surface were immersed in Li17Pb83 molten alloy, and their tritium permeabilities were measured. The permeability of the former was reduced to {1}/{10} of the ideal value in the diffusion-limited case, while that of the latter was less than {1}/{100} of the diffusion-limited value even in a pure H 2 atmosphere. It is concluded that CDC is quite effective to reduce tritium permeability in the condition of not contacting molten Li17Pb83 alloy.

Estimating retinal vascular permeability using the adiabatic approximation to the tissue homogeneity model with fluorescein videoangiography

NASA Astrophysics Data System (ADS)

Tichauer, Kenneth M.; Osswald, Christian R.; Dosmar, Emily; Guthrie, Micah J.; Hones, Logan; Sinha, Lagnojita; Xu, Xiaochun; Mieler, William F.; St. Lawrence, Keith; Kang-Mieler, Jennifer J.

2015-06-01

Clinical symptoms of diabetic retinopathy are not detectable until damage to the retina reaches an irreversible stage, at least by today's treatment standards. As a result, there is a push to develop new, "sub-clinical" methods of predicting the onset of diabetic retinopathy before the onset of irreversible damage. With diabetic retinopathy being associated with the accumulation of long-term mild damage to the retinal vasculature, retinal blood vessel permeability has been proposed as a key parameter for detecting preclinical stages of retinopathy. In this study, a kinetic modeling approach used to quantify vascular permeability in dynamic contrast-enhanced medical imaging was evaluated in noise simulations and then applied to retinal videoangiography data in a diabetic rat for the first time to determine the potential for this approach to be employed clinically as an early indicator of diabetic retinopathy. Experimental levels of noise were found to introduce errors of less than 15% in estimates of blood flow and extraction fraction (a marker of vascular permeability), and fitting of rat retinal fluorescein angiography data provided stable maps of both parameters.

Human scalp permeability to the chemical warfare agent VX.

PubMed

Rolland, P; Bolzinger, M-A; Cruz, C; Briançon, S; Josse, D

2011-12-01

The use of chemical warfare agents such as VX in terrorism act might lead to contamination of the civilian population. Human scalp decontamination may require appropriate products and procedures. Due to ethical reasons, skin decontamination studies usually involve in vitro skin models, but human scalp skin samples are uncommon and expensive. The purpose of this study was to characterize the in vitro permeability to VX of human scalp, and to compare it with (a) human abdominal skin, and (b) pig skin from two different anatomic sites: ear and skull roof, in order to design a relevant model. Based on the VX skin permeation kinetics and distribution, we demonstrated that (a) human scalp was significantly more permeable to VX than abdominal skin and (b) pig-ear skin was the most relevant model to predict the in vitro human scalp permeability. Our results indicated that the follicular pathway significantly contributed to the skin absorption of VX through human scalp. In addition, the hair follicles and the stratum corneum significantly contributed to the formation of a skin reservoir for VX. Copyright © 2011 Elsevier Ltd. All rights reserved.

Incorporating Scale-Dependent Fracture Stiffness for Improved Reservoir Performance Prediction

NASA Astrophysics Data System (ADS)

Crawford, B. R.; Tsenn, M. C.; Homburg, J. M.; Stehle, R. C.; Freysteinson, J. A.; Reese, W. C.

2017-12-01

We present a novel technique for predicting dynamic fracture network response to production-driven changes in effective stress, with the potential for optimizing depletion planning and improving recovery prediction in stress-sensitive naturally fractured reservoirs. A key component of the method involves laboratory geomechanics testing of single fractures in order to develop a unique scaling relationship between fracture normal stiffness and initial mechanical aperture. Details of the workflow are as follows: tensile, opening mode fractures are created in a variety of low matrix permeability rocks with initial, unstressed apertures in the micrometer to millimeter range, as determined from image analyses of X-ray CT scans; subsequent hydrostatic compression of these fractured samples with synchronous radial strain and flow measurement indicates that both mechanical and hydraulic aperture reduction varies linearly with the natural logarithm of effective normal stress; these stress-sensitive single-fracture laboratory observations are then upscaled to networks with fracture populations displaying frequency-length and length-aperture scaling laws commonly exhibited by natural fracture arrays; functional relationships between reservoir pressure reduction and fracture network porosity, compressibility and directional permeabilities as generated by such discrete fracture network modeling are then exported to the reservoir simulator for improved naturally fractured reservoir performance prediction.

Synthesis of amplitude-versus-offset variations in ground-penetrating radar data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng, X.; McMechan, G.A.; Xu, T.

2000-02-01

To evaluate the importance of amplitude-versus-offset information in the interpretation of ground-penetrating radar (GPR) data, GPR reflections are synthesized as a function of antenna separation using a 2.5-D Finite-difference solution of Maxwell's equations. The conductivity, the complex dielectric permittivity,and the complex magnetic permeability are varied systematically in nine suites of horizontally layered models. The source used is a horizontal transverse-electric dipole situated at the air-earth interface. Cole-Cole relaxation mechanisms define the frequency dependence of the media. Reflection magnitudes and their variations with antenna separation differ substantially, depending on the contrast in electromagnetic properties that caused the reflection. The spectral charactermore » of the dielectric and magnetic relaxations produces only second-order variations in reflection coefficients compared with those associated with contrasts in permittivity, conductivity, and permeability, so they may not be separable even when they are detected. In typical earth materials, attenuation of propagating GPR waves is influenced most strongly by conductivity, followed by dielectric relaxation, followed by magnetic relaxation. A pervasive feature of the simulated responses is locally high amplitude associated with the critical incident angle at the air-earth interface in the antenna radiation pattern. Full wavefield simulations of two field data sets from a fluvial/eolian environment are able to reproduce the main amplitude behaviors observed in the data.« less

Theoretical Study on Stress Sensitivity of Fractal Porous Media with Irreducible Water

NASA Astrophysics Data System (ADS)

Lei, Gang; Dong, Zhenzhen; Li, Weirong; Wen, Qingzhi; Wang, Cai

The couple flow deformation behavior in porous media has drawn tremendous attention in various scientific and engineering fields. However, though the coupled flow deformation mechanism has been intensively investigated in the last decades, the essential controls on stress sensitivity are not determined. It is of practical significance to use analytic methods to study stress sensitivity of porous media. Unfortunately, because of the disordered and extremely complicated microstructures of porous media, the theoretical model for stress sensitivity is scarce. The goal of this work is to establish a novel and reasonable quantitative model to determine the essential controls on stress sensitivity. The predictions of the theoretical model, derived from the Hertzian contact theory and fractal geometry, agree well with the available experimental data. Compared with the previous models, our model takes into account more factors, including the influence of the water saturation and the microstructural parameters of the pore space. The proposed models can reveal more mechanisms that affect the coupled flow deformation behavior in fractal porous media. The results show that the irreducible water saturation increases with the increase of effective stress, and decreases with the increased rock elastic modulus (or increased power law index) at a given effective stress. The effect of stress variation on porosity is smaller than that on permeability. Under a given effective stress, the normalized permeability (or the normalized porosity) becomes smaller with the decrease of rock elastic modulus (or the decrease of power law index). And a lower capillary pressure will correspond to an increased rock elastic modulus (or an increased power law index) under a given water saturation.

Sedimentological reservoir characteristics of the Paleocene fluvial/lacustrine Yabus Sandstone, Melut Basin, Sudan

NASA Astrophysics Data System (ADS)

Mahgoub, M. I.; Padmanabhan, E.; Abdullatif, O. M.

2016-11-01

Melut Basin in Sudan is regionally linked to the Mesozoic-Cenozoic Central and Western African Rift System (CWARS). The Paleocene Yabus Formation is the main oil producing reservoir in the basin. It is dominated by channel sandstone and shales deposited in fluvial/lacustrine environment during the third phase of rifting in the basin. Different scales of sedimentological heterogeneities influenced reservoir quality and architecture. The cores and well logs analyses revealed seven lithofacies representing fluvial, deltaic and lacustrine depositional environments. The sandstone is medium to coarse-grained, poorly to moderately-sorted and sub-angular to sub-rounded, arkosic-subarkosic to sublitharenite. On the basin scale, the Yabus Formation showed variation in sandstone bodies, thickness, geometry and architecture. On macro-scale, reservoir quality varies vertically and laterally within Yabus Sandstone where it shows progressive fining upward tendencies with different degrees of connectivity. The lower part of the reservoir showed well-connected and amalgamated sandstone bodies, the middle to the upper parts, however, have moderate to low sandstone bodies' connectivity and amalgamation. On micro-scale, sandstone reservoir quality is directly affected by textures and diagenetic changes such as compaction, cementation, alteration, dissolution and kaolinite clays pore fill and coat all have significantly reduced the reservoir porosity and permeability. The estimated porosity in Yabus Formation ranges from 2 to 20% with an average of 12%; while permeability varies from 200 to 500 mD and up to 1 Darcy. The understanding of different scales of sedimentological reservoir heterogeneities might contribute to better reservoir quality prediction, architecture, consequently enhancing development and productivity.

Controls on mineralisation in the Sierra Foothills gold province, central California, USA: A GIS-based reconnaissance prospectivity analysis

USGS Publications Warehouse

Bierlein, F.P.; Northover, H.J.; Groves, D.I.; Goldfarb, R.J.; Marsh, E.E.

2008-01-01

The assessment of spatial relationships between the location, abundance and size of orogenic-gold deposits in the highly endowed Sierra Foothills gold province in California, via the combination of field studies and a GIS-based analysis, illustrates the power of such an approach to the characterisation of important parameters of mineral systems, and the prediction of districts likely to host economic mineralisation. Regional- to deposit-scale reconnaissance mapping suggests that deposition of gold-bearing quartz veins occurred in second- and third-order, east-over-west thrusts during regional east - west compression and right-lateral transpression. At the district-scale, significant zones of mineralisation correspond with such transpressional reactivation zones and dilational jogs that developed during the Late Jurassic - Early Cretaceous along the misaligned segments of first-order faults throughout the Sierra Nevada Foothills Metamorphic Belt. Field-based observations and interpretation of GIS data (including solid geology, structural elements, deposit locations, magnetics, gravity) also highlight the importance of structural permeability contrasts, rheological gradients, and variations in fault orientation for localising mineralisation. Although this approach confirms empirical findings and produces promising results at the province scale, enhanced geological, structural, geophysical and geochronological data density is required to generate regionally consistent, high-quality input layers that improve predictive targeting at the goldfield to deposit-scale.

The role of mineral heterogeneity on the hydrogeochemical response of two fractured reservoir rocks in contact with dissolved CO2

NASA Astrophysics Data System (ADS)

Garcia Rios, Maria; Luquot, Linda; Soler, Josep M.; Cama, Jordi

2017-04-01

In this study we compare the hydrogeochemical response of two fractured reservoir rocks (limestone composed of 100 wt.% calcite and sandstone composed of 66 wt.% calcite, 28 wt.% quartz and 6 wt.% microcline) in contact with CO2-rich sulfate solutions. Flow-through percolation experiments were performed using artificially fractured limestone and sandstone cores and injecting a CO2-rich sulfate solution under a constant volumetric flow rate (from 0.2 to 60 mL/h) at P = 150 bar and T = 60 °C. Measurements of the pressure difference between the inlet and the outlet of the samples and of the aqueous chemistry enabled the determination of fracture permeability changes and net reaction rates. Additionally, X-ray computed microtomography (XCMT) was used to characterize and localized changes in fracture volume induced by dissolution and precipitation reactions. In all reacted cores an increase in fracture permeability and in fracture volume was always produced even when gypsum precipitation happened. The presence of inert silicate grains in sandstone samples favored the occurrence of largely distributed dissolution structures in contrast to localized dissolution in limestone samples. This phenomenon promoted greater dissolution and smaller precipitation in sandstone than in limestone experiments. As a result, in sandstone reservoirs, the larger increase in fracture volume as well as the more extended distribution of the created volume would favor the CO2 storage capacity. The different distribution of created volume between limestone and sandstone experiments led to a different variation in fracture permeability. The progressive stepped permeability increase for sandstone would be preferred to the sharp permeability increase for limestone to minimize risks related to CO2 injection, favor capillary trapping and reduce energetic storage costs. 2D reactive transport simulations that reproduce the variation in aqueous chemistry and the fracture geometry (dissolution pattern) were performed using CrunchFlow. The calcite reactive surface area had to be diminished with respect to the geometric surface area in order to account for the transport control of the calcite dissolution reaction at pH < 5. The fitted reactive surface area was higher under faster flow conditions, reflecting a decrease in transport control and a more distributed reaction in sandstone compared to limestone.

A numerical approach for assessing effects of shear on equivalent permeability and nonlinear flow characteristics of 2-D fracture networks

NASA Astrophysics Data System (ADS)

Liu, Richeng; Li, Bo; Jiang, Yujing; Yu, Liyuan

2018-01-01

Hydro-mechanical properties of rock fractures are core issues for many geoscience and geo-engineering practices. Previous experimental and numerical studies have revealed that shear processes could greatly enhance the permeability of single rock fractures, yet the shear effects on hydraulic properties of fractured rock masses have received little attention. In most previous fracture network models, single fractures are typically presumed to be formed by parallel plates and flow is presumed to obey the cubic law. However, related studies have suggested that the parallel plate model cannot realistically represent the surface characters of natural rock fractures, and the relationship between flow rate and pressure drop will no longer be linear at sufficiently large Reynolds numbers. In the present study, a numerical approach was established to assess the effects of shear on the hydraulic properties of 2-D discrete fracture networks (DFNs) in both linear and nonlinear regimes. DFNs considering fracture surface roughness and variation of aperture in space were generated using an originally developed code DFNGEN. Numerical simulations by solving Navier-Stokes equations were performed to simulate the fluid flow through these DFNs. A fracture that cuts through each model was sheared and by varying the shear and normal displacements, effects of shear on equivalent permeability and nonlinear flow characteristics of DFNs were estimated. The results show that the critical condition of quantifying the transition from a linear flow regime to a nonlinear flow regime is: 10-4 〈 J < 10-3, where J is the hydraulic gradient. When the fluid flow is in a linear regime (i.e., J < 10-4), the relative deviation of equivalent permeability induced by shear, δ2, is linearly correlated with J with small variations, while for fluid flow in the nonlinear regime (J 〉 10-3), δ2 is nonlinearly correlated with J. A shear process would reduce the equivalent permeability significantly in the orientation perpendicular to the sheared fracture as much as 53.86% when J = 1, shear displacement Ds = 7 mm, and normal displacement Dn = 1 mm. By fitting the calculated results, the mathematical expression for δ2 is established to help choose proper governing equations when solving fluid flow problems in fracture networks.

Transient stress-coupling between the 1992 Landers and 1999 Hector Mine, California, earthquakes

USGS Publications Warehouse

Masterlark, Timothy; Wang, H.F.

2002-01-01

A three-dimensional finite-element model (FEM) of the Mojave block region in southern California is constructed to investigate transient stress-coupling between the 1992 Landers and 1999 Hector Mine earthquakes. The FEM simulates a poroelastic upper-crust layer coupled to a viscoelastic lower-crust layer, which is decoupled from the upper mantle. FEM predictions of the transient mechanical behavior of the crust are constrained by global positioning system (GPS) data, interferometric synthetic aperture radar (InSAR) images, fluid-pressure data from water wells, and the dislocation source of the 1999 Hector Mine earthquake. Two time-dependent parameters, hydraulic diffusivity of the upper crust and viscosity of the lower crust, are calibrated to 10–2 m2·sec–1 and 5 × 1018 Pa·sec respectively. The hydraulic diffusivity is relatively insensitive to heterogeneous fault-zone permeability specifications and fluid-flow boundary conditions along the elastic free-surface at the top of the problem domain. The calibrated FEM is used to predict the evolution of Coulomb stress during the interval separating the 1992 Landers and 1999 Hector Mine earthquakes. The predicted change in Coulomb stress near the hypocenter of the Hector Mine earthquake increases from 0.02 to 0.05 MPa during the 7-yr interval separating the two events. This increase is primarily attributed to the recovery of decreased excess fluid pressure from the 1992 Landers coseismic (undrained) strain field. Coulomb stress predictions are insensitive to small variations of fault-plane dip and hypocentral depth estimations of the Hector Mine rupture.

Structural evolution of fault zones in sandstone by multiple deformation mechanisms: Moab fault, southeast Utah

USGS Publications Warehouse

Davatzes, N.C.; Eichhubl, P.; Aydin, A.

2005-01-01

Faults in sandstone are frequently composed of two classes of structures: (1) deformation bands and (2) joints and sheared joints. Whereas the former structures are associated with cataclastic deformation, the latter ones represent brittle fracturing, fragmentation, and brecciation. We investigated the distribution of these structures, their formation, and the underlying mechanical controls for their occurrence along the Moab normal fault in southeastern Utah through the use of structural mapping and numerical elastic boundary element modeling. We found that deformation bands occur everywhere along the fault, but with increased density in contractional relays. Joints and sheared joints only occur at intersections and extensional relays. In all locations , joints consistently overprint deformation bands. Localization of joints and sheared joints in extensional relays suggests that their distribution is controlled by local variations in stress state that are due to mechanical interaction between the fault segments. This interpretation is consistent with elastic boundary element models that predict a local reduction in mean stress and least compressive principal stress at intersections and extensional relays. The transition from deformation band to joint formation along these sections of the fault system likely resulted from the combined effects of changes in remote tectonic loading, burial depth, fluid pressure, and rock properties. In the case of the Moab fault, we conclude that the structural heterogeneity in the fault zone is systematically related to the geometric evolution of the fault, the local state of stress associated with fault slip , and the remote loading history. Because the type and distribution of structures affect fault permeability and strength, our results predict systematic variations in these parameters with fault evolution. ?? 2004 Geological Society of America.

Improvements to water vapor transmission and capillary absorption measurements in porous materials

Treesearch

Samuel L. Zelinka; Samuel V. Glass; Charles R. Boardman

2016-01-01

The vapor permeability (or equivalently the vapor diffusion resistance factor) and the capillary absorption coefficient are frequently used as inputs to hygrothermal or heat, air, and moisture (HAM) models. However, it has been well documented that the methods used to determine these properties are sensitive to the operator, and wide variations in the properties have...

HOW WELL ARE HYDRAULIC CONDUCTIVITY VARIATIONS APPROXIMATED BY ADDITIVE STABLE PROCESSES? (R826171)

EPA Science Inventory

Abstract

Analysis of the higher statistical moments of a hydraulic conductivity (K) and an intrinsic permeability (k) data set leads to the conclusion that the increments of the data and the logs of the data are not governed by Levy-stable or Gaussian dis...

Predictive Criteria to Study the Pathogenesis of Malaria-Associated ALI/ARDS in Mice

PubMed Central

Ortolan, Luana S.; Sercundes, Michelle K.; Debone, Daniela; Hagen, Stefano C. F.; D' Império Lima, Maria Regina; Alvarez, José M.; Marinho, Claudio R. F.; Epiphanio, Sabrina

2014-01-01

Malaria-associated acute lung injury/acute respiratory distress syndrome (ALI/ARDS) often results in morbidity and mortality. Murine models to study malaria-associated ALI/ARDS have been described; we still lack a method of distinguishing which mice will develop ALI/ARDS before death. This work aimed to characterize malaria-associated ALI/ARDS in a murine model and to demonstrate the first method to predict whether mice are suffering from ALI/ARDS before death. DBA/2 mice infected with Plasmodium berghei ANKA developing ALI/ARDS or hyperparasitemia (HP) were compared using histopathology, PaO2 measurement, pulmonary X-ray, breathing capacity, lung permeability, and serum vascular endothelial growth factor (VEGF) levels according to either the day of death or the suggested predictive criteria. We proposed a model to predict malaria-associated ALI/ARDS using breathing patterns (enhanced pause and frequency respiration) and parasitemia as predictive criteria from mice whose cause of death was known to retrospectively diagnose the sacrificed mice as likely to die of ALI/ARDS as early as 7 days after infection. Using this method, we showed increased VEGF levels and increased lung permeability in mice predicted to die of ALI/ARDS. This proposed method for accurately identifying mice suffering from ALI/ARDS before death will enable the use of this model to study the pathogenesis of this disease. PMID:25276057

Permeability predictions for sand-clogged Portland cement pervious concrete pavement systems.

PubMed

Haselbach, Liv M; Valavala, Srinivas; Montes, Felipe

2006-10-01

Pervious concrete is an alternative paving surface that can be used to reduce the nonpoint source pollution effects of stormwater runoff from paved surfaces such as roadways and parking lots by allowing some of the rainfall to permeate into the ground below. This infiltration rate may be adversely affected by clogging of the system, particularly clogging or covering by sand in coastal areas. A theoretical relation was developed between the effective permeability of a sand-clogged pervious concrete block, the permeability of sand, and the porosity of the unclogged block. Permeabilities were then measured for Portland cement pervious concrete systems fully covered with extra fine sand in a flume using simulated rainfalls. The experimental results correlated well with the theoretical calculated permeability of the pervious concrete system for pervious concrete systems fully covered on the surface with sand. Two different slopes (2% and 10%) were used. Rainfall rates were simulated for the combination of direct rainfall (passive runoff) and for additional stormwater runoff from adjacent areas (active runoff). A typical pervious concrete block will allow water to pass through at flow rates greater than 0.2 cm/s and a typical extra fine sand will have a permeability of approximately 0.02 cm/s. The limit of the system with complete sand coverage resulted in an effective system permeability of approximately 0.004 cm/s which is similar to the rainfall intensity of a 30 min duration, 100-year frequency event in the southeastern United States. The results obtained are important in designing and evaluating pervious concrete as a paving surface within watershed management systems for controlling the quantity of runoff.

The influence of preferential flow on pressure propagation and landslide triggering of the Rocca Pitigliana landslide

NASA Astrophysics Data System (ADS)

Shao, Wei; Bogaard, Thom; Bakker, Mark; Berti, Matteo

2016-12-01

The fast pore water pressure response to rain events is an important triggering factor for slope instability. The fast pressure response may be caused by preferential flow that bypasses the soil matrix. Currently, most of the hydro-mechanical models simulate pore water pressure using a single-permeability model, which cannot quantify the effects of preferential flow on pressure propagation and landslide triggering. Previous studies showed that a model based on the linear-diffusion equation can simulate the fast pressure propagation in near-saturated landslides such as the Rocca Pitigliana landslide. In such a model, the diffusion coefficient depends on the degree of saturation, which makes it difficult to use the model for predictions. In this study, the influence of preferential flow on pressure propagation and slope stability is investigated with a 1D dual-permeability model coupled with an infinite-slope stability approach. The dual-permeability model uses two modified Darcy-Richards equations to simultaneously simulate the matrix flow and preferential flow in hillslopes. The simulated pressure head is used in an infinite-slope stability analysis to identify the influence of preferential flow on the fast pressure response and landslide triggering. The dual-permeability model simulates the height and arrival of the pressure peak reasonably well. Performance of the dual-permeability model is as good as or better than the linear-diffusion model even though the dual-permeability model is calibrated for two single pulse rain events only, while the linear-diffusion model is calibrated for each rain event separately. In conclusion, the 1D dual-permeability model is a promising tool for landslides under similar conditions.

Reanalysis of in situ permeability measurements in the Barbados décollement

USGS Publications Warehouse

Bekins, B.A.; Matmon, D.; Screaton, E.J.; Brown, K.M.

2011-01-01

A cased and sealed borehole in the Northern Barbados accretionary complex was the site of the first attempts to measure permeability in situ along a plate boundary décollement. Three separate efforts at Hole 949C yielded permeability estimates for the décollement spanning four orders of magnitude. An analysis of problems encountered during installation of the casing and seals provides insights into how the borehole conditions may have led to the wide range of results. During the installation, sediments from the surrounding formation repeatedly intruded into the borehole and casing. Stress analysis shows that the weak sediments were deforming plastically and the radial and tangential stresses around the borehole were significantly lower than lithostatic. This perturbed stress state may explain why the test pressure records showed indications of hydrofracture at pressures below lithostatic, and permeabilities rose rapidly as the estimated effective stress dropped below 0.8 MPa. Even after the borehole was sealed, the plastic deformation of the formation and relatively large gap of the wire wrapped screen allowed sediment to flow into the casing. Force equilibrium calculations predict sediment would have filled the borehole to 10 cm above the top of the screen by the time slug tests were conducted 1.5 years after the borehole was sealed. Reanalysis of the slug test results with these conditions yields several orders of magnitude higher permeability estimates than the original analysis which assumed an open casing. Overall the results based on only the tests with no sign of hydrofracture yield a permeability range of 10−14–10−15 m2 and a rate of increase in permeability with decreasing effective stress consistent with laboratory tests on samples from the décollement zone.

Assessing temporal variations in connectivity through suspended sediment hysteresis analysis

NASA Astrophysics Data System (ADS)

Sherriff, Sophie; Rowan, John; Fenton, Owen; Jordan, Phil; Melland, Alice; Mellander, Per-Erik; hUallacháin, Daire Ó.

2016-04-01

Connectivity provides a valuable concept for understanding catchment-scale sediment dynamics. In intensive agricultural catchments, land management through tillage, high livestock densities and extensive land drainage practices significantly change hydromorphological behaviour and alter sediment supply and downstream delivery. Analysis of suspended sediment-discharge hysteresis has offered insights into sediment dynamics but typically on a limited selection of events. Greater availability of continuous high-resolution discharge and turbidity data and qualitative hysteresis metrics enables assessment of sediment dynamics during more events and over time. This paper assesses the utility of this approach to explore seasonal variations in connectivity. Data were collected from three small (c. 10 km2) intensive agricultural catchments in Ireland with contrasting morphologies, soil types, land use patterns and management practices, and are broadly defined as low-permeability supporting grassland, moderate-permeability supporting arable and high-permeability supporting arable. Suspended sediment concentration (using calibrated turbidity measurements) and discharge data were collected at 10-min resolution from each catchment outlet and precipitation data were collected from a weather station within each catchment. Event databases (67-90 events per catchment) collated information on sediment export metrics, hysteresis category (e.g., clockwise, anti-clockwise, no hysteresis), numeric hysteresis index, and potential hydro-meteorological controls on sediment transport including precipitation amount, duration, intensity, stream flow and antecedent soil moisture and rainfall. Statistical analysis of potential controls on sediment export was undertaken using Pearson's correlation coefficient on separate hysteresis categories in each catchment. Sediment hysteresis fluctuations through time were subsequently assessed using the hysteresis index. Results showed the numeric hysteresis index varied over time in all three catchments. The exact response was catchment specific reflecting changing sediment availability and connectivity through time as indicated by dominant controls. In the low-permeability grassland catchment, proximal sources dominated which was consistent with observations of active channel bank erosion. Seasonal increases in rainfall increased the erosion potential but continuous grassland cover mitigated against hillslope sediment contributions despite high hydrological connectivity and surface pathways. The moderate-permeability arable catchment was dominated by events with a distal source component but those with both proximal and distal sediment sources yielded the highest sediment quantities. These events were driven by rainfall parameters suggesting sediment were surface derived and the hillslope was hydrologically connected during most events. Through time, a sustained period of rainfall increased the magnitude of negative hysteresis, likely demonstrating increasing surface hydrological connectivity due to increased groundwater saturation. Where increased hydrological connectivity coincided with low groundcover, the largest sediment exports were recorded. Events in the high permeability catchment indicated predominantly proximal sediments despite abundant distal sources from tilled fields. The infiltration dominated high permeability soils hydrologically disconnected these field sources and limited sediment supply. However, the greatest sediment export occurred in this catchment suggesting thresholds existed, which when exceeded during higher magnitude events, resulted in efficient conveyance of sediments. Hysteresis analysis offers wider utility as a tool to understand sediment pathways and connectivity issues with applications to catchment management strategies.

Development of reservoir facies and porosity-permeability compartmentalization in middle Mississippian Salem Limestone, eastern margin of the Illinois Basin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahmad, N.; Keith, B.D.; Thompson, T.A.

Shoal facies of the Salem Limestone in south-central Indiana are composed of (1) bryozoan- and echinoderm-rich (85-95%) grainstones, and (3) foraminiferal-echinodermal grainstones. Microfacies and bedform analyses indicate that deposition took place under tidal conditions where sporadic storm events mobilized the entire sand body. Strong, primarily unidirectional currents, abundant sediment supply, and rapid burial resulted in thick, massive deposits in the Salem shoal. In this hydraulic regime, shape and specific gravity determined the distribution of echinoderm grains relative to heavier bryozoan grains. The relative amount of echinoderms controlled the development of early syntaxial rim cement, which preserved porosity during early compaction.more » A significant amount of calcium carbonate ({approximately}58%) filled the micropores within the echinoderm grains before the intergranular cement could form. Areas such as toes of avalanche forests, where intermediate amounts of echinoderms are mixed with other grains, have greater porosity and permeability. Numerous stylolites also occur throughout the Salem grainstones. Variations in microfacies composition and bedforms are grouped into architectural packages that compartmentalize the porosity and permeability and form micro-to scale macroscale heterogeneities. The basal channel architectural package studied exhibits porosity-permeability compartments orthogonal to the overlying channel-fill sandwave package. In an analogous petroleum reservoir this can result in poor reservoir performance during primary and enhanced recovery leaving behind significant amounts of unrecovered mobile oil. Higher porosity and permeability at the base of a package due to the presence of toesets of a certain grain composition can result in poor sweep efficiency for enhanced recovery.« less

Fault zone hydrogeologic properties and processes revealed by borehole temperature monitoring

NASA Astrophysics Data System (ADS)

Fulton, P. M.; Brodsky, E. E.

2015-12-01

High-resolution borehole temperature monitoring can provide valuable insight into the hydrogeologic structure of fault zones and transient processes that affect fault zone stability. Here we report on results from a subseafloor temperature observatory within the Japan Trench plate boundary fault. In our efforts to interpret this unusual dataset, we have developed several new methods for probing hydrogeologic properties and processes. We illustrate how spatial variations in the thermal recovery of the borehole after drilling and other spectral characteristics provide a measure of the subsurface permeability architecture. More permeable zones allow for greater infiltration of cool drilling fluids, are more greatly thermally disturbed, and take longer to recover. The results from the JFAST (Japan Trench Fast Drilling Project) observatory are consistent with geophysical logs, core data, and other hydrologic observations and suggest a permeable damage zone consisting of steeply dipping faults and fractures overlays a low-permeability clay-rich plate boundary fault. Using high-resolution time series data, we have also developed methods to map out when and where fluid advection occurs in the subsurface over time. In the JFAST data, these techniques reveal dozens of transient earthquake-driven fluid pulses that are spatially correlated and consistently located around inferred permeable areas of the fault damage zone. These observations are suspected to reflect transient fluid flow driven by pore pressure changes in response to dynamic and/or static stresses associated with nearby earthquakes. This newly recognized hydrologic phenomenon has implications for understanding subduction zone heat and chemical transport as well as the redistribution of pore fluid pressure which influences fault stability and can trigger other earthquakes.

Laboratory Investigation of Coal Deformation Behavior and Its Influence on Permeability Evolution During Methane Displacement by CO2

NASA Astrophysics Data System (ADS)

Fan, Jingjing; Feng, Ruimin; Wang, Jin; Wang, Yanbin

2017-07-01

Geological sequestration of CO2 in coal seams is of significant interest to both academia and industry. A thorough laboratory investigation of mechanical and flow behaviors is crucial for understanding the complex response of coalbeds to CO2 injection-enhanced coalbed methane recovery (CO2-ECBM) operation. In this work, systematic experiments were carried out on cylindrical coal core specimens under different uniform confining stresses. The coal deformation caused by variations in effective stress as well as the sorption-induced matrix swelling/shrinkage was monitored. The competitive gas sorption characteristics and permeability evolution during the process of methane displacement by CO2 were also investigated. The measured volumetric strain results indicate that sorption-induced strain is the dominant factor in the coal deformation. The relationship between the volumetric strain and the adsorbed gas volume has been revealed to be a linear function. Experimental results obtained under different stress conditions suggest that higher confining stress suppresses the increase in both volumetric strain and the adsorbed gas volume. Furthermore, both methane displacement and CO2 injection are reduced when applying higher confining stresses. In addition, the permeability enhancement is heavily suppressed at higher confining stress. At a certain confining stress, a characteristic "U-shaped" trend of permeability is presented as a function of decreasing pore pressure. This study contributes to the understanding of coal deformation and its impact on permeability evolution under uniformly stressed condition, which has practical significance for CO2 sequestration and CO2-ECBM operation in the Qinshui basin.

Permeability Variations Associated With Fault Reactivation in a Claystone Formation Investigated by Field Experiments and Numerical Simulations

NASA Astrophysics Data System (ADS)

Jeanne, Pierre; Guglielmi, Yves; Rutqvist, Jonny; Nussbaum, Christophe; Birkholzer, Jens

2018-02-01

We studied the relation between rupture and changes in permeability within a fault zone intersecting the Opalinus Clay formation at 300 m depth in the Mont Terri Underground Research Laboratory (Switzerland). A series of water injection experiments were performed in a borehole straddle interval set within the damage zone of the main fault. A three-component displacement sensor allowed an estimation of the displacement of a minor fault plane reactivated during a succession of step rate pressure tests. The experiment reveals that the fault hydromechanical (HM) behavior is different from one test to the other with varying pressure levels needed to trigger rupture and different slip behavior under similar pressure conditions. Numerical simulations were performed to better understand the reason for such different behavior and to investigate the relation between rupture nucleation, permeability change, pressure diffusion, and rupture propagation. Our main findings are as follows: (i) a rate frictional law and a rate-and-state permeability law can reproduce the first test, but it appears that the rate constitutive parameters must be pressure dependent to reproduce the complex HM behavior observed during the successive injection tests; (ii) almost similar ruptures can create or destroy the fluid diffusion pathways; (iii) a too high or too low diffusivity created by the main rupture prevents secondary rupture events from occurring whereas "intermediate" diffusivity favors the nucleation of a secondary rupture associated with the fluid diffusion. However, because rupture may in certain cases destroy permeability, this succession of ruptures may not necessarily create a continuous hydraulic pathway.

Characterization of transport phenomena in porous transport layers using X-ray microtomography

NASA Astrophysics Data System (ADS)

Hasanpour, S.; Hoorfar, M.; Phillion, A. B.

2017-06-01

Among different methods available for estimating the transport properties of porous transport layers (PTLs) of polymer electrolyte membrane fuel cells, X-ray micro computed tomography (X-μCT) imaging in combination with image-based numerical simulation has been recognized as a viable tool. In this study, four commercially-available single-layer and dual-layer PTLs are analyzed using this method in order to compare and contrast transport properties between different PTLs, as well as the variability within a single sheet. Complete transport property datasets are created for each PTL. The simulation predictions indicate that PTLs with high porosity show considerable variability in permeability and effective diffusivity, while PTLs with low porosity do not. Furthermore, it is seen that the Tomadakis-Sotirchos (TS) analytical expressions for porous media match the image-based simulations when porosity is relatively low but predict higher permeability and effective diffusivity for porosity values greater than 80%. Finally, the simulations show that cracks within MPL of dual-layer PTLs have a significant effect on the overall permeability and effective diffusivity of the PTLs. This must be considered when estimating the transport properties of dual-layer PTLs. These findings can be used to improve macro-scale models of product and reactant transport within fuel cells, and ultimately, fuel cell efficiency.

Diffusion and convection in collagen gels: implications for transport in the tumor interstitium.

PubMed Central

Ramanujan, Saroja; Pluen, Alain; McKee, Trevor D; Brown, Edward B; Boucher, Yves; Jain, Rakesh K

2002-01-01

Diffusion coefficients of tracer molecules in collagen type I gels prepared from 0-4.5% w/v solutions were measured by fluorescence recovery after photobleaching. When adjusted to account for in vivo tortuosity, diffusion coefficients in gels matched previous measurements in four human tumor xenografts with equivalent collagen concentrations. In contrast, hyaluronan solutions hindered diffusion to a lesser extent when prepared at concentrations equivalent to those reported in these tumors. Collagen permeability, determined from flow through gels under hydrostatic pressure, was compared with predictions obtained from application of the Brinkman effective medium model to diffusion data. Permeability predictions matched experimental results at low concentrations, but underestimated measured values at high concentrations. Permeability measurements in gels did not match previous measurements in tumors. Visualization of gels by transmission electron microscopy and light microscopy revealed networks of long collagen fibers at lower concentrations along with shorter fibers at high concentrations. Negligible assembly was detected in collagen solutions pregelation. However, diffusion was similarly hindered in pre and postgelation samples. Comparison of diffusion and convection data in these gels and tumors suggests that collagen may obstruct diffusion more than convection in tumors. These findings have significant implications for drug delivery in tumors and for tissue engineering applications. PMID:12202388

Modeling of membrane processes for air revitalization and water recovery

NASA Technical Reports Server (NTRS)

Lange, Kevin E.; Foerg, Sandra L.; Dall-Bauman, Liese A.

1992-01-01

Gas-separation and reverse-osmosis membrane models are being developed in conjunction with membrane testing at NASA JSC. The completed gas-separation membrane model extracts effective component permeabilities from multicomponent test data, and predicts the effects of flow configuration, operating conditions, and membrane dimensions on module performance. Variable feed- and permeate-side pressures are considered. The model has been applied to test data for hollow-fiber membrane modules with simulated cabin-air feeds. Results are presented for a membrane designed for air drying applications. Extracted permeabilities are used to predict the effect of operating conditions on water enrichment in the permeate. A first-order reverse-osmosis model has been applied to test data for spiral wound membrane modules with a simulated hygiene water feed. The model estimates an effective local component rejection coefficient under pseudosteady-state conditions. Results are used to define requirements for a detailed reverse-osmosis model.

An MRI-based classification scheme to predict passive access of 5 to 50-nm large nanoparticles to tumors

PubMed Central

Karageorgis, Anastassia; Dufort, Sandrine; Sancey, Lucie; Henry, Maxime; Hirsjärvi, Samuli; Passirani, Catherine; Benoit, Jean-Pierre; Gravier, Julien; Texier, Isabelle; Montigon, Olivier; Benmerad, Mériem; Siroux, Valérie; Barbier, Emmanuel L.; Coll, Jean-Luc

2016-01-01

Nanoparticles are useful tools in oncology because of their capacity to passively accumulate in tumors in particular via the enhanced permeability and retention (EPR) effect. However, the importance and reliability of this effect remains controversial and quite often unpredictable. In this preclinical study, we used optical imaging to detect the accumulation of three types of fluorescent nanoparticles in eight different subcutaneous and orthotopic tumor models, and dynamic contrast-enhanced and vessel size index Magnetic Resonance Imaging (MRI) to measure the functional parameters of these tumors. The results demonstrate that the permeability and blood volume fraction determined by MRI are useful parameters for predicting the capacity of a tumor to accumulate nanoparticles. Translated to a clinical situation, this strategy could help anticipate the EPR effect of a particular tumor and thus its accessibility to nanomedicines. PMID:26892874

An MRI-based classification scheme to predict passive access of 5 to 50-nm large nanoparticles to tumors.

PubMed

Karageorgis, Anastassia; Dufort, Sandrine; Sancey, Lucie; Henry, Maxime; Hirsjärvi, Samuli; Passirani, Catherine; Benoit, Jean-Pierre; Gravier, Julien; Texier, Isabelle; Montigon, Olivier; Benmerad, Mériem; Siroux, Valérie; Barbier, Emmanuel L; Coll, Jean-Luc

2016-02-19

Nanoparticles are useful tools in oncology because of their capacity to passively accumulate in tumors in particular via the enhanced permeability and retention (EPR) effect. However, the importance and reliability of this effect remains controversial and quite often unpredictable. In this preclinical study, we used optical imaging to detect the accumulation of three types of fluorescent nanoparticles in eight different subcutaneous and orthotopic tumor models, and dynamic contrast-enhanced and vessel size index Magnetic Resonance Imaging (MRI) to measure the functional parameters of these tumors. The results demonstrate that the permeability and blood volume fraction determined by MRI are useful parameters for predicting the capacity of a tumor to accumulate nanoparticles. Translated to a clinical situation, this strategy could help anticipate the EPR effect of a particular tumor and thus its accessibility to nanomedicines.

Occipital blood-brain barrier permeability is an independent predictor of visual outcome in type 2 diabetes, irrespective of the retinal barrier: A longitudinal study.

PubMed

Abuhaiba, S I; Cordeiro, M; Amorim, A; Cruz, Â; Quendera, B; Ferreira, C; Ribeiro, L; Bernardes, R; Castelo-Branco, M

2018-01-01

Blood-brain barrier (BBB) permeability in type 2 diabetic patients has been previously shown to be altered in certain brain regions such as the basal ganglia and the hippocampus. Because of the histological and functional similarities between the BBB) and the blood-retinal barrier (BRB), we aimed to investigate how the permeability of both barriers predicts visual outcome. We included 2 control groups (acute unilateral stroke patients, n = 9; type 2 diabetics without BRB leakage n = 10) and a case study group of type 2 diabetics with established BRB leakage (n = 17). We evaluated sex, age, disease duration, metabolic impairment, retinopathy grade and BBB permeability as predictors of visual acuity at baseline, 12  and 24 months in the type 2 diabetics without BRB leakage group and the case study group. We have also explored differences in BBB permeability in the occipital lobe and frontal lobe in the 3 different groups. K trans (volume transfer coefficient) and V p (fractional plasma volume) were estimated. The BBB permeability parameter V p was higher in the case study group compared to the unaffected hemisphere of the stroke patient control group, suggesting vascular dynamics were changed in the occipital lobe of type 2 diabetics with established BRB leakage. These patients showed a significant correlation between glycated hemoglobin (HbA1C) levels and occipital and frontal K trans . We report for the first time that occipital BBB permeability is an independent predictor of visual acuity at baseline, as well as at 12 and 24 months, in type 2 diabetics with established BRB leakage. Our results suggest that occipital BBB permeability might be an independent biomarker for visual impairment in patients with established BRB leakage. © 2017 British Society for Neuroendocrinology.

Achieving high permeability and enhanced selectivity for Angstrom-scale separations using artificial water channel membranes.

PubMed

Shen, Yue-Xiao; Song, Woochul C; Barden, D Ryan; Ren, Tingwei; Lang, Chao; Feroz, Hasin; Henderson, Codey B; Saboe, Patrick O; Tsai, Daniel; Yan, Hengjing; Butler, Peter J; Bazan, Guillermo C; Phillip, William A; Hickey, Robert J; Cremer, Paul S; Vashisth, Harish; Kumar, Manish

2018-06-12

Synthetic polymer membranes, critical to diverse energy-efficient separations, are subject to permeability-selectivity trade-offs that decrease their overall efficacy. These trade-offs are due to structural variations (e.g., broad pore size distributions) in both nonporous membranes used for Angstrom-scale separations and porous membranes used for nano to micron-scale separations. Biological membranes utilize well-defined Angstrom-scale pores to provide exceptional transport properties and can be used as inspiration to overcome this trade-off. Here, we present a comprehensive demonstration of such a bioinspired approach based on pillar[5]arene artificial water channels, resulting in artificial water channel-based block copolymer membranes. These membranes have a sharp selectivity profile with a molecular weight cutoff of ~ 500 Da, a size range challenging to achieve with current membranes, while achieving a large improvement in permeability (~65 L m -2  h -1  bar -1  compared with 4-7 L m -2  h -1  bar -1 ) over similarly rated commercial membranes.

Modelling of hydrogen permeability of membranes for high-purity hydrogen production

NASA Astrophysics Data System (ADS)

Zaika, Yury V.; Rodchenkova, Natalia I.

2017-11-01

High-purity hydrogen is required for clean energy and a variety of chemical technology processes. Different alloys, which may be well-suited for use in gas-separation plants, were investigated by measuring specific hydrogen permeability. One had to estimate the parameters of diffusion and sorption to numerically model the different scenarios and experimental conditions of the material usage (including extreme ones), and identify the limiting factors. This paper presents a nonlinear mathematical model taking into account the dynamics of sorption-desorption processes and reversible capture of diffusing hydrogen by inhomogeneity of the material’s structure, and also modification of the model when the transport rate is high. The results of numerical modelling allow to obtain information about output data sensitivity with respect to variations of the material’s hydrogen permeability parameters. Furthermore, it is possible to analyze the dynamics of concentrations and fluxes that cannot be measured directly. Experimental data for Ta77Nb23 and V85Ni15 alloys were used to test the model. This work is supported by the Russian Foundation for Basic Research (Project No. 15-01-00744).

Possible role of substance P in the ischemia-reperfusion injury in the isolated rabbit lung.

PubMed

Arreola, José L; Vargas, Mario H; Segura, Patricia; Chávez, Jaime; Sommer, Bettina; Carvajal, Verónica; Montaño, Luis M

2004-07-27

The origin of the endothelial damage leading to the ischemia-reperfusion injury after lung transplantation has not been elucidated. We postulated that neurotransmitters released during the preservation of the donor lung might explain this vascular derangement. Thus, in isolated rabbit lungs preserved over 24 hours, we evaluated the release of acetylcholine (ACh) and substance P (SP), the activity of their major degrading enzymes, acetylcholinesterase (AChE) and neutral endopeptidase (NEP), and changes in the capillary permeability. Both neurotransmitters showed the highest release rate in the first 15 minutes, followed by a sharp exponential decrement at 1, 6, 12 and 24 hours. AChE and NEP activities showed no variation at these time intervals. Basal capillary permeability significantly increased (P<0.01) after 24 hours preservation with saline. This increased permeability was avoided (P<0.01) by the SP fragment 4-11 (an SP receptors antagonist), but not by atropine. These results suggest for the first time a pathogenic role of SP in the ischemia-reperfusion injury, and thus the potential usefulness of SP antagonists as additives in the lung preservation solutions should be explored.

Lattice Boltzmann heat transfer model for permeable voxels

NASA Astrophysics Data System (ADS)

Pereira, Gerald G.; Wu, Bisheng; Ahmed, Shakil

2017-12-01

We develop a gray-scale lattice Boltzmann (LB) model to study fluid flow combined with heat transfer for flow through porous media where voxels may be partially solid (or void). Heat transfer in rocks may lead to deformation, which in turn can modulate the fluid flow and so has significant contribution to rock permeability. The LB temperature field is compared to a finite difference solution of the continuum partial differential equations for fluid flow in a channel. Excellent quantitative agreement is found for both Poiseuille channel flow and Brinkman flow. The LB model is then applied to sample porous media such as packed beds and also more realistic sandstone rock sample, and both the convective and diffusive regimes are recovered when varying the thermal diffusivity. It is found that while the rock permeability can be comparatively small (order milli-Darcy), the temperature field can show significant variation depending on the thermal convection of the fluid. This LB method has significant advantages over other numerical methods such as finite and boundary element methods in dealing with coupled fluid flow and heat transfer in rocks which have irregular and nonsmooth pore spaces.

Heterogeneous porous media: Fronts and noise

NASA Astrophysics Data System (ADS)

Chaouchel, M.; Rakotomalala, N.; Salin, D.; Xu, B.; Yortsos, Y. C.

Capillary effects can be important in immiscible flows in heterogeneous media, particularly at low capillary numbers (Ca). We present experiments and simulations of slow drainage in 3-D porous media, either homogeneous and in the presence of buoyancy or heterogeneous and in its absence. An acoustic technique allows for an accurate study of the 3-D fronts and the cross-over region. Our results suggest that both cases can be described by invasion percolation in a gradient. Both front tails scale with the corresponding Bond numbers as σft≈B-47 in agreement with the theory. An analogous scaling for viscous effects is also given. The noise of these fronts are found correlated in the form of a fractional Brownian motion (fBm) of a Hurst exponent H≈.5. At higher Ca, experiments performed in 3-D porous media with sharp changes in permeability, exhibit a saturation profile response closely linked to the permeability variations. This viscous response to heterogeneity provides an opportunity to investigate and determine correlated (even at all scales, i.e. fBm), permeability fields.

Measurement, analysis and prediction of topical UV filter bioavailability.

PubMed

Roussel, L; Gilbert, E; Salmon, D; Serre, C; Gabard, B; Haftek, M; Maibach, H I; Pirot, F

2015-01-30

The aim of the present study was to objectively quantify and predict bioavailability of three sunscreen agents (i.e., benzophenone-3, 2-ethylhexylsalicylate, and 2 ethylhexyl-4-methoxycinnamate) in epidermis treated by petrolatum and emulsion-based formulations for 7 and 30min on four human volunteers. Profiles of sunscreen agents through stratum corneum (SC), derived from the assessment of chemical amounts in SC layers collected by successive adhesive tape-stripping, were successfully fitted to Fick's second law of diffusion. Therefore, permeability coefficients of sunscreen agents were found lower with petrolatum than with emulsion based formulations confirming the crucial role of vehicle in topical delivery. Furthermore, the robustness of that methodology was confirmed by the linear relationship between the chemical absorption measured after 30min and that predicted from the 7-min exposure experiment. Interestingly, in this dermatopharmacokinetic method, the deconvolution of permeability coefficients in their respective partition coefficients and absorption constants allowed a better understanding of vehicle effects upon topical bioavailability mechanisms and bioequivalence of skin products. Copyright © 2014 Elsevier B.V. All rights reserved.

Assessment of mechanical properties of isolated bovine intervertebral discs from multi-parametric magnetic resonance imaging.

PubMed

Recuerda, Maximilien; Périé, Delphine; Gilbert, Guillaume; Beaudoin, Gilles

2012-10-12

The treatment planning of spine pathologies requires information on the rigidity and permeability of the intervertebral discs (IVDs). Magnetic resonance imaging (MRI) offers great potential as a sensitive and non-invasive technique for describing the mechanical properties of IVDs. However, the literature reported small correlation coefficients between mechanical properties and MRI parameters. Our hypothesis is that the compressive modulus and the permeability of the IVD can be predicted by a linear combination of MRI parameters. Sixty IVDs were harvested from bovine tails, and randomly separated in four groups (in-situ, digested-6h, digested-18h, digested-24h). Multi-parametric MRI acquisitions were used to quantify the relaxation times T1 and T2, the magnetization transfer ratio MTR, the apparent diffusion coefficient ADC and the fractional anisotropy FA. Unconfined compression, confined compression and direct permeability measurements were performed to quantify the compressive moduli and the hydraulic permeabilities. Differences between groups were evaluated from a one way ANOVA. Multi linear regressions were performed between dependent mechanical properties and independent MRI parameters to verify our hypothesis. A principal component analysis was used to convert the set of possibly correlated variables into a set of linearly uncorrelated variables. Agglomerative Hierarchical Clustering was performed on the 3 principal components. Multilinear regressions showed that 45 to 80% of the Young's modulus E, the aggregate modulus in absence of deformation HA0, the radial permeability kr and the axial permeability in absence of deformation k0 can be explained by the MRI parameters within both the nucleus pulposus and the annulus pulposus. The principal component analysis reduced our variables to two principal components with a cumulative variability of 52-65%, which increased to 70-82% when considering the third principal component. The dendograms showed a natural division into four clusters for the nucleus pulposus and into three or four clusters for the annulus fibrosus. The compressive moduli and the permeabilities of isolated IVDs can be assessed mostly by MT and diffusion sequences. However, the relationships have to be improved with the inclusion of MRI parameters more sensitive to IVD degeneration. Before the use of this technique to quantify the mechanical properties of IVDs in vivo on patients suffering from various diseases, the relationships have to be defined for each degeneration state of the tissue that mimics the pathology. Our MRI protocol associated to principal component analysis and agglomerative hierarchical clustering are promising tools to classify the degenerated intervertebral discs and further find biomarkers and predictive factors of the evolution of the pathologies.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, Yun; Wu, Xiaohan; Li, Qifan

Low magnetic loss ferrite composites consisting of Ba(CoTi){sub 1.2}Fe{sub 9.6}O{sub 19} and BiFeO{sub 3} (BFO) ferrite were investigated for permeability, permittivity, and high frequency losses at 10 MHz–1 GHz. The phase fraction of BiFeO{sub 3} was quantitatively analyzed by X-ray diffraction measurements. An effective medium approach was employed to predict the effective permeability and permittivity for the ferrite composites, which was found to be in good agreement with experimental data. The experiment demonstrated low magnetic losses (<0.128), modified by BFO phase fraction, while retaining high permeability (∼10.86) at 300 MHz. More importantly, the BFO phase resulted in a reduction of magnetic lossmore » by 32%, as BFO phase increased from 2.7 vol. % to 12.6 vol. %. The effect of BFO phase on magnetic and dielectric properties revealed great potential for use in the miniaturization of high efficiency antennas.« less

The Ghost in the Machine: Fracking in the Earth's Complex Brittle Crust

NASA Astrophysics Data System (ADS)

Malin, P. E.

2015-12-01

This paper discusses in the impact of complex rock properties on practical applications like fracking and its associated seismic emissions. A variety of borehole measurements show that the complex physical properties of the upper crust cannot be characterized by averages on any scale. Instead they appear to follow 3 empirical rule: a power law distribution in physical scales, a lognormal distribution in populations, and a direct relation between changes in porosity and log(permeability). These rules can be directly related to the presence of fluid rich and seismically active fractures - from mineral grains to fault segments. (These are the "ghosts" referred to in the title.) In other physical systems, such behaviors arise on the boundaries of phase changes, and are studied as "critical state physics". In analogy to the 4 phases of water, crustal rocks progress upward from a un-fractured, ductile lower crust to nearly cohesionless surface alluvium. The crust in between is in an unstable transition. It is in this layer methods such as hydrofracking operate - be they in Oil and Gas, geothermal, or mining. As a result, nothing is predictable in these systems. Crustal models have conventionally been constructed assuming that in situ permeability and related properties are normally distributed. This approach is consistent with the use of short scale-length cores and logs to estimate properties. However, reservoir-scale flow data show that they are better fit to lognormal distributions. Such "long tail" distributions are observed for well productivity, ore vein grades, and induced seismic signals. Outcrop and well-log data show that many rock properties also show a power-law-type variation in scale lengths. In terms of Fourier power spectra, if peaks per km is k, then their power is proportional to 1/k. The source of this variation is related to pore-space connectivity, beginning with grain-fractures. We then show that a passive seismic method, Tomographic Fracture ImagingTM (TFI), can observe the distribution of this connectivity. Combined with TFI data, our fracture-connectivity model reveals the most significant crustal features and account for their range of passive and stimulated behaviors.

Micromechanical Prediction of the Effective Behavior of Fully Coupled Electro-Magneto-Thermo-Elastic Multiphase Composites

NASA Technical Reports Server (NTRS)

Aboudi, Jacob

2000-01-01

The micromechanical generalized method of cells model is employed for the prediction of the effective moduli of electro-magneto-thermo-elastic composites. These include the effective elastic, piezoelectric, piezomagnetic, dielectric, magnetic permeability, electromagnetic coupling moduli, as well as the effective thermal expansion coefficients and the associated pyroelectric and pyromagnetic constants. Results are given for fibrous and periodically bilaminated composites.

Quantitative structure-retention relationships of flavonoids unraveled by immobilized artificial membrane chromatography.

PubMed

Santoro, Adriana Leandra; Carrilho, Emanuel; Lanças, Fernando Mauro; Montanari, Carlos Alberto

2016-06-10

The pharmacokinetic properties of flavonoids with differing degrees of lipophilicity were investigated using immobilized artificial membranes (IAMs) as the stationary phase in high performance liquid chromatography (HPLC). For each flavonoid compound, we investigated whether the type of column used affected the correlation between the retention factors and the calculated octanol/water partition (log Poct). Three-dimensional (3D) molecular descriptors were calculated from the molecular structure of each compound using i) VolSurf software, ii) the GRID method (computational procedure for determining energetically favorable binding sites in molecules of known structure using a probe for calculating the 3D molecular interaction fields, between the probe and the molecule), and iii) the relationship between partition and molecular structure, analyzed in terms of physicochemical descriptors. The VolSurf built-in Caco-2 model was used to estimate compound permeability. The extent to which the datasets obtained from different columns differ both from each other and from both the calculated log Poct and the predicted permeability in Caco-2 cells was examined by principal component analysis (PCA). The immobilized membrane partition coefficients (kIAM) were analyzed using molecular descriptors in partial least square regression (PLS) and a quantitative structure-retention relationship was generated for the chromatographic retention in the cholesterol column. The cholesterol column provided the best correlation with the permeability predicted by the Caco-2 cell model and a good fit model with great prediction power was obtained for its retention data (R(2)=0.96 and Q(2)=0.85 with four latent variables). Copyright © 2015 Elsevier B.V. All rights reserved.

Single- and two-phase flow in microfluidic porous media analogs based on Voronoi tessellation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Mengjie; Xiao, Feng; Johnson-Paben, Rebecca

2012-01-01

The objective of this study was to create a microfluidic model of complex porous media for studying single and multiphase flows. Most experimental porous media models consist of periodic geometries that lend themselves to comparison with well-developed theoretical predictions. However, most real porous media such as geological formations and biological tissues contain a degree of randomness and complexity that is not adequately represented in periodic geometries. To design an experimental tool to study these complex geometries, we created microfluidic models of random homogeneous and heterogeneous networks based on Voronoi tessellations. These networks consisted of approximately 600 grains separated by amore » highly connected network of channels with an overall porosity of 0.11 0.20. We found that introducing heterogeneities in the form of large cavities within the network changed the permeability in a way that cannot be predicted by the classical porosity-permeability relationship known as the Kozeny equation. The values of permeability found in experiments were in excellent agreement with those calculated from three-dimensional lattice Boltzmann simulations. In two-phase flow experiments of oil displacement with water we found that the surface energy of channel walls determined the pattern of water invasion, while the network topology determined the residual oil saturation. These results suggest that complex network topologies lead to fluid flow behavior that is difficult to predict based solely on porosity. The microfluidic models developed in this study using a novel geometry generation algorithm based on Voronoi tessellation are a new experimental tool for studying fluid and solute transport problems within complex porous media.« less

Natural landscape and stream segment attributes influencing the distribution and relative abundance of riverine smallmouth bass in Missouri

USGS Publications Warehouse

Brewer, S.K.; Rabeni, C.F.; Sowa, S.P.; Annis, G.

2007-01-01

Protecting and restoring fish populations on a regional basis are most effective if the multiscale factors responsible for the relative quality of a fishery are known. We spatially linked Missouri's statewide historical fish collections to environmental features in a geographic information system, which was used as a basis for modeling the importance of landscape and stream segment features in supporting a population of smallmouth bass Micropterus dolomieu. Decision tree analyses were used to develop probability-based models to predict statewide occurrence and within-range relative abundances. We were able to identify the range of smallmouth bass throughout Missouri and the probability of occurrence within that range by using a few broad landscape variables: the percentage of coarse-textured soils in the watershed, watershed relief, and the percentage of soils with low permeability in the watershed. The within-range relative abundance model included both landscape and stream segment variables. As with the statewide probability of occurrence model, soil permeability was particularly significant. The predicted relative abundance of smallmouth bass in stream segments containing low percentages of permeable soils was further influenced by channel gradient, stream size, spring-flow volume, and local slope. Assessment of model accuracy with an independent data set showed good concordance. A conceptual framework involving naturally occurring factors that affect smallmouth bass potential is presented as a comparative model for assessing transferability to other geographic areas and for studying potential land use and biotic effects. We also identify the benefits, caveats, and data requirements necessary to improve predictions and promote ecological understanding. ?? Copyright by the American Fisheries Society 2007.

Clay, Water, and Salt: Controls on the Permeability of Fine-Grained Sedimentary Rocks.

PubMed

Bourg, Ian C; Ajo-Franklin, Jonathan B

2017-09-19

The ability to predict the permeability of fine-grained soils, sediments, and sedimentary rocks is a fundamental challenge in the geosciences with potentially transformative implications in subsurface hydrology. In particular, fine-grained sedimentary rocks (shale, mudstone) constitute about two-thirds of the sedimentary rock mass and play important roles in three energy technologies: petroleum geology, geologic carbon sequestration, and radioactive waste management. The problem is a challenging one that requires understanding the properties of complex natural porous media on several length scales. One inherent length scale, referred to hereafter as the mesoscale, is associated with the assemblages of large grains of quartz, feldspar, and carbonates over distances of tens of micrometers. Its importance is highlighted by the existence of a threshold in the core scale mechanical properties and regional scale energy uses of shale formations at a clay content X clay ≈ 1/3, as predicted by an ideal packing model where a fine-grained clay matrix fills the gaps between the larger grains. A second important length scale, referred to hereafter as the nanoscale, is associated with the aggregation and swelling of clay particles (in particular, smectite clay minerals) over distances of tens of nanometers. Mesoscale phenomena that influence permeability are primarily mechanical and include, for example, the ability of contacts between large grains to prevent the compaction of the clay matrix. Nanoscale phenomena that influence permeability tend to be chemomechanical in nature, because they involve strong impacts of aqueous chemistry on clay swelling. The second length scale remains much less well characterized than the first, because of the inherent challenges associated with the study of strongly coupled nanoscale phenomena. Advanced models of the nanoscale properties of fine-grained media rely predominantly on the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory, a mean field theory of colloidal interactions that accurately predicts clay swelling in a narrow range of conditions (low salinity, low compaction, Na + counterion). An important feature of clay swelling that is not predicted by these models is the coexistence, in most conditions of aqueous chemistry and dry bulk density, of two types of pores between parallel smectite particles: mesopores with a pore width of >3 nm that are controlled by long-range interactions (the osmotic swelling regime) and nanopores with a pore width <1 nm that are controlled by short-range interactions (the crystalline swelling regime). Nanogeochemical characterization and simulation techniques, including coarse-grained and all-atom molecular dynamics simulations, hold significant promise for the development of advanced constitutive relations that predict this coexistence and its dependence on aqueous chemistry.

Cellular biophysics during freezing of rat and mouse sperm predicts post-thaw motility.

PubMed

Hagiwara, Mie; Choi, Jeung Hwan; Devireddy, Ramachandra V; Roberts, Kenneth P; Wolkers, Willem F; Makhlouf, Antoine; Bischof, John C

2009-10-01

Though cryopreservation of mouse sperm yields good survival and motility after thawing, cryopreservation of rat sperm remains a challenge. This study was designed to evaluate the biophysics (membrane permeability) of rat in comparison to mouse to better understand the cooling rate response that contributes to cryopreservation success or failure in these two sperm types. In order to extract subzero membrane hydraulic permeability in the presence of ice, a differential scanning calorimeter (DSC) method was used. By analyzing rat and mouse sperm frozen at 5 degrees C/min and 20 degrees C/min, heat release signatures characteristic of each sperm type were obtained and correlated to cellular dehydration. The dehydration response was then fit to a model of cellular water transport (dehydration) by adjusting cell-specific biophysical (membrane hydraulic permeability) parameters L(pg) and E(Lp). A "combined fit" (to 5 degrees C/min and 20 degrees C/min data) for rat sperm in Biggers-Whitten-Whittingham media yielded L(pg) = 0.007 microm min(-1) atm(-1) and E(Lp) = 17.8 kcal/mol, and in egg yolk cryopreservation media yielded L(pg) = 0.005 microm min(-1) atm(-1) and E(Lp) = 14.3 kcal/mol. These parameters, especially the activation energy, were found to be lower than previously published parameters for mouse sperm. In addition, the biophysical responses in mouse and rat sperm were shown to depend on the constituents of the cryopreservation media, in particular egg yolk and glycerol. Using these parameters, optimal cooling rates for cryopreservation were predicted for each sperm based on a criteria of 5%-15% normalized cell water at -30 degrees C during freezing in cryopreservation media. These predicted rates range from 53 degrees C/min to 70 degrees C/min and from 28 degrees C/min to 36 degrees C/min in rat and mouse, respectively. These predictions were validated by comparison to experimentally determined cryopreservation outcomes, in this case based on motility. Maximum motility was obtained with freezing rates between 50 degrees C/min and 80 degrees C/min for rat and at 20 degrees C/min with a sharp drop at 50 degrees C/min for mouse. In summary, DSC experiments on mouse and rat sperm yielded a difference in membrane permeability parameters in the two sperm types that, when implemented in a biophysical model of water transport, reasonably predict different optimal cooling rate outcomes for each sperm after cryopreservation.

The application and limitations of mathematical modelling in the prediction of permeability across mammalian skin and polydimethylsiloxane membranes.

PubMed

Moss, Gary P; Sun, Yi; Wilkinson, Simon C; Davey, Neil; Adams, Rod; Martin, Gary P; Prapopopolou, M; Brown, Marc B

2011-11-01

Predicting the rate of percutaneous absorption of a drug is an important issue with the increasing use of the skin as a means of moderating and controlling drug delivery. One key feature of this problem domain is that human skin permeability (as K(p)) has been shown to be inherently non-linear when mathematically related to the physicochemical parameters of penetrants. As such, the aims of this study were to apply and evaluate Gaussian process (GP) regression methods to datasets for membranes other than human skin, and to explore how the nature of the dataset may influence its analysis. Permeability data for absorption across rodent and pig skin, and artificial membranes (polydimethylsiloxane, PDMS, i.e. Silastic) membranes was collected from the literature. Two quantitative structure-permeability relationship (QSPR) models were used to compare with the GP models. Further performance metrics were computed in terms of all predictions, and a range of covariance functions were examined: the squared exponential (SE), neural network (NNone) and rational quadratic (QR) covariance functions, along with two simple cases of Matern covariance function (Matern3 and Matern5) where the polynomial order is set to 1 and 2, respectively. As measures of performance, the correlation coefficient (CORR), negative log estimated predictive density (NLL, or negative log loss) and mean squared error (MSE) were employed. The results demonstrated that GP models with different covariance functions outperform QSPR models for human, pig and rodent datasets. For the artificial membranes, GPs perform better in one instance, and give similar results in other experiments (where different covariance parameters produce similar results). In some cases, the GP predictions for some of the artificial membrane dataset are poorly correlated, suggesting that the physicochemical parameters employed in this study might not be appropriate for developing models that represent this membrane. While the results of this study indicate that permeation across rodent (mouse and rat) and pig skin is, in a statistical sense, similar, and that the artificial membranes are poor replacements of human or animal skin, the overriding issue raised in this study is the nature of the dataset and how it can influence the results, and subsequent interpretation, of any model produced for particular membranes. The size of the datasets, in both absolute and comparative senses, appears to influence model quality. Ideally, to generate viable cross-comparisons the datasets for different mammalian membranes should, wherever possible, exhibit as much commonality as possible. © 2011 The Authors. JPP © 2011 Royal Pharmaceutical Society.