Stochastic simulation of uranium migration at the Hanford 300 Area.

PubMed

Hammond, Glenn E; Lichtner, Peter C; Rockhold, Mark L

2011-03-01

This work focuses on the quantification of groundwater flow and subsequent U(VI) transport uncertainty due to heterogeneity in the sediment permeability at the Hanford 300 Area. U(VI) migration at the site is simulated with multiple realizations of stochastically-generated high resolution permeability fields and comparisons are made of cumulative water and U(VI) flux to the Columbia River. The massively parallel reactive flow and transport code PFLOTRAN is employed utilizing 40,960 processor cores on DOE's petascale Jaguar supercomputer to simultaneously execute 10 transient, variably-saturated groundwater flow and U(VI) transport simulations within 3D heterogeneous permeability fields using the code's multi-realization simulation capability. Simulation results demonstrate that the cumulative U(VI) flux to the Columbia River is less responsive to fine scale heterogeneity in permeability and more sensitive to the distribution of permeability within the river hyporheic zone and mean permeability of larger-scale geologic structures at the site. Copyright © 2010 Elsevier B.V. All rights reserved.

Influence of plasma modification on hygienic properties of textile fabrics with nonporous membrane coating

NASA Astrophysics Data System (ADS)

Voznesensky, E. F.; Ibragimov, R. G.; Vishnevskaya, O. V.; Sisoev, V. A.; Lutfullina, G. G.; Tihonova, N. V.

2017-11-01

The work investigated the possibility of using plasma modification to improve the hygienic properties of textile materials with nonporous membrane coating to improve vapor-, air-permeability and water-resistant. Determined that, after plasma modification changes degree of supramolecular orderliness of the polymers nonporous membrane coating and the base fabric.

Efficient Permeability Measurement and Numerical Simulation of the Resin Flow in Low Permeability Preform Fabricated by Automated Dry Fiber Placement

NASA Astrophysics Data System (ADS)

Agogue, Romain; Chebil, Naziha; Deleglise-Lagardere, Mylène; Beauchene, Pierre; Park, Chung Hae

2017-10-01

We propose a new experimental method using a Hassler cell and air injection to measure the permeability of fiber preform while avoiding a race tracking effect. This method was proven to be particularly efficient to measure very low through-thickness permeability of preform fabricated by automated dry fiber placement. To validate the reliability of the permeability measurement, the experiments of viscous liquid infusion into the preform with or without a distribution medium were performed. The experimental data of flow front advancement was compared with the numerical simulation result using the permeability values obtained by the Hassler cell permeability measurement set-up as well as by the liquid infusion experiments. To address the computational cost issue, the model for the equivalent permeability of distribution medium was employed in the numerical simulation of liquid flow. The new concept using air injection and Hassler cell for the fiber preform permeability measurement was shown to be reliable and efficient.

Tailoring the affinity of organosilica membranes by introducing polarizable ethenylene bridges and aqueous ozone modification.

PubMed

Xu, Rong; Kanezashi, Masakoto; Yoshioka, Tomohisa; Okuda, Tetsuji; Ohshita, Joji; Tsuru, Toshinori

2013-07-10

Bis(triethoxysilyl)ethylene (BTESEthy) was used as a novel precursor to develop a microporous organosilica membrane via the sol-gel technique. Water sorption measurements confirmed that ethenylene-bridged BTESEthy networks had a higher affinity for water than that of ethane-bridged organosilica materials. High permeance of CO2 with high CO2/N2 selectivity was explained relative to the strong CO2 adsorption on the network with π-bond electrons. The introduction of polarizable and rigid ethenylene bridges in the network structure led to improved water permeability and high NaCl rejection (>98.5%) in reverse osmosis (RO). Moreover, the aqueous ozone modification promoted significant improvement in the water permeability of the membrane. After 60 min of ozone exposure, the water permeability reached 1.1 × 10(-12) m(3)/(m(2) s Pa), which is close to that of a commercial seawater RO membrane. Meanwhile, molecular weight cutoff measurements indicated a gradual increase in the effective pore size with ozone modification, which may present new options for fine-tuning of membrane pore sizes.

On the Frozen Soil Scheme for High Latitude Regions

NASA Astrophysics Data System (ADS)

Ganji, A.; Sushama, L.

2014-12-01

Regional and global climate model simulated streamflows for high-latitude regions show systematic biases, particularly in the timing and magnitude of spring peak flows. Though these biases could be related to the snow water equivalent and spring temperature biases in models, a good part of these biases is due to the unaccounted effects of non-uniform infiltration capacity of the frozen ground and other related processes. In this paper, the frozen scheme in the Canadian Land Surface Scheme (CLASS), which is used in the Canadian regional and global climate models, is modified to include fractional permeable area, supercooled liquid water and a new formulation for hydraulic conductivity. Interflow is also included in these experiments presented in this study to better explain the steamflows after snow melt season. The impact of these modifications on the regional hydrology, particularly streamflow, is assessed by comparing three simulations, performed with the original and two modified versions of CLASS, driven by atmospheric forcing data from the European Centre for Medium-Range Weather Forecasts (ECMWF) reanalysis data (ERA-Interim), for the 1990-2001 period, over a northeast Canadian domain. The two modified versions of CLASS differ in the soil hydraulic conductivity and matric potential formulations, with one version being based on formulations from a previous study and the other one is newly proposed. Results suggest statistically significant decreases in infiltration for the simulation with the new hydraulic conductivity and matric potential formulations and fractional permeable area concept, compared to the original version of CLASS, which is also reflected in the increased spring surface runoff and streamflows in this simulation with modified CLASS, over most of the study domain. The simulated spring peaks and their timing in this simulation is also in better agreement to those observed.

Biopolymer system for permeability modification in porous media

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

Stepp, A.K.; Bryant, R.S.; Llave, F.M.

1995-12-31

New technologies are needed to reduce the current high rate of well abandonment. Improved sweep efficiency, reservoir conformance, and permeability modification can have a significant impact on oil recovery processes. Microorganisms can be used to selectively plug high-permeability zones to improve sweep efficiency and impart conformance control. Studies of a promising microbial system for polymer production were conducted to evaluate reservoir conditions in which this system would be effective. Factors which can affect microbial growth and polymer production include salinity, pH, temperature, divalent ions, presence of residual oil, and rock matrix. Flask tests and coreflooding experiments were conducted to optimizemore » and evaluate the effectiveness of this system. Nuclear magnetic resonance imaging (NMRI) was used to visualize microbial polymer production in porous media. Changes in fluid distribution within the pore system of the core were detected.« less

Chronic uremia induces permeability changes, increased nitric oxide synthase expression, and structural modifications in the peritoneum.

PubMed

Combet, S; Ferrier, M L; Van Landschoot, M; Stoenoiu, M; Moulin, P; Miyata, T; Lameire, N; Devuyst, O

2001-10-01

Advanced glycation end products (AGE), growth factors, and nitric oxide contribute to alterations of the peritoneum during peritoneal dialysis (PD). These mediators are also involved in chronic uremia, a condition associated with increased permeability of serosal membranes. It is unknown whether chronic uremia per se modifies the peritoneum before PD initiation. A rat model of subtotal nephrectomy was used to measure peritoneal permeability after 3, 6, and 9 wk, in parallel with peritoneal nitric oxide synthase (NOS) isoform expression and activity and structural changes. Uremic rats were characterized by a higher peritoneal permeability for small solutes and an increased NOS activity due to the up-regulation of endothelial and neuronal NOS. The permeability changes and increased NOS activities correlated with the degree of renal failure. Focal areas of vascular proliferation and fibrosis were detected in uremic rats, in relation with a transient up-regulation of vascular endothelial growth factor and basic fibroblast growth factor, as well as vascular deposits of the AGE carboxymethyllysine and pentosidine. Correction of anemia with erythropoietin did not prevent the permeability or structural changes in uremic rats. Thus, in this rat model, uremia induces permeability and structural changes in the peritoneum, in parallel with AGE deposits and up-regulation of specific NOS isoforms and growth factors. These data suggest an independent contribution of uremia in the peritoneal changes during PD and offer a paradigm to better understand the modifications of serosal membranes in uremia.

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.

Cyclosporin A inhibits UV-radiation-induced membrane damage but is unable to inhibit carboxyatractyloside-induced permeability transition.

PubMed

García, Noemí; Zazueta, Cecilia; El-Hafidi, Mohammed; Pavón, Natalia; Martínez-Abundis, Eduardo; Hernández-Esquivel, Luz; Chávez, Edmundo

2009-11-01

This work was undertaken to gain further information on the chemical characteristics of the membrane entity involved in the formation of the nonspecific pore. Mitochondria were subjected to oxidative stress by exposure to UV radiation. The results indicate that ultraviolet C radiation induces structural modifications in the adenine nucleotide translocase that lead to membrane permeability transition. Membrane leakage was assessed by measuring mitochondrial Ca2+ transport, the transmembrane electric gradient, and mitochondrial swelling. UV-irradiated mitochondria were unable to retain matrix Ca2+ or to maintain a high level of membrane potential when Ca2+ was added; furthermore, UV-irradiated mitochondria underwent large amplitude swelling. Release of cytochrome c and formation of malondialdehyde, owing to lipid peroxidation, were also seen. Structural modifications of the translocase were revealed by an increase in the binding of the fluorescent probe eosin-5-maleimide to thiol residues of the ADP/ATP carrier. These modifications, taken together with findings indicating that cyclosporin resulted unable to inhibit carboxyatractyloside-induced permeability transition, prompted us to conclude that the translocase could constitute the nonspecific pore or at least be an important modulator of it.

Pore-Scale Simulation and Sensitivity Analysis of Apparent Gas Permeability in Shale Matrix

PubMed Central

Zhang, Pengwei; Hu, Liming; Meegoda, Jay N.

2017-01-01

Extremely low permeability due to nano-scale pores is a distinctive feature of gas transport in a shale matrix. The permeability of shale depends on pore pressure, porosity, pore throat size and gas type. The pore network model is a practical way to explain the macro flow behavior of porous media from a microscopic point of view. In this research, gas flow in a shale matrix is simulated using a previously developed three-dimensional pore network model that includes typical bimodal pore size distribution, anisotropy and low connectivity of the pore structure in shale. The apparent gas permeability of shale matrix was calculated under different reservoir pressures corresponding to different gas exploitation stages. Results indicate that gas permeability is strongly related to reservoir gas pressure, and hence the apparent permeability is not a unique value during the shale gas exploitation, and simulations suggested that a constant permeability for continuum-scale simulation is not accurate. Hence, the reservoir pressures of different shale gas exploitations should be considered. In addition, a sensitivity analysis was also performed to determine the contributions to apparent permeability of a shale matrix from petro-physical properties of shale such as pore throat size and porosity. Finally, the impact of connectivity of nano-scale pores on shale gas flux was analyzed. These results would provide an insight into understanding nano/micro scale flows of shale gas in the shale matrix. PMID:28772465

Pore-Scale Simulation and Sensitivity Analysis of Apparent Gas Permeability in Shale Matrix.

PubMed

Zhang, Pengwei; Hu, Liming; Meegoda, Jay N

2017-01-25

Extremely low permeability due to nano-scale pores is a distinctive feature of gas transport in a shale matrix. The permeability of shale depends on pore pressure, porosity, pore throat size and gas type. The pore network model is a practical way to explain the macro flow behavior of porous media from a microscopic point of view. In this research, gas flow in a shale matrix is simulated using a previously developed three-dimensional pore network model that includes typical bimodal pore size distribution, anisotropy and low connectivity of the pore structure in shale. The apparent gas permeability of shale matrix was calculated under different reservoir pressures corresponding to different gas exploitation stages. Results indicate that gas permeability is strongly related to reservoir gas pressure, and hence the apparent permeability is not a unique value during the shale gas exploitation, and simulations suggested that a constant permeability for continuum-scale simulation is not accurate. Hence, the reservoir pressures of different shale gas exploitations should be considered. In addition, a sensitivity analysis was also performed to determine the contributions to apparent permeability of a shale matrix from petro-physical properties of shale such as pore throat size and porosity. Finally, the impact of connectivity of nano-scale pores on shale gas flux was analyzed. These results would provide an insight into understanding nano/micro scale flows of shale gas in the shale matrix.

Modeling of time-lapse multi-scale seismic monitoring of CO2 injected into a fault zone to enhance the characterization of permeability in enhanced geothermal systems

NASA Astrophysics Data System (ADS)

Zhang, R.; Borgia, A.; Daley, T. M.; Oldenburg, C. M.; Jung, Y.; Lee, K. J.; Doughty, C.; Altundas, B.; Chugunov, N.; Ramakrishnan, T. S.

2017-12-01

Subsurface permeable faults and fracture networks play a critical role for enhanced geothermal systems (EGS) by providing conduits for fluid flow. Characterization of the permeable flow paths before and after stimulation is necessary to evaluate and optimize energy extraction. To provide insight into the feasibility of using CO2 as a contrast agent to enhance fault characterization by seismic methods, we model seismic monitoring of supercritical CO2 (scCO2) injected into a fault. During the CO2 injection, the original brine is replaced by scCO2, which leads to variations in geophysical properties of the formation. To explore the technical feasibility of the approach, we present modeling results for different time-lapse seismic methods including surface seismic, vertical seismic profiling (VSP), and a cross-well survey. We simulate the injection and production of CO2 into a normal fault in a system based on the Brady's geothermal field and model pressure and saturation variations in the fault zone using TOUGH2-ECO2N. The simulation results provide changing fluid properties during the injection, such as saturation and salinity changes, which allow us to estimate corresponding changes in seismic properties of the fault and the formation. We model the response of the system to active seismic monitoring in time-lapse mode using an anisotropic finite difference method with modifications for fracture compliance. Results to date show that even narrow fault and fracture zones filled with CO2 can be better detected using the VSP and cross-well survey geometry, while it would be difficult to image the CO2 plume by using surface seismic methods.

Nano filter from sintered rice husk silica membrane.

PubMed

Lee, Soo Young; Han, Chong Soo

2006-11-01

A nano filter showing the Knudsen flow was demonstrated by a modification of a membrane constructed from rice husk silica. The membrane was prepared by pressing and sintering micron sized rice husk silica with 4 nm pores. The membrane showed a permeability of 5.2 x 10(-8) mol m(-1) sec(-1) Pa(-1) for H2 and ratios of gas permeability 2.1 and 3.2 for k(H2)/k(CH4) and k(H2)/k(CO2), respectively. When the membrane was treated by filtration of approximately 100 nm sized rice husk silica particles, the permeability decreased to 4.9 x 10(-8) mol m(-1) sec(-1) Pa(-1) and the ratios increased to 2.2 and 3.4. In the case of the membrane after treatments with the dispersion and chemical deposition of tetraethylorthosilicate (TEOS), the corresponding permeability and ratios of the membrane were 1.8 x 10(-8) mol m(-1) sec(-1) Pa(-1), and 2.9 and 4.5, respectively. From the change of the ratio of gas permeability for the membrane with modifications, it is suggested that approximately 100 nm sized rice husk silica particles pack the large pores among the micron sized rice husk silica particles while the chemical deposition of tetraethylorthosilicate (TEOS) reveals the gas flow through 4 nm pores in the rice husk silica by blocking large pores.

Hydromechanical heterogeneities of a mature fault zone: impacts on fluid flow.

PubMed

Jeanne, Pierre; Guglielmi, Yves; Cappa, Frédéric

2013-01-01

In this paper, fluid flow is examined for a mature strike-slip fault zone with anisotropic permeability and internal heterogeneity. The hydraulic properties of the fault zone were first characterized in situ by microgeophysical (VP and σc ) and rock-quality measurements (Q-value) performed along a 50-m long profile perpendicular to the fault zone. Then, the local hydrogeological context of the fault was modified to conduct a water-injection test. The resulting fluid pressures and flow rates through the different fault-zone compartments were then analyzed with a two-phase fluid-flow numerical simulation. Fault hydraulic properties estimated from the injection test signals were compared to the properties estimated from the multiscale geological approach. We found that (1) the microgeophysical measurements that we made yield valuable information on the porosity and the specific storage coefficient within the fault zone and (2) the Q-value method highlights significant contrasts in permeability. Fault hydrodynamic behavior can be modeled by a permeability tensor rotation across the fault zone and by a storativity increase. The permeability tensor rotation is linked to the modification of the preexisting fracture properties and to the development of new fractures during the faulting process, whereas the storativity increase results from the development of micro- and macrofractures that lower the fault-zone stiffness and allows an increased extension of the pore space within the fault damage zone. Finally, heterogeneities internal to the fault zones create complex patterns of fluid flow that reflect the connections of paths with contrasting properties. © 2013, The Author(s). Ground Water © 2013, National Ground Water Association.

Influence of capillary end effects on steady-state relative permeability estimates from direct pore-scale simulations

NASA Astrophysics Data System (ADS)

Guédon, Gaël Raymond; Hyman, Jeffrey De'Haven; Inzoli, Fabio; Riva, Monica; Guadagnini, Alberto

2017-12-01

We investigate and characterize the influence of capillary end effects on steady-state relative permeabilities obtained in pore-scale numerical simulations of two-phase flows. Our study is motivated by the observation that capillary end effects documented in two-phase laboratory-scale experiments can significantly influence permeability estimates. While numerical simulations of two-phase flows in reconstructed pore-spaces are increasingly employed to characterize relative permeabilities, a phenomenon which is akin to capillary end effects can also arise in such analyses due to the constraints applied at the boundaries of the computational domain. We profile the relative strength of these capillary end effects on the calculation of steady-state relative permeabilities obtained within randomly generated porous micro-structures using a finite volume-based two-phase flow solver. We suggest a procedure to estimate the extent of the regions influenced by these capillary end effects, which in turn allows for the alleviation of bias in the estimation of relative permeabilities.

Rock-Fluid Interactions Under Stress: How Rock Microstructure Controls The Evolution of Porosity and Permeability

NASA Astrophysics Data System (ADS)

Vanorio, T.

2016-12-01

Monitoring chemo-mechanical processes geophysically — e.g., fluid disposal or storage, thermal and chemical stimulation of reservoirs, or natural fluids simply entering a new system in the subsurface— raises numerous concerns because of the likelihood of fluid-rock chemical interactions and our limited ability to decipher the geophysical signature of coupled processes. One of the missing links is coupling the evolution of porosity, permeability, and velocity of rocks together with reactive transport, since rocks deform and their microstructure evolves, as a result of chemical reactions under stress. This study describes recent advances in rock-physics experiments to understand the effects of dissolution-induced compaction on acoustic velocity, porosity, and permeability. Data observation includes time-lapse experiments and imaging tracking transport and elastic properties, the rock microstructure, and the pH and chemical composition of the fluid permeating the rock. Results show that the removal of high surface area, mineral phases such as microcrystalline calcite and clay appears to be mostly responsible for dissolution-induced compaction. Nevertheless, it is the original rock microstructure and its response to stress that ultimately defines how solution-transfer and rock compaction feed back upon each other. This work has a dual aim: understanding the mechanisms underlying permanent modifications to the rock microstructure and providing a richer set of experimental information to inform the formulation of new simulations and rock modeling.

Thermodynamically consistent model of brittle oil shales under overpressure

NASA Astrophysics Data System (ADS)

Izvekov, Oleg

2016-04-01

The concept of dual porosity is a common way for simulation of oil shale production. In the frame of this concept the porous fractured media is considered as superposition of two permeable continua with mass exchange. As a rule the concept doesn't take into account such as the well-known phenomenon as slip along natural fractures, overpressure in low permeability matrix and so on. Overpressure can lead to development of secondary fractures in low permeability matrix in the process of drilling and pressure reduction during production. In this work a new thermodynamically consistent model which generalizes the model of dual porosity is proposed. Particularities of the model are as follows. The set of natural fractures is considered as permeable continuum. Damage mechanics is applied to simulation of secondary fractures development in low permeability matrix. Slip along natural fractures is simulated in the frame of plasticity theory with Drucker-Prager criterion.

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

Evaluation of the artificial membrane permeability of drugs by digital simulation.

PubMed

Nakamura, Mayumi; Osakai, Toshiyuki

2016-08-25

A digital simulation method has been developed for evaluating the membrane permeability of drugs in the parallel artificial membrane permeation assay (PAMPA). The simulation results have shown that the permeability coefficient (log Ppampa) of drugs is linearly increased with increasing their distribution coefficient (log KD,M) to the lipid membrane, i.e., the hydrophobicity of the drug molecules. However, log Ppampa shows signs of leveling off for highly hydrophobic drugs. Such a dependence of log Ppampa is in harmony with the reported experimental data, and has been well explained in terms of the change in the rate-determining step from the diffusion in the membrane to that in the unstirred water layer (UWL) on both sides of the membrane. Additionally, the effects of several factors, including lag time, diffusion coefficient, pH, and pKa, on the permeability coefficient have been well simulated. It has thus been suggested that the proposed method should be promising for in silico evaluation of the membrane permeability of drugs. Copyright © 2016 Elsevier B.V. All rights reserved.

Investigation of the Profile Control Mechanisms of Dispersed Particle Gel

PubMed Central

Zhao, Guang; Dai, Caili; Zhao, Mingwei

2014-01-01

Dispersed particle gel (DPG) particles of nano- to micron- to mm-size have been prepared successfully and will be used for profile control treatment in mature oilfields. The profile control and enhanced oil recovery mechanisms of DPG particles have been investigated using core flow tests and visual simulation experiments. Core flow test results show that DPG particles can easily be injected into deep formations and can effectively plug the high permeability zones. The high profile improvement rate improves reservoir heterogeneity and diverts fluid into the low permeability zone. Both water and oil permeability were reduced when DPG particles were injected, but the disproportionate permeability reduction effect was significant. Water permeability decreases more than the oil permeability to ensure that oil flows in its own pathways and can easily be driven out. Visual simulation experiments demonstrate that DPG particles can pass directly or by deformation through porous media and enter deep formations. By retention, adsorption, trapping and bridging, DPG particles can effectively reduce the permeability of porous media in high permeability zones and divert fluid into a low permeability zone, thus improving formation profiles and enhancing oil recovery. PMID:24950174

Summary of aluminum nitrate tests at the F/H-ETF

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

McCabe, D.J.; Wiggins, A.W.

1992-05-01

Biofouling of the Norton ceramic filters in the F/H Effluent Treatment Facility (ETF) has been minimized by bacterial control strategies on the influent streams. However, enough bacteria still exists in the routine influent to impact the filter performance. One method of remediating biofouling in routine influent, initially observed in laboratory tests on simulant solutions, involves addition of aluminum nitrate to the influent wastewater. Tests on actual feed at the ETF using aluminum nitrate showed significantly improved performance, with increases in filter permeability of up to four-fold compared to the baseline case. These improvements were only realized after modifications to themore » pH adjustment system were completed which minimized upsets in the pH of the feed solutions.« less

Impact Of Three-Phase Relative Permeability and Hysteresis Models On Forecasts of Storage Associated with CO2-EOR

NASA Astrophysics Data System (ADS)

Jia, W.; Pan, F.; McPherson, B. J. O. L.

2015-12-01

Due to the presence of multiple phases in a given system, CO2 sequestration with enhanced oil recovery (CO2-EOR) includes complex multiphase flow processes compared to CO2 sequestration in deep saline aquifers (no hydrocarbons). Two of the most important factors are three-phase relative permeability and hysteresis effects, both of which are difficult to measure and are usually represented by numerical interpolation models. The purposes of this study included quantification of impacts of different three-phase relative permeability models and hysteresis models on CO2 sequestration simulation results, and associated quantitative estimation of uncertainty. Four three-phase relative permeability models and three hysteresis models were applied to a model of an active CO2-EOR site, the SACROC unit located in western Texas. To eliminate possible bias of deterministic parameters on the evaluation, a sequential Gaussian simulation technique was utilized to generate 50 realizations to describe heterogeneity of porosity and permeability, initially obtained from well logs and seismic survey data. Simulation results of forecasted pressure distributions and CO2 storage suggest that (1) the choice of three-phase relative permeability model and hysteresis model have noticeable impacts on CO2 sequestration simulation results; (2) influences of both factors are observed in all 50 realizations; and (3) the specific choice of hysteresis model appears to be somewhat more important relative to the choice of three-phase relative permeability model in terms of model uncertainty.

Numerical simulation model of hyperacute/acute stage white matter infarction.

PubMed

Sakai, Koji; Yamada, Kei; Oouchi, Hiroyuki; Nishimura, Tsunehiko

2008-01-01

Although previous studies have revealed the mechanisms of changes in diffusivity (apparent diffusion coefficient [ADC]) in acute brain infarction, changes in diffusion anisotropy (fractional anisotropy [FA]) in white matter have not been examined. We hypothesized that membrane permeability as well as axonal swelling play important roles, and we therefore constructed a simulation model using random walk simulation to replicate the diffusion of water molecules. We implemented a numerical diffusion simulation model of normal and infarcted human brains using C++ language. We constructed this 2-pool model using simple tubes aligned in a single direction. Random walk simulation diffused water. Axon diameters and membrane permeability were then altered in step-wise fashion. To estimate the effects of axonal swelling, axon diameters were changed from 6 to 10 microm. Membrane permeability was altered from 0% to 40%. Finally, both elements were combined to explain increasing FA in the hyperacute stage of white matter infarction. The simulation demonstrated that simple water shift into the intracellular space reduces ADC and increases FA, but not to the extent expected from actual human cases (ADC approximately 50%; FA approximately +20%). Similarly, membrane permeability alone was insufficient to explain this phenomenon. However, a combination of both factors successfully replicated changes in diffusivity indices. Both axonal swelling and reduced membrane permeability appear important in explaining changes in ADC and FA based on eigenvalues in hyperacute-stage white matter infarction.

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.

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.

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.

Towards Enhanced Performance Thin-film Composite Membranes via Surface Plasma Modification

PubMed Central

Reis, Rackel; Dumée, Ludovic F.; Tardy, Blaise L.; Dagastine, Raymond; Orbell, John D.; Schutz, Jürg A.; Duke, Mikel C.

2016-01-01

Advancing the design of thin-film composite membrane surfaces is one of the most promising pathways to deal with treating varying water qualities and increase their long-term stability and permeability. Although plasma technologies have been explored for surface modification of bulk micro and ultrafiltration membrane materials, the modification of thin film composite membranes is yet to be systematically investigated. Here, the performance of commercial thin-film composite desalination membranes has been significantly enhanced by rapid and facile, low pressure, argon plasma activation. Pressure driven water desalination tests showed that at low power density, flux was improved by 22% without compromising salt rejection. Various plasma durations and excitation powers have been systematically evaluated to assess the impact of plasma glow reactions on the physico-chemical properties of these materials associated with permeability. With increasing power density, plasma treatment enhanced the hydrophilicity of the surfaces, where water contact angles decreasing by 70% were strongly correlated with increased negative charge and smooth uniform surface morphology. These results highlight a versatile chemical modification technique for post-treatment of commercial membrane products that provides uniform morphology and chemically altered surface properties. PMID:27363670

A system to measure minute hydraulic permeability of nanometer scale devices in a non-destructive manner

NASA Astrophysics Data System (ADS)

Smith, Ross A.; Fleischman, Aaron J.; Fissell, William H.; Zorman, Christian A.; Roy, Shuvo

2011-04-01

We report an automated system for measuring the hydraulic permeability of nanoporous membranes in a tangential-flow configuration. The system was designed and built specifically for micromachined silicon nanoporous membranes (SNM) with monodisperse slit-shaped pores. These novel membranes are under development for water filtration, artificial organ and drug delivery applications. The filtration cell permits non-destructive testing of the membrane over many remove-modify-replace testing cycles, allowing for direct experiments into the effects of surface modifications on such membranes. The experimental apparatus was validated using microfluidic tubing with circular cross sections that provided similar fluidic resistances to SNM. Further validation was performed with SNM chips for which the pore dimensions were known from scanning electron microscopy measurements. The system was then used to measure the hydraulic permeability of nanoporous membranes before and after surface modification. The system yields measurements with low variance and excellent agreement with predicted values, providing a platform for determining pore sizes in micro/nanofluidic systems with tight pore size distributions to a higher degree of precision than can be achieved with traditional techniques.

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.

Calculating the permeability coefficients of mixed matrix membranes of polydimethylsiloxane and silicalite crystals to various ethanol-water solutions using molecular simulations.

EPA Science Inventory

The permeability coefficients of mixed matrix membranes of polydimethylsiloxane (PDMS) and silicalite crystal are taken as the sum of the permeability coefficients of membrane components each weighted by their associated mass fraction. The permeability coefficient of a membrane c...

Permeability of DOPC bilayers under photoinduced oxidation: Sensitivity to photosensitizer.

PubMed

Bacellar, Isabel O L; Baptista, Mauricio S; Junqueira, Helena C; Wainwright, Mark; Thalmann, Fabrice; Marques, Carlos M; Schroder, André P

2018-06-07

The modification of lipid bilayer permeability is one of the most striking yet poorly understood physical transformations that follow photoinduced lipid oxidation. We have recently proposed that the increase of permeability of photooxidized 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) bilayers is controlled by the time required by the oxidized lipid species to diffuse and aggregate into pores. Here we further probe this mechanism by studying photosensitization of DOPC membranes by methylene blue (MB) and DO15, a more hydrophobic phenothiazinium photosensitizer, under different irradiation powers. Our results not only reveal the interplay between the production rate and the diffusion of the oxidized lipids, but highlight also the importance of photosensitizer localization in the kinetics of oxidized membrane permeability. Copyright © 2018. Published by Elsevier B.V.

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 Influence of Preferential Flow on Pressure Propagation and Landslide Triggering of the Rocca Pitigliana Landslide

NASA Astrophysics Data System (ADS)

Shao, W.; Bogaard, T.; Bakker, M.; Berti, M.; Savenije, H. H. G.

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.

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.

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.

Plasma membrane microorganization of LR73 multidrug-resistant cells revealed by FCS

NASA Astrophysics Data System (ADS)

Winckler, Pascale; Jaffiol, Rodolphe; Cailler, Aurélie; Morjani, Hamid; Jeannesson, Pierre; Deturche, Régis

2011-03-01

Tumoral cells could present a multidrug resistance (MDR) to chemotherapeutic treatments. This drug resistance would be associated to biomechanisms occurring at the plasma membrane level, involving modification of membrane fluidity, drug permeability, presence of microdomains (rafts, caveolae...), and membrane proteins overexpression such as Pglycoprotein. Fluorescence correlation spectroscopy (FCS) is the relevant method to investigate locally the fluidity of biological membranes through the lateral diffusion of a fluorescent membrane probe. Thus, we use FCS to monitor the plasma membrane local organization of LR73 carcinoma cells and three derived multidrug-resistant cancer cells lines. Measurements were conducted at the single cell level, which enabled us to get a detailed overview of the plasma membrane microviscosity distribution of each cell line studied. Moreover, we propose 2D diffusion simulation based on a Monte Carlo model to investigate the membrane organisation in terms of microdomains. This simulation allows us to relate the differences in the fluidity distributions with microorganization changes in plasma membrane of MDR cells.

A Film Depositional Model of Permeability for Mineral Reactions in Unsaturated Media.

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

Freedman, Vicky L.; Saripalli, Prasad; Bacon, Diana H.

2004-11-15

A new modeling approach based on the biofilm models of Taylor et al. (1990, Water Resources Research, 26, 2153-2159) has been developed for modeling changes in porosity and permeability in saturated porous media and implemented in an inorganic reactive transport code. Application of the film depositional models to mineral precipitation and dissolution reactions requires that calculations of mineral films be dynamically changing as a function of time dependent reaction processes. Since calculations of film thicknesses do not consider mineral density, results show that the film porosity model does not adequately describe volumetric changes in the porous medium. These effects canmore » be included in permeability calculations 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. Model simulations demonstrate that an important difference between the biofilm and mineral film models is in the translation of changes in mineral radii to changes in pore space. Including the effect of tortuosity on pore radii changes improves the performance of the Mualem permeability model for both precipitation and dissolution. Results from simulation of simultaneous dissolution and secondary mineral precipitation provides reasonable estimates of porosity and permeability. Moreover, a comparison of experimental and simulated data show that the model yields qualitatively reasonable results for permeability changes due to solid-aqueous phase reactions.« less

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.

Development and characterization of a new oral dapsone nanoemulsion system: permeability and in silico bioavailability studies

PubMed Central

Monteiro, Lidiane M; Lione, Viviane F; do Carmo, Flavia A; do Amaral, Lilian H; da Silva, Julianna H; Nasciutti, Luiz E; Rodrigues, Carlos R; Castro, Helena C; de Sousa, Valeria P; Cabral, Lucio M

2012-01-01

Background Dapsone is described as being active against Mycobacterium leprae, hence its role in the treatment of leprosy and related pathologies. Despite its therapeutic potential, the low solubility of dapsone in water results in low bioavailability and high microbial resistance. Nanoemulsions are pharmaceutical delivery systems derived from micellar solutions with a good capacity for improving absorption. The aim of this work was to develop and compare the permeability of a series of dapsone nanoemulsions in Caco-2 cell culture against that of effective permeability in the human body simulated using Gastroplus™ software. Methods and results The release profiles of the dapsone nanoemulsions using different combinations of surfactants and cosolvent showed a higher dissolution rate in simulated gastric and enteric fluid than did the dispersed dapsone powder. The drug release kinetics were consistent with a Higuchi model. Conclusion This comparison of dapsone permeability in Caco-2 cells with effective permeability in the human body simulated by Gastroplus showed a good correlation and indicates potential improvement in the biodisponibility of dapsone using this new system. PMID:23055729

Simulations of Brady's-Type Fault Undergoing CO2 Push-Pull: Pressure-Transient and Sensitivity Analysis

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

Jung, Yoojin; Doughty, Christine

Input and output files used for fault characterization through numerical simulation using iTOUGH2. The synthetic data for the push period are generated by running a forward simulation (input parameters are provided in iTOUGH2 Brady GF6 Input Parameters.txt [InvExt6i.txt]). In general, the permeability of the fault gouge, damage zone, and matrix are assumed to be unknown. The input and output files are for the inversion scenario where only pressure transients are available at the monitoring well located 200 m above the injection well and only the fault gouge permeability is estimated. The input files are named InvExt6i, INPUT.tpl, FOFT.ins, CO2TAB, andmore » the output files are InvExt6i.out, pest.fof, and pest.sav (names below are display names). The table graphic in the data files below summarizes the inversion results, and indicates the fault gouge permeability can be estimated even if imperfect guesses are used for matrix and damage zone permeabilities, and permeability anisotropy is not taken into account.« less

Development and characterization of a new oral dapsone nanoemulsion system: permeability and in silico bioavailability studies.

PubMed

Monteiro, Lidiane M; Lione, Viviane F; do Carmo, Flavia A; do Amaral, Lilian H; da Silva, Julianna H; Nasciutti, Luiz E; Rodrigues, Carlos R; Castro, Helena C; de Sousa, Valeria P; Cabral, Lucio M

2012-01-01

Dapsone is described as being active against Mycobacterium leprae, hence its role in the treatment of leprosy and related pathologies. Despite its therapeutic potential, the low solubility of dapsone in water results in low bioavailability and high microbial resistance. Nanoemulsions are pharmaceutical delivery systems derived from micellar solutions with a good capacity for improving absorption. The aim of this work was to develop and compare the permeability of a series of dapsone nanoemulsions in Caco-2 cell culture against that of effective permeability in the human body simulated using Gastroplus™ software. The release profiles of the dapsone nanoemulsions using different combinations of surfactants and cosolvent showed a higher dissolution rate in simulated gastric and enteric fluid than did the dispersed dapsone powder. The drug release kinetics were consistent with a Higuchi model. This comparison of dapsone permeability in Caco-2 cells with effective permeability in the human body simulated by Gastroplus showed a good correlation and indicates potential improvement in the biodisponibility of dapsone using this new system.

Measuring Permeability of Composite Cryotank Laminants

NASA Technical Reports Server (NTRS)

Oliver, Stanley T.; Selvidge, Shawn; Watwood, Michael C.

2004-01-01

This paper describes a test method developed to identify whether certain materials and material systems are suitable candidates for large pressurized reusable cryogenic tanks intended for use in current and future manned launch systems. It provides a quick way to screen numerous candidate materials for permeability under anticipated loading environments consistent with flight conditions, as well as addressing reusability issues. cryogenic tank, where the major design issue was hydrogen permeability. It was successfully used to evaluate samples subjected to biaxial loading while maintaining test temperatures near liquid hydrogen. After each sample was thermally preconditioned, a cyclic pressure load was applied to simulate the in-plane strain. First permeability was measured while a sample was under load. Then the sample was unloaded and allowed to return to ambient temperature. The test was repeated to simulate reusability, in order to evaluate its effects on material permeability.

Study of Gas Flow Characteristics in Tight Porous Media with a Microscale Lattice Boltzmann Model

PubMed Central

Zhao, Jianlin; Yao, Jun; Zhang, Min; Zhang, Lei; Yang, Yongfei; Sun, Hai; An, Senyou; Li, Aifen

2016-01-01

To investigate the gas flow characteristics in tight porous media, a microscale lattice Boltzmann (LB) model with the regularization procedure is firstly adopted to simulate gas flow in three-dimensional (3D) digital rocks. A shale digital rock and a sandstone digital rock are reconstructed to study the effects of pressure, temperature and pore size on microscale gas flow. The simulation results show that because of the microscale effect in tight porous media, the apparent permeability is always higher than the intrinsic permeability, and with the decrease of pressure or pore size, or with the increase of temperature, the difference between apparent permeability and intrinsic permeability increases. In addition, the Knudsen numbers under different conditions are calculated and the results show that gas flow characteristics in the digital rocks under different Knudsen numbers are quite different. With the increase of Knudsen number, gas flow in the digital rocks becomes more uniform and the effect of heterogeneity of the porous media on gas flow decreases. Finally, two commonly used apparent permeability calculation models are evaluated by the simulation results and the Klinkenberg model shows better accuracy. In addition, a better proportionality factor in Klinkenberg model is proposed according to the simulation results. PMID:27587293

Impact of Three-Phase Relative Permeability and Hysteresis Models on Forecasts of Storage Associated With CO2-EOR

NASA Astrophysics Data System (ADS)

Jia, Wei; McPherson, Brian; Pan, Feng; Dai, Zhenxue; Moodie, Nathan; Xiao, Ting

2018-02-01

Geological CO2 sequestration in conjunction with enhanced oil recovery (CO2-EOR) includes complex multiphase flow processes compared to CO2 storage in deep saline aquifers. Two of the most important factors affecting multiphase flow in CO2-EOR are three-phase relative permeability and associated hysteresis, both of which are difficult to measure and are usually represented by numerical interpolation models. The purpose of this study is to improve understanding of (1) the relative impacts of different three-phase relative permeability models and hysteresis models on CO2 trapping mechanisms, and (2) uncertainty associated with these two factors. Four different three-phase relative permeability models and three hysteresis models were applied to simulations of an active CO2-EOR site, the SACROC unit located in western Texas. To eliminate possible bias of deterministic parameters, we utilized a sequential Gaussian simulation technique to generate 50 realizations to describe heterogeneity of porosity and permeability, based on data obtained from well logs and seismic survey. Simulation results of forecasted CO2 storage suggested that (1) the choice of three-phase relative permeability model and hysteresis model led to noticeable impacts on forecasted CO2 sequestration capacity; (2) impacts of three-phase relative permeability models and hysteresis models on CO2 trapping are small during the CO2-EOR injection period, and increase during the post-EOR CO2 injection period; (3) the specific choice of hysteresis model is more important relative to the choice of three-phase relative permeability model; and (4) using the recommended three-phase WAG (Water-Alternating-Gas) hysteresis model may increase the impact of three-phase relative permeability models and uncertainty due to heterogeneity.

Surface-functionalized polymethacrylic acid based hydrogel microparticles for oral drug delivery.

PubMed

Sajeesh, S; Bouchemal, K; Sharma, C P; Vauthier, C

2010-02-01

Aim of the present work was to develop novel thiol-functionalized hydrogel microparticles based on poly(methacrylic acid)-chitosan-poly(ethylene glycol) (PCP) for oral drug delivery applications. PCP microparticles were prepared by a modified ionic gelation process in aqueous medium. Thiol modification of surface carboxylic acid groups of PCP micro particles was carried out by coupling l-cysteine with a water-soluble carbodiimide. Ellman's method was adopted to quantify the sulfhydryl groups, and dynamic light-scattering technique was used to measure the average particle size. Cytotoxicity of the modified particles was evaluated on Caco 2 cells by MTT assay. Effect of thiol modification on permeability of paracellular marker fluorescence dextran (FD4) was evaluated on Caco 2 cell monolayers and freshly excised rat intestinal tissue with an Ussing chamber set-up. Mucoadhesion experiments were carried out by an ex vivo bioadhesion method with excised rat intestinal tissue. The average size of the PCP microparticles was increased after thiol modification. Thiolated microparticles significantly improved the paracellular permeability of FD4 across Caco 2 cell monolayers, with no sign of toxicity. However, the efficacy of thiolated system remained low when permeation experiments were carried out across excised intestinal membrane. This was attributed to the high adhesion of the thiolated particles on the gut mucosa. Nevertheless, it can be concluded that surface thiolation is an interesting strategy to improve paracellular permeability of hydrophilic macromolecules. Copyright (c) 2009 Elsevier B.V. All rights reserved.

Fully coupled two-phase flow and poromechanics modeling of coalbed methane recovery: Impact of geomechanics on production rate

DOE PAGES

Ma, Tianran; Rutqvist, Jonny; Oldenburg, Curtis M.; ...

2017-06-03

This study presents the development and application of a fully coupled two-phase (methane and water) flow, transport, and poromechanics num erical model for the analysis of geomechanical impacts on coalbed methane (CBM) production. The model considers changes in two-phase fluid flow properties, i.e., coal porosity, permeability, water retention, and relative permeability curves through changes in cleat fractures induced by effective stress variations and desorption-induced shrinkage. The coupled simulator is first verified for poromechanics coupling, and simulation parameters of a CBM reservoir model are calibrated by history matching against one year of CBM production field data from Shanxi Province, China. Then,more » the verified simulator and the calibrated CBM reservoir model are used for predicting the impact of geomechanics on the production rate for twenty years of continuous CBM production. The simulation results show that desorption-induced shrinkage is the dominant process in increasing permeability in the near wellbore region. Away from the wellbore, desorption-induced shrinkage is weaker, and permeability is reduced by pressure depletion and increased effective stress. A sensitivity analysis shows that for coal with a higher sorption strain, a larger initial Young's modulus and a smaller Poisson's ratio promote the enhancement of permeability as well as an increased production rate. Moreover, the conceptual model of the cleat system, whether dominated by vertical cleats with permeability correlated to horizontal stress or with permeability correlated to mean stress, can have a significant impact on the predicted production rate. Overall, the study clearly demonstrates and confirms the critical importance of considering geomechanics for an accurate prediction of CBM production.« less

Influence of Cholesterol on the Oxygen Permeability of Membranes: Insight from Atomistic Simulations.

PubMed

Dotson, Rachel J; Smith, Casey R; Bueche, Kristina; Angles, Gary; Pias, Sally C

2017-06-06

Cholesterol is widely known to alter the physical properties and permeability of membranes. Several prior works have implicated cell membrane cholesterol as a barrier to tissue oxygenation, yet a good deal remains to be explained with regard to the mechanism and magnitude of the effect. We use molecular dynamics simulations to provide atomic-resolution insight into the influence of cholesterol on oxygen diffusion across and within the membrane. Our simulations show strong overall agreement with published experimental data, reproducing the shapes of experimental oximetry curves with high accuracy. We calculate the upper-limit transmembrane oxygen permeability of a 1-palmitoyl,2-oleoylphosphatidylcholine phospholipid bilayer to be 52 ± 2 cm/s, close to the permeability of a water layer of the same thickness. With addition of cholesterol, the permeability decreases somewhat, reaching 40 ± 2 cm/s at the near-saturating level of 62.5 mol % cholesterol and 10 ± 2 cm/s in a 100% cholesterol mimic of the experimentally observed noncrystalline cholesterol bilayer domain. These reductions in permeability can only be biologically consequential in contexts where the diffusional path of oxygen is not water dominated. In our simulations, cholesterol reduces the overall solubility of oxygen within the membrane but enhances the oxygen transport parameter (solubility-diffusion product) near the membrane center. Given relatively low barriers to passing from membrane to membrane, our findings support hydrophobic channeling within membranes as a means of cellular and tissue-level oxygen transport. In such a membrane-dominated diffusional scheme, the influence of cholesterol on oxygen permeability is large enough to warrant further attention. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Fully coupled two-phase flow and poromechanics modeling of coalbed methane recovery: Impact of geomechanics on production rate

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

Ma, Tianran; Rutqvist, Jonny; Oldenburg, Curtis M.

This study presents the development and application of a fully coupled two-phase (methane and water) flow, transport, and poromechanics num erical model for the analysis of geomechanical impacts on coalbed methane (CBM) production. The model considers changes in two-phase fluid flow properties, i.e., coal porosity, permeability, water retention, and relative permeability curves through changes in cleat fractures induced by effective stress variations and desorption-induced shrinkage. The coupled simulator is first verified for poromechanics coupling, and simulation parameters of a CBM reservoir model are calibrated by history matching against one year of CBM production field data from Shanxi Province, China. Then,more » the verified simulator and the calibrated CBM reservoir model are used for predicting the impact of geomechanics on the production rate for twenty years of continuous CBM production. The simulation results show that desorption-induced shrinkage is the dominant process in increasing permeability in the near wellbore region. Away from the wellbore, desorption-induced shrinkage is weaker, and permeability is reduced by pressure depletion and increased effective stress. A sensitivity analysis shows that for coal with a higher sorption strain, a larger initial Young's modulus and a smaller Poisson's ratio promote the enhancement of permeability as well as an increased production rate. Moreover, the conceptual model of the cleat system, whether dominated by vertical cleats with permeability correlated to horizontal stress or with permeability correlated to mean stress, can have a significant impact on the predicted production rate. Overall, the study clearly demonstrates and confirms the critical importance of considering geomechanics for an accurate prediction of CBM production.« less

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

Microwave permeability of stripe patterned FeCoN thin film

NASA Astrophysics Data System (ADS)

Wu, Yuping; Yang, Yong; Ma, Fusheng; Zong, Baoyu; Yang, Zhihong; Ding, Jun

2017-03-01

Magnetic stripe patterns are of great importance for microwave applications owing to their highly tunable microwave permeability by adjusting the geometrical dimensions. In this work, stripe patterned FeCoN films with 160 nm thickness are fabricated by using standard UV photolithography. Their microwave permeability are investigated systematically via both experiment and micromagnetic simulation. The good agreement between experimental and simulation results suggests that stripe width is crucial for the microwave magnetic properties of the stripe pattern. It is demonstrated by simulation that with increasing stripe width from 1 to 80 μm the initial permeability shows a continuous growth from about 8-322, whiles the resonance frequency drops dramatically from 18.7 to 3.1 GHz at 4 μm gap size. Smaller gap size would result in slightly increased initial permeability due to larger magnetic volume ratio, accompanied by decreased resonance frequency because of stronger magnetostatic interaction. Moreover, the experimental investigation on stripe length effect indicates that the stripe length should be kept as long as possible to achieve uniform bulk resonance mode and high permeability value. Insufficient stripe length would result in low frequency edge mode and decayed bulk mode. This study could provide valuable guidelines on the selection of proper geometry dimensions of FeCoN stripe patterns for high frequency applications.

Sub-core permeability and relative permeability characterization with Positron Emission Tomography

NASA Astrophysics Data System (ADS)

Zahasky, C.; Benson, S. M.

2017-12-01

This study utilizes preclinical micro-Positron Emission Tomography (PET) to image and quantify the transport behavior of pulses of a conservative aqueous radiotracer injected during single and multiphase flow experiments in a Berea sandstone core with axial parallel bedding heterogeneity. The core is discretized into streamtubes, and using the micro-PET data, expressions are derived from spatial moment analysis for calculating sub-core scale tracer flux and pore water velocity. Using the flux and velocity data, it is then possible to calculate porosity and saturation from volumetric flux balance, and calculate permeability and water relative permeability from Darcy's law. Full 3D simulations are then constructed based on this core characterization. Simulation results are compared with experimental results in order to test the assumptions of the simple streamtube model. Errors and limitations of this analysis will be discussed. These new methods of imaging and sub-core permeability and relative permeability measurements enable experimental quantification of transport behavior across scales.

Microscale diffusion measurements and simulation of a scaffold with a permeable strut.

PubMed

Lee, Seung Youl; Lee, Byung Ryong; Lee, Jongwan; Kim, Seongjun; Kim, Jung Kyung; Jeong, Young Hun; Jin, Songwan

2013-10-10

Electrospun nanofibrous structures provide good performance to scaffolds in tissue engineering. We measured the local diffusion coefficients of 3-kDa FITC-dextran in line patterns of electrospun nanofibrous structures fabricated by the direct-write electrospinning (DWES) technique using the fluorescence recovery after photobleaching (FRAP) method. No significant differences were detected between DWES line patterns fabricated with polymer supplied at flow rates of 0.1 and 0.5 mL/h. The oxygen diffusion coefficients of samples were estimated to be ~92%-94% of the oxygen diffusion coefficient in water based on the measured diffusion coefficient of 3-kDa FITC-dextran. We also simulated cell growth and distribution within spatially patterned scaffolds with struts consisting of either oxygen-permeable or non-permeable material. The permeable strut scaffolds exhibited enhanced cell growth. Saturated depths at which cells could grow to confluence were 15% deeper for the permeable strut scaffolds than for the non-permeable strut scaffold.

Fluid flow simulation and permeability computation in deformed porous carbonate grainstones

NASA Astrophysics Data System (ADS)

Zambrano, Miller; Tondi, Emanuele; Mancini, Lucia; Lanzafame, Gabriele; Trias, F. Xavier; Arzilli, Fabio; Materazzi, Marco; Torrieri, Stefano

2018-05-01

In deformed porous carbonates, the architecture of the pore network may be modified by deformation or diagenetic processes altering the permeability with respect to the pristine rock. The effects of the pore texture and morphology on permeability in porous rocks have been widely investigated due to the importance during the evaluation of geofluid reservoirs. In this study, these effects are assessed by combining synchrotron X-ray computed microtomography (SR micro-CT) and computational fluid dynamics. The studied samples pertain to deformed porous carbonate grainstones highly affected by deformation bands (DBs) exposed in Northwestern Sicily and Abruzzo regions, Italy. The high-resolution SR micro-CT images of the samples, acquired at the SYRMEP beamline of the Elettra - Sincrotrone Trieste laboratory (Italy), were used for simulating a pressure-driven flow by using the lattice-Boltzmann method (LBM). For the experiments, a multiple relaxation time (MRT) model with the D3Q19 scheme was used to avoid viscosity-dependent results of permeability. The permeability was calculated using Darcy's law once steady conditions were reached. After the simulations, the pore-network properties (effective porosity, specific surface area, and geometrical tortuosity) were calculated using 3D images of the velocity fields. These images were segmented considering a velocity threshold value higher than zero. The study showed that DBs may generate significant heterogeneity and anisotropy of the permeability of the evaluated rock samples. Cataclasis and cementation process taking place within the DBs reduce the effective porosity and therefore the permeability. Contrary to this, pressure dissolution and faulting may generate connected channels which contribute to the permeability only parallel to the DB.

Lattice Boltzmann Simulation of Shale Gas Transport in Organic Nano-Pores

PubMed Central

Zhang, Xiaoling; Xiao, Lizhi; Shan, Xiaowen; Guo, Long

2014-01-01

Permeability is a key parameter for investigating the flow ability of sedimentary rocks. The conventional model for calculating permeability is derived from Darcy's law, which is valid only for continuum flow in porous rocks. We discussed the feasibility of simulating methane transport characteristics in the organic nano-pores of shale through the Lattice Boltzmann method (LBM). As a first attempt, the effects of high Knudsen number and the associated slip flow are considered, whereas the effect of adsorption in the capillary tube is left for future work. Simulation results show that at small Knudsen number, LBM results agree well with Poiseuille's law, and flow rate (flow capacity) is proportional to the square of the pore scale. At higher Knudsen numbers, the relaxation time needs to be corrected. In addition, velocity increases as the slip effect causes non negligible velocities on the pore wall, thereby enhancing the flow rate inside the pore, i.e., the permeability. Therefore, the LBM simulation of gas flow characteristics in organic nano-pores provides an effective way of evaluating the permeability of gas-bearing shale. PMID:24784022

Transport of Gas Phase Radionuclides in a Fractured, Low-Permeability Reservoir

NASA Astrophysics Data System (ADS)

Cooper, C. A.; Chapman, J.

2001-12-01

The U.S. Atomic Energy Commission (predecessor to the Department of Energy, DOE) oversaw a joint program between industry and government in the 1960s and 1970s to develop technology to enhance production from low-permeability gas reservoirs using nuclear stimulation rather than conventional means (e.g., hydraulic and/or acid fracturing). Project Rio Blanco, located in the Piceance Basin, Colorado, was the third experiment under the program. Three 30-kiloton nuclear explosives were placed in a 2134 m deep well at 1780, 1899, and 2039 m below the land surface and detonated in May 1973. Although the reservoir was extensively fractured, complications such as radionuclide contamination of the gas prevented production and subsequent development of the technology. Two-dimensional numerical simulations were conducted to identify the main transport processes that have occurred and are currently occurring in relation to the detonations, and to estimate the extent of contamination in the reservoir. Minor modifications were made to TOUGH2, the multiphase, multicomponent reservoir simulator developed at Lawrence Berkeley National Laboratories. The simulator allows the explicit incorporation of fractures, as well as heat transport, phase change, and first order radionuclide decay. For a fractured two-phase (liquid and gas) reservoir, the largest velocities are of gases through the fractures. In the gas phase, tritium and one isotope of krypton are the principle radionuclides of concern. However, in addition to existing as a fast pathway, fractures also permit matrix diffusion as a retardation mechanism. Another retardation mechanism is radionuclide decay. Simulations show that incorporation of fractures can significantly alter transport rates, and that radionuclides in the gas phase can preferentially migrate upward due to the downward gravity drainage of liquid water in the pores. This project was funded by the National Nuclear Security Administration, Nevada Operations Office, under DOE Contract no. DE-AC08-00NV13609.

Simulation of DNAPL migration in heterogeneous translucent porous media based on estimation of representative elementary volume

NASA Astrophysics Data System (ADS)

Wu, Ming; Wu, Jianfeng; Wu, Jichun

2017-10-01

When the dense nonaqueous phase liquid (DNAPL) comes into the subsurface environment, its migration behavior is crucially affected by the permeability and entry pressure of subsurface porous media. A prerequisite for accurately simulating DNAPL migration in aquifers is then the determination of the permeability, entry pressure and corresponding representative elementary volumes (REV) of porous media. However, the permeability, entry pressure and corresponding representative elementary volumes (REV) are hard to determine clearly. This study utilizes the light transmission micro-tomography (LTM) method to determine the permeability and entry pressure of two dimensional (2D) translucent porous media and integrates the LTM with a criterion of relative gradient error to quantify the corresponding REV of porous media. As a result, the DNAPL migration in porous media might be accurately simulated by discretizing the model at the REV dimension. To validate the quantification methods, an experiment of perchloroethylene (PCE) migration is conducted in a two-dimensional heterogeneous bench-scale aquifer cell. Based on the quantifications of permeability, entry pressure and REV scales of 2D porous media determined by the LTM and relative gradient error, different models with different sizes of discretization grid are used to simulate the PCE migration. It is shown that the model based on REV size agrees well with the experimental results over the entire migration period including calibration, verification and validation processes. This helps to better understand the microstructures of porous media and achieve accurately simulating DNAPL migration in aquifers based on the REV estimation.

Constraining the effects of permeability uncertainty for geologic CO2 sequestration in a basalt reservoir

NASA Astrophysics Data System (ADS)

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

2016-12-01

Carbon capture and sequestration (CCS) in geologic reservoirs is one strategy for reducing anthropogenic CO2 emissions from large-scale point-source emitters. Recent developments at the CarbFix CCS pilot in Iceland have shown that basalt reservoirs are highly effective for permanent mineral trapping on the basis of CO2-water-rock interactions, which result in the formation of carbonates minerals. In order to advance our understanding of basalt sequestration in large igneous provinces, this research uses numerical simulation to evaluate the feasibility of industrial-scale CO2 injections in the Columbia River Basalt Group (CRBG). Although bulk reservoir properties are well constrained on the basis of field and laboratory testing from the Wallula Basalt Sequestration Pilot Project, there remains significant uncertainty in the spatial distribution of permeability at the scale of individual basalt flows. Geostatistical analysis of hydrologic data from 540 wells illustrates that CRBG reservoirs are reasonably modeled as layered heterogeneous systems on the basis of basalt flow morphology; however, the regional dataset is insufficient to constrain permeability variability at the scale of an individual basalt flow. As a result, permeability distribution for this modeling study is established by centering the lognormal permeability distribution in the regional dataset over the bulk permeability measured at Wallula site, which results in a spatially random permeability distribution within the target reservoir. In order to quantify the effects of this permeability uncertainty, CO2 injections are simulated within 50 equally probable synthetic reservoir domains. Each model domain comprises three-dimensional geometry with 530,000 grid blocks, and fracture-matrix interaction is simulated as interacting continua for the two low permeability layers (flow interiors) bounding the injection zone. Results from this research illustrate that permeability uncertainty at the scale of individual basalt flows may significantly impact both injection pressure accumulation and CO2 distribution.

Upscaling pore pressure-dependent gas permeability in shales

NASA Astrophysics Data System (ADS)

Ghanbarian, Behzad; Javadpour, Farzam

2017-04-01

Upscaling pore pressure dependence of shale gas permeability is of great importance and interest in the investigation of gas production in unconventional reservoirs. In this study, we apply the Effective Medium Approximation, an upscaling technique from statistical physics, and modify the Doyen model for unconventional rocks. We develop an upscaling model to estimate the pore pressure-dependent gas permeability from pore throat size distribution, pore connectivity, tortuosity, porosity, and gas characteristics. We compare our adapted model with six data sets: three experiments, one pore-network model, and two lattice-Boltzmann simulations. Results showed that the proposed model estimated the gas permeability within a factor of 3 of the measurements/simulations in all data sets except the Eagle Ford experiment for which we discuss plausible sources of discrepancies.

Dynamo Enhancement and Mode Selection Triggered by High Magnetic Permeability.

PubMed

Kreuzahler, S; Ponty, Y; Plihon, N; Homann, H; Grauer, R

2017-12-08

We present results from consistent dynamo simulations, where the electrically conducting and incompressible flow inside a cylinder vessel is forced by moving impellers numerically implemented by a penalization method. The numerical scheme models jumps of magnetic permeability for the solid impellers, resembling various configurations tested experimentally in the von Kármán sodium experiment. The most striking experimental observations are reproduced in our set of simulations. In particular, we report on the existence of a time-averaged axisymmetric dynamo mode, self-consistently generated when the magnetic permeability of the impellers exceeds a threshold. We describe a possible scenario involving both the turbulent flow in the vicinity of the impellers and the high magnetic permeability of the impellers.

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.

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

Active and Repressive Chromatin-Associated Proteome after MPA Treatment and the Role of Midkine in Epithelial Monolayer Permeability

PubMed Central

Khan, Niamat; Lenz, Christof; Binder, Lutz; Pantakani, Dasaradha Venkata Krishna; Asif, Abdul R.

2016-01-01

Mycophenolic acid (MPA) is prescribed to maintain allografts in organ-transplanted patients. However, gastrointestinal (GI) complications, particularly diarrhea, are frequently observed as a side effect following MPA therapy. We recently reported that MPA altered the tight junction (TJ)-mediated barrier function in a Caco-2 cell monolayer model system. This study investigates whether MPA induces epigenetic changes which lead to GI complications, especially diarrhea. Methods: We employed a Chromatin Immunoprecipitation-O-Proteomics (ChIP-O-Proteomics) approach to identify proteins associated with active (H3K4me3) as well as repressive (H3K27me3) chromatin histone modifications in MPA-treated cells, and further characterized the role of midkine, a H3K4me3-associated protein, in the context of epithelial monolayer permeability. Results: We identified a total of 333 and 306 proteins associated with active and repressive histone modification marks, respectively. Among them, 241 proteins were common both in active and repressive chromatin, 92 proteins were associated exclusively with the active histone modification mark, while 65 proteins remained specific to repressive chromatin. Our results show that 45 proteins which bind to the active and seven proteins which bind to the repressive chromatin region exhibited significantly altered abundance in MPA-treated cells as compared to DMSO control cells. A number of novel proteins whose function is not known in bowel barrier regulation were among the identified proteins, including midkine. Our functional integrity assays on the Caco-2 cell monolayer showed that the inhibition of midkine expression prior to MPA treatment could completely block the MPA-mediated increase in barrier permeability. Conclusions: The ChIP-O-Proteomics approach delivered a number of novel proteins with potential implications in MPA toxicity. Consequently, it can be proposed that midkine inhibition could be a potent therapeutic approach to prevent the MPA-mediated increase in TJ permeability and leak flux diarrhea in organ transplant patients. PMID:27104530

Percolation connectivity, pore size, and gas apparent permeability: Network simulations and comparison to experimental data

NASA Astrophysics Data System (ADS)

Li, M.; Tang, Y. B.; Bernabé, Y.; Zhao, J. Z.; Li, X. F.; Li, T.

2017-07-01

We modeled single-phase gas flow through porous media using percolation networks. Gas permeability is different from liquid permeability. The latter is only related to the geometry and topology of the pore space, while the former depends on the specific gas considered and varies with gas pressure. As gas pressure decreases, four flow regimes can be distinguished as viscous flow, slip flow, transition flow, and free molecular diffusion. Here we use a published conductance model presumably capable of predicting the flow rate of an arbitrary gas through a cylindrical pipe in the four regimes. We incorporated this model into pipe network simulations. We considered 3-D simple cubic, body-centered cubic, and face-centered cubic lattices, in which we varied the pipe radius distribution and the bond coordination number. Gas flow was simulated at different gas pressures. The simulation results showed that the gas apparent permeability kapp obeys an identical scaling law in all three lattices, kapp (z-zc)β, where the exponent β depends on the width of the pipe radius distribution, z is the mean coordination number, and zc its critical value at the percolation threshold. Surprisingly, (z-zc) had a very weak effect on the ratio of the apparent gas permeability to the absolute liquid permeability, kapp/kabs, suggesting that the Klinkenberg gas slippage correction factor is nearly independent of connectivity. We constructed models of kapp and kapp/kabs based on the observed power law and tested them by comparison with published experimental data on glass beads and other materials.

Comparison of two-dimensional and three-dimensional simulations of dense nonaqueous phase liquids (DNAPLs): Migration and entrapment in a nonuniform permeability field

NASA Astrophysics Data System (ADS)

Christ, John A.; Lemke, Lawrence D.; Abriola, Linda M.

2005-01-01

The influence of reduced dimensionality (two-dimensional (2-D) versus 3-D) on predictions of dense nonaqueous phase liquid (DNAPL) infiltration and entrapment in statistically homogeneous, nonuniform permeability fields was investigated using the University of Texas Chemical Compositional Simulator (UTCHEM), a 3-D numerical multiphase simulator. Hysteretic capillary pressure-saturation and relative permeability relationships implemented in UTCHEM were benchmarked against those of another lab-tested simulator, the Michigan-Vertical and Lateral Organic Redistribution (M-VALOR). Simulation of a tetrachloroethene spill in 16 field-scale aquifer realizations generated DNAPL saturation distributions with approximately equivalent distribution metrics in two and three dimensions, with 2-D simulations generally resulting in slightly higher maximum saturations and increased vertical spreading. Variability in 2-D and 3-D distribution metrics across the set of realizations was shown to be correlated at a significance level of 95-99%. Neither spill volume nor release rate appeared to affect these conclusions. Variability in the permeability field did affect spreading metrics by increasing the horizontal spreading in 3-D more than in 2-D in more heterogeneous media simulations. The assumption of isotropic horizontal spatial statistics resulted, on average, in symmetric 3-D saturation distribution metrics in the horizontal directions. The practical implication of this study is that for statistically homogeneous, nonuniform aquifers, 2-D simulations of saturation distributions are good approximations to those obtained in 3-D. However, additional work will be needed to explore the influence of dimensionality on simulated DNAPL dissolution.

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

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.

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.

Modeling of damage, permeability changes and pressure responses during excavation of the TSX tunnel in granitic rock at URL, Canada

NASA Astrophysics Data System (ADS)

Rutqvist, Jonny; Börgesson, Lennart; Chijimatsu, Masakazu; Hernelind, Jan; Jing, Lanru; Kobayashi, Akira; Nguyen, Son

2009-05-01

This paper presents numerical modeling of excavation-induced damage, permeability changes, and fluid-pressure responses during excavation of a test tunnel associated with the tunnel sealing experiment (TSX) at the Underground Research Laboratory (URL) in Canada. Four different numerical models were applied using a wide range of approaches to model damage and permeability changes in the excavation disturbed zone (EDZ) around the tunnel. Using in situ calibration of model parameters, the modeling could reproduce observed spatial distribution of damage and permeability changes around the tunnel as a combination of disturbance induced by stress redistribution around the tunnel and by the drill-and-blast operation. The modeling showed that stress-induced permeability increase above the tunnel is a result of micro and macrofracturing under high deviatoric (shear) stress, whereas permeability increase alongside the tunnel is a result of opening of existing microfractures under decreased mean stress. The remaining observed fracturing and permeability changes around the periphery of the tunnel were attributed to damage from the drill-and-blast operation. Moreover, a reasonably good agreement was achieved between simulated and observed excavation-induced pressure responses around the TSX tunnel for 1 year following its excavation. The simulations showed that these pressure responses are caused by poroelastic effects as a result of increasing or decreasing mean stress, with corresponding contraction or expansion of the pore volume. The simulation results for pressure evolution were consistent with previous studies, indicating that the observed pressure responses could be captured in a Biot model using a relatively low Biot-Willis’ coefficient, α ≈ 0.2, a porosity of n ≈ 0.007, and a relatively low permeability of k ≈ 2 × 10-22 m2, which is consistent with the very tight, unfractured granite at the site.

Numerical Simulation of Hydraulic Fracturing in Low-/High-Permeability, Quasi-Brittle and Heterogeneous Rocks

NASA Astrophysics Data System (ADS)

Pakzad, R.; Wang, S. Y.; Sloan, S. W.

2018-04-01

In this study, an elastic-brittle-damage constitutive model was incorporated into the coupled fluid/solid analysis of ABAQUS to iteratively calculate the equilibrium effective stress of Biot's theory of consolidation. The Young's modulus, strength and permeability parameter of the material were randomly assigned to the representative volume elements of finite element models following the Weibull distribution function. The hydraulic conductivity of elements was associated with their hydrostatic effective stress and damage level. The steady-state permeability test results for sandstone specimens under different triaxial loading conditions were reproduced by employing the same set of material parameters in coupled transient flow/stress analyses of plane-strain models, thereby indicating the reliability of the numerical model. The influence of heterogeneity on the failure response and the absolute permeability was investigated, and the post-peak permeability was found to decrease with the heterogeneity level in the coupled analysis with transient flow. The proposed model was applied to the plane-strain simulation of the fluid pressurization of a cavity within a large-scale block under different conditions. Regardless of the heterogeneity level, the hydraulically driven fractures propagated perpendicular to the minimum principal far-field stress direction for high-permeability models under anisotropic far-field stress conditions. Scattered damage elements appeared in the models with higher degrees of heterogeneity. The partially saturated areas around propagating fractures were simulated by relating the saturation degree to the negative pore pressure in low-permeability blocks under high pressure. By replicating previously reported trends in the fracture initiation and breakdown pressure for different pressurization rates and hydraulic conductivities, the results showed that the proposed model for hydraulic fracture problems is reliable for a wide range of pressurization rates and permeability conditions.

The Dependence of Water Permeability in Quartz Sand on Gas Hydrate Saturation in the Pore Space

NASA Astrophysics Data System (ADS)

Kossel, E.; Deusner, C.; Bigalke, N.; Haeckel, M.

2018-02-01

Transport of fluids in gas hydrate bearing sediments is largely defined by the reduction of the permeability due to gas hydrate crystals in the pore space. Although the exact knowledge of the permeability behavior as a function of gas hydrate saturation is of crucial importance, state-of-the-art simulation codes for gas production scenarios use theoretically derived permeability equations that are hardly backed by experimental data. The reason for the insufficient validation of the model equations is the difficulty to create gas hydrate bearing sediments that have undergone formation mechanisms equivalent to the natural process and that have well-defined gas hydrate saturations. We formed methane hydrates in quartz sand from a methane-saturated aqueous solution and used magnetic resonance imaging to obtain time-resolved, three-dimensional maps of the gas hydrate saturation distribution. These maps were fed into 3-D finite element method simulations of the water flow. In our simulations, we tested the five most well-known permeability equations. All of the suitable permeability equations include the term (1-SH)n, where SH is the gas hydrate saturation and n is a parameter that needs to be constrained. The most basic equation describing the permeability behavior of water flow through gas hydrate bearing sand is k = k0 (1-SH)n. In our experiments, n was determined to be 11.4 (±0.3). Results from this study can be directly applied to bulk flow analysis under the assumption of homogeneous gas hydrate saturation and can be further used to derive effective permeability models for heterogeneous gas hydrate distributions at different scales.

Permeability and permeability anisotropy in Crab Orchard sandstone: Experimental insights into spatio-temporal effects

NASA Astrophysics Data System (ADS)

Gehne, Stephan; Benson, Philip M.

2017-08-01

Permeability in tight crustal rocks is primarily controlled by the connected porosity, shape and orientation of microcracks, the preferred orientation of cross-bedding, and sedimentary features such as layering. This leads to a significant permeability anisotropy. Less well studied, however, are the effects of time and stress recovery on the evolution of the permeability hysteresis which is becoming increasingly important in areas ranging from fluid migration in ore-forming processes to enhanced resource extraction. Here, we report new data simulating spatio-temporal permeability changes induced using effective pressure, simulating burial depth, on a tight sandstone (Crab Orchard). We find an initially (measured at 5 MPa) anisotropy of 2.5% in P-wave velocity and 180% in permeability anisotropy is significantly affected by the direction of the effective pressure change and cyclicity; anisotropy values decrease to 1% and 10% respectively after 3 cycles to 90 MPa and back. Furthermore, we measure a steadily increasing recovery time (10-20 min) for flow parallel to cross-bedding, and a far slower recovery time (20-50 min) for flow normal to cross-bedding. These data are interpreted via strain anisotropy and accommodation models, similar to the "seasoning" process often used in dynamic reservoir extraction.

Percolation Network Study on the Gas Apparent Permeability of Rock

NASA Astrophysics Data System (ADS)

Wang, Y.; Tang, Y. B.; Li, M.

2017-12-01

We modeled the gas single phase transport behaviors of monomodal porous media using percolation networks. Different from the liquid absolute permeability, which is only related to topology and morphology of pore space, the gas permeability depends on pore pressure as well. A published gas flow conductance model, included usual viscous flow, slip flow and Knudsen diffusion in cylinder pipe, was used to simulated gas flow in 3D, simple cubic, body-center cubic and face-center cubic networks with different hydraulic radius, different coordination number, and different pipe radius distributions under different average pore pressure. The simulation results showed that the gas apparent permeability kapp obey the `universal' scaling law (independence of network lattices), kapp (z-zc)β, where exponent β is related to pore radius distribution, z is coordination number and zc=1.5. Following up on Bernabé et al.'s (2010) study of the effects of pore connectivity and pore size heterogeneity on liquid absolute permeability, gas apparent permeability kapp model and a new joint gas-liquid permeability (i.e., kapp/k∞) model, which could explain the Klinkenberg phenomenon, were proposed. We satisfactorily tested the models by comparison with published experimental data on glass beads and other datasets.

Water budgets and groundwater volumes for abandoned underground mines in the Western Middle Anthracite Coalfield, Schuylkill, Columbia, and Northumberland Counties, Pennsylvania-Preliminary estimates with identification of data needs

USGS Publications Warehouse

Goode, Daniel J.; Cravotta, Charles A.; Hornberger, Roger J.; Hewitt, Michael A.; Hughes, Robert E.; Koury, Daniel J.; Eicholtz, Lee W.

2011-01-01

This report, prepared in cooperation with the Pennsylvania Department of Environmental Protection (PaDEP), the Eastern Pennsylvania Coalition for Abandoned Mine Reclamation, and the Dauphin County Conservation District, provides estimates of water budgets and groundwater volumes stored in abandoned underground mines in the Western Middle Anthracite Coalfield, which encompasses an area of 120 square miles in eastern Pennsylvania. The estimates are based on preliminary simulations using a groundwater-flow model and an associated geographic information system that integrates data on the mining features, hydrogeology, and streamflow in the study area. The Mahanoy and Shamokin Creek Basins were the focus of the study because these basins exhibit extensive hydrologic effects and water-quality degradation from the abandoned mines in their headwaters in the Western Middle Anthracite Coalfield. Proposed groundwater withdrawals from the flooded parts of the mines and stream-channel modifications in selected areas have the potential for altering the distribution of groundwater and the interaction between the groundwater and streams in the area. Preliminary three-dimensional, steady-state simulations of groundwater flow by the use of MODFLOW are presented to summarize information on the exchange of groundwater among adjacent mines and to help guide the management of ongoing data collection, reclamation activities, and water-use planning. The conceptual model includes high-permeability mine voids that are connected vertically and horizontally within multicolliery units (MCUs). MCUs were identified on the basis of mine maps, locations of mine discharges, and groundwater levels in the mines measured by PaDEP. The locations and integrity of mine barriers were determined from mine maps and groundwater levels. The permeability of intact barriers is low, reflecting the hydraulic characteristics of unmined host rock and coal. A steady-state model was calibrated to measured groundwater levels and stream base flow, the latter at many locations composed primarily of discharge from mines. Automatic parameter estimation used MODFLOW-2000 with manual adjustments to constrain parameter values to realistic ranges. The calibrated model supports the conceptual model of high-permeability MCUs separated by low-permeability barriers and streamflow losses and gains associated with mine infiltration and discharge. The simulated groundwater levels illustrate low groundwater gradients within an MCU and abrupt changes in water levels between MCUs. The preliminary model results indicate that the primary result of increased pumping from the mine would be reduced discharge from the mine to streams near the pumping wells. The intact barriers limit the spatial extent of mine dewatering. Considering the simulated groundwater levels, depth of mining, and assumed bulk porosity of 11 or 40 percent for the mined seams, the water volume in storage in the mines of the Western Middle Anthracite Coalfield was estimated to range from 60 to 220 billion gallons, respectively. Details of the groundwater-level distribution and the rates of some mine discharges are not simulated well using the preliminary model. Use of the model results should be limited to evaluation of the conceptual model and its simulation using porous-media flow methods, overall water budgets for the Western Middle Anthracite Coalfield, and approximate storage volumes. Model results should not be considered accurate for detailed simulation of flow within a single MCU or individual flooded mine. Although improvements in the model calibration were possible by introducing spatial variability in permeability parameters and adjusting barrier properties, more detailed parameterizations have increased uncertainty because of the limited data set. The preliminary identification of data needs includes continuous streamflow, mine discharge rate, and groundwater levels in the mines and adjacent areas. Data collected whe

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

Simulation-based validation and arrival-time correction for Patlak analyses of Perfusion-CT scans

NASA Astrophysics Data System (ADS)

Bredno, Jörg; Hom, Jason; Schneider, Thomas; Wintermark, Max

2009-02-01

Blood-brain-barrier (BBB) breakdown is a hypothesized mechanism for hemorrhagic transformation in acute stroke. The Patlak analysis of a Perfusion Computed Tomography (PCT) scan measures the BBB permeability, but the method yields higher estimates when applied to the first pass of the contrast bolus compared to a delayed phase. We present a numerical phantom that simulates vascular and parenchymal time-attenuation curves to determine the validity of permeability measurements obtained with different acquisition protocols. A network of tubes represents the major cerebral arteries ipsi- and contralateral to an ischemic event. These tubes branch off into smaller segments that represent capillary beds. Blood flow in the phantom is freely defined and simulated as non-Newtonian tubular flow. Diffusion of contrast in the vessels and permeation through vessel walls is part of the simulation. The phantom allows us to compare the results of a permeability measurement to the simulated vessel wall status. A Patlak analysis reliably detects areas with BBB breakdown for acquisitions of 240s duration, whereas results obtained from the first pass are biased in areas of reduced blood flow. Compensating for differences in contrast arrival times reduces this bias and gives good estimates of BBB permeability for PCT acquisitions of 90-150s duration.

Materials Characterisation and Analysis for Flow Simulation of Liquid Resin Infusion

NASA Astrophysics Data System (ADS)

Sirtautas, J.; Pickett, A. K.; George, A.

2015-06-01

Liquid Resin Infusion (LRI) processes including VARI and VARTM have received increasing attention in recent years, particularly for infusion of large parts, or for low volume production. This method avoids the need for costly matched metal tooling as used in Resin Transfer Moulding (RTM) and can provide fast infusion if used in combination with flow media. Full material characterisation for LRI analysis requires models for three dimensional fabric permeability as a function of fibre volume content, fabric through-thickness compliance as a function of resin pressure, flow media permeability and resin viscosity. The characterisation of fabric relaxation during infusion is usually determined from cyclic compaction tests on saturated fabrics. This work presents an alternative method to determine the compressibility by using LRI flow simulation and fitting a model to experimental thickness measurements during LRI. The flow media is usually assumed to have isotropic permeability, but this work shows greater simulation accuracy from combining the flow media with separation plies as a combined orthotropic material. The permeability of this combined media can also be determined by fitting the model with simulation to LRI flow measurements. The constitutive models and the finite element solution were validated by simulation of the infusion of a complex aerospace demonstrator part.

Investigation of uncertainty in CO 2 reservoir models: A sensitivity analysis of relative permeability parameter values

DOE PAGES

Yoshida, Nozomu; Levine, Jonathan S.; Stauffer, Philip H.

2016-03-22

Numerical reservoir models of CO 2 injection in saline formations rely on parameterization of laboratory-measured pore-scale processes. Here, we have performed a parameter sensitivity study and Monte Carlo simulations to determine the normalized change in total CO 2 injected using the finite element heat and mass-transfer code (FEHM) numerical reservoir simulator. Experimentally measured relative permeability parameter values were used to generate distribution functions for parameter sampling. The parameter sensitivity study analyzed five different levels for each of the relative permeability model parameters. All but one of the parameters changed the CO 2 injectivity by <10%, less than the geostatistical uncertainty that applies to all large subsurface systems due to natural geophysical variability and inherently small sample sizes. The exception was the end-point CO 2 relative permeability, kmore » $$0\\atop{r}$$ CO2, the maximum attainable effective CO 2 permeability during CO 2 invasion, which changed CO2 injectivity by as much as 80%. Similarly, Monte Carlo simulation using 1000 realizations of relative permeability parameters showed no relationship between CO 2 injectivity and any of the parameters but k$$0\\atop{r}$$ CO2, which had a very strong (R 2 = 0.9685) power law relationship with total CO 2 injected. Model sensitivity to k$$0\\atop{r}$$ CO2 points to the importance of accurate core flood and wettability measurements.« less

Investigation of uncertainty in CO 2 reservoir models: A sensitivity analysis of relative permeability parameter values

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

Yoshida, Nozomu; Levine, Jonathan S.; Stauffer, Philip H.

Numerical reservoir models of CO 2 injection in saline formations rely on parameterization of laboratory-measured pore-scale processes. Here, we have performed a parameter sensitivity study and Monte Carlo simulations to determine the normalized change in total CO 2 injected using the finite element heat and mass-transfer code (FEHM) numerical reservoir simulator. Experimentally measured relative permeability parameter values were used to generate distribution functions for parameter sampling. The parameter sensitivity study analyzed five different levels for each of the relative permeability model parameters. All but one of the parameters changed the CO 2 injectivity by <10%, less than the geostatistical uncertainty that applies to all large subsurface systems due to natural geophysical variability and inherently small sample sizes. The exception was the end-point CO 2 relative permeability, kmore » $$0\\atop{r}$$ CO2, the maximum attainable effective CO 2 permeability during CO 2 invasion, which changed CO2 injectivity by as much as 80%. Similarly, Monte Carlo simulation using 1000 realizations of relative permeability parameters showed no relationship between CO 2 injectivity and any of the parameters but k$$0\\atop{r}$$ CO2, which had a very strong (R 2 = 0.9685) power law relationship with total CO 2 injected. Model sensitivity to k$$0\\atop{r}$$ CO2 points to the importance of accurate core flood and wettability measurements.« less

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.

[Correlation of substrate structure and hydraulic characteristics in subsurface flow constructed wetlands].

PubMed

Bai, Shao-Yuan; Song, Zhi-Xin; Ding, Yan-Li; You, Shao-Hong; He, Shan

2014-02-01

The correlation of substrate structure and hydraulic characteristics was studied by numerical simulation combined with experimental method. The numerical simulation results showed that the permeability coefficient of matrix had a great influence on hydraulic efficiency in subsurface flow constructed wetlands. The filler with a high permeability coefficient had a worse flow field distribution in the constructed wetland with single layer structure. The layered substrate structure with the filler permeability coefficient increased from surface to bottom could avoid the short-circuited flow and dead-zones, and thus, increased the hydraulic efficiency. Two parallel pilot-scale constructed wetlands were built according to the numerical simulation results, and tracer experiments were conducted to validate the simulation results. The tracer experiment result showed that hydraulic characteristics in the layered constructed wetland were obviously better than that in the single layer system, and the substrate effective utilization rates were 0.87 and 0.49, respectively. It was appeared that numerical simulation would be favorable for substrate structure optimization in subsurface flow constructed wetlands.

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.

Digital-computer model of the principal ground-water reservoir in Beryl-Enterprise area, Escalante Desert, Utah

USGS Publications Warehouse

Mower, R.W.; Bartholoma, Scott D.

1981-01-01

The computer model presented in this report was used to simulate the principal ground-water reservoir in the Beryl-Enterprise area, Escalante Desert, Beaver, Iron, and Washington Counties, Utah (Mower, 1981). The details of the formulation of the model, testing of its validity, and the results of predictions are discussed in the cited report. This report was prepared as part of a cooperative program with the Utah Department of Natural Resources, Division of Water Rights, to investigate the water resources of the State. It is an addendum to the principal interpretive report, and it is presented in order to make the model available to anyone desiring to use it for additional predictions. The main program used was the finite-difference model for aquifer simulation in two dimensions documented by Trescott, Pinder, and Larson, (1976). Minor modifications were made to adapt the program to the principal ground-water reservoir in the Beryl-Enterprise area. All the modifications are listed at the top of table 1, and were related to parameter input and output, thus none of the computational subroutines were affected. The parameter arrays (table 1) and map of the area with a grid overlay (pi. 1) are given on following pages. The model simulates an aquifer- under water-table conditions, mostly composed of unconsoliuated basin-fill deposits. The boundaries of the modeled area (pi. 1) generally coincide with the boundaries of the saturated basin fill. However, in the southwest-central part of the model, permeable consolidated rock is included; and that part of the northern boundary between the Black and Wah Wah Mountains is an arbitrary boundary in basin fill between the Beryl-Enterprise area and the Milford area that lies to the northeast. The ignimbrite at Table Butte also was included in the active part of the model. The model includes simulation of discharge by evapotranspiration from phreatophytes. The areal recharge array was used to simulate recharge entering the modeled area at its boundaries and from stream infiltration in the southern corner near Enterprise. In addition, this array included discharge by wells operated during the period simulated as being under steady-state conditions (virtually 1937), and discharging wells simulating flow of water northeast to the Milford area. These wells also were included in the transient-state simulation (1937-77), although any changes in this discharge were modeled using the pumpage array (Group IV, table 1). The wells simulating outflow to the Milford area are shown on plate 1, but the wells pumping in 1937 are not shown unless they also were pumped during 1937-77. The pumpage array was used to simulate: (1) Discharge from wells, (2) discharge after 1977 from a mine in the southwest-central part of the model and recharge resulting form the mine discharge (pi. 1), and (3) changes in discharge in wells operated during the steady-state period. Recharge from irrigation was simulated by reducing pumpage from nodes where irrigation occurs. Discharge from all wells was reduced by 5 percent by multiplying all pumpage by 0.95 in the computer program. North of Newcastle, in T. 35 S., R. 15 W., pumpage was reduced by 35 percent because surface materials are very permeable.

A simulation of the hydrothermal response to the Chesapeake Bay bolide impact

USGS Publications Warehouse

Sanford, W.E.

2005-01-01

Groundwater more saline than seawater has been discovered in the tsunami breccia of the Chesapeake Bay impact Crater. One hypothesis for the origin of this brine is that it may be a liquid residual following steam separation in a hydrothermal system that evolved following the impact. Initial scoping calculations have demonstrated that it is feasible such a residual brine could have remained in the crater for the 35 million years since impact. Numerical simulations have been conducted using the code HYDROTHERM to test whether or not conditions were suitable in the millennia following the impact for the development of a steam phase in the hydrothermal system. Hydraulic and thermal parameters were estimated for the bedrock underlying the crater and the tsunami breccia that fills the crater. Simulations at three different breccia permeabilities suggest that the type of hydrothermal system that might have developed would have been very sensitive to the permeability. A relatively low breccia permeability (1 ?? 10-16 m2) results in a system partitioned into a shallow water phase and a deeper superheated steam phase. A moderate breccia permeability (1 ?? 10-15 m2 ) results in a system with regionally extensive multiphase conditions. A relatively high breccia permeability (1 ?? 10-14 m2 ) results in a system dominated by warm-water convection cells. The permeability of the crater breccia could have had any of these values at given depths and times during the hydrothermal system evolution as the sediments compacted. The simulations were not able to take into account transient permeability conditions, or equations of state that account for the salt content of seawater. Results suggest, however, that it is likely that steam conditions existed at some time in the system following impact, providing additional evidence that is consistent with a hydrothermal origin for the crater brine. ?? Blackwell Publishing Ltd.

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.

A Permeability Study of O2 and the Trace Amine p-Tyramine through Model Phosphatidylcholine Bilayers

PubMed Central

Holland, Bryan W.; Berry, Mark D.; Gray, C. G.; Tomberli, Bruno

2015-01-01

We study here the permeability of the hydrophobic O2 molecule through a model DPPC bilayer at 323K and 350K, and of the trace amine p-tyramine through PC bilayers at 310K. The tyramine results are compared to previous experimental work at 298K. Nonequilibrium work methods were used in conjunction to simultaneously obtain both the potential of mean force (PMF) and the position dependent transmembrane diffusion coefficient, D(z), from the simulations. These in turn were used to calculate the permeability coefficient, P, through the inhomogeneous solubility-diffusion model. The results for O2 are consistent with previous simulations, and agree with experimentally measured P values for PC bilayers. A temperature dependence in the permeability of O2 through DPPC was obtained, with P decreasing at higher temperatures. Two relevant species of p-tyramine were simulated, from which the PMF and D(z) were calculated. The charged species had a large energetic barrier to crossing the bilayer of ~ 21 kcal/mol, while the uncharged, deprotonated species had a much lower barrier of ~ 7 kcal/mol. The effective in silico permeability for p-tyramine was calculated by applying three approximations, all of which gave nearly identical results (presented here as a function of the pKa). As the permeability value calculated from simulation was highly dependent on the pKa of the amine group, a further pKa study was performed that also varied the fraction of the uncharged and zwitterionic p-tyramine species. Using the experimental P value together with the simulated results, we were able to label the phenolic group as responsible for the pKa1 and the amine for the pKa2, that together represent all of the experimentally measured pKa values for p-tyramine. This agrees with older experimental results, in contrast to more recent work that has suggested there is a strong ambiguity in the pKa values. PMID:26086933

A novel multifunctional pharmaceutical excipient: modification of the permeability of starch by processing with magnesium silicate.

PubMed

Rashid, Iyad; Al-Remawi, Mayyas; Leharne, Stephen A; Chowdhry, Babur Z; Badwan, Adnan

2011-06-15

A directly compressible excipient has been developed by co-processing starch with magnesium silicate. The foregoing was achieved either by co-precipitation of magnesium silicate onto different types of starch or by dry granulation of maize starch with magnesium silicate. A variety of techniques (permeability, water retention/swelling, compression analysis, scanning electron microscopy, tensile strength and disintegration/dissolution studies) were used to characterize these systems. The permeability of the formulations produced using the two methods was evaluated experimentally using Darcy's permeability law. Magnesium silicate, as an anti-adhering agent, increases the permeability of both maize and partially pregelatinized starch, resulting in compacts of high mechanical strength, short disintegration time and low lubricant sensitivity. Such advantages are evident when the properties of the physical mixture of maize starch with magnesium silicate are compared with the co-precipitation and dry granulation techniques. Formulation with this novel excipient system, using paracetamol as a model drug, indicated its suitability as a single multifunctional excipient. Copyright © 2011 Elsevier B.V. All rights reserved.

Assessing Hydrologic Impacts of Land Configuration Changes Using an Integrated Hydrologic Model at the Rocky Flats Environmental Technology Site, Colorado

NASA Astrophysics Data System (ADS)

Prucha, R. H.; Dayton, C. S.; Hawley, C. M.

2002-12-01

The Rocky Flats Environmental Technology Site (RFETS) in Golden, Colorado, a former Department of Energy nuclear weapons manufacturing facility, is currently undergoing closure. The natural semi-arid interaction between surface and subsurface flow at RFETS is complex and complicated by the industrial modifications to the flow system. Using a substantial site data set, a distributed parameter, fully-integrated hydrologic model was developed to assess the hydrologic impact of different hypothetical site closure configurations on the current flow system and to better understand the integrated hydrologic behavior of the system. An integrated model with this level of detail has not been previously developed in a semi-arid area, and a unique, but comprehensive, approach was required to calibrate and validate the model. Several hypothetical scenarios were developed to simulate hydrologic effects of modifying different aspects of the site. For example, some of the simulated modifications included regrading the current land surface, changing the existing surface channel network, removing subsurface trenches and gravity drain flow systems, installing a slurry wall and geotechnical cover, changing the current vegetative cover, and converting existing buildings and pavement to permeable soil areas. The integrated flow model was developed using a rigorous physically-based code so that realistic design parameters can simulate these changes. This code also permitted evaluation of changes to complex integrated hydrologic system responses that included channelized and overland flow, pond levels, unsaturated zone storage, groundwater heads and flow directions, and integrated water balances for key areas. Results generally show that channel flow offsite decreases substantially for different scenarios, while groundwater heads generally increase within the reconfigured industrial area most of which is then discharged as evapotranspiration. These changes have significant implications to site closure and operation.

Finite-difference method Stokes solver (FDMSS) for 3D pore geometries: Software development, validation and case studies

NASA Astrophysics Data System (ADS)

Gerke, Kirill M.; Vasilyev, Roman V.; Khirevich, Siarhei; Collins, Daniel; Karsanina, Marina V.; Sizonenko, Timofey O.; Korost, Dmitry V.; Lamontagne, Sébastien; Mallants, Dirk

2018-05-01

Permeability is one of the fundamental properties of porous media and is required for large-scale Darcian fluid flow and mass transport models. Whilst permeability can be measured directly at a range of scales, there are increasing opportunities to evaluate permeability from pore-scale fluid flow simulations. We introduce the free software Finite-Difference Method Stokes Solver (FDMSS) that solves Stokes equation using a finite-difference method (FDM) directly on voxelized 3D pore geometries (i.e. without meshing). Based on explicit convergence studies, validation on sphere packings with analytically known permeabilities, and comparison against lattice-Boltzmann and other published FDM studies, we conclude that FDMSS provides a computationally efficient and accurate basis for single-phase pore-scale flow simulations. By implementing an efficient parallelization and code optimization scheme, permeability inferences can now be made from 3D images of up to 109 voxels using modern desktop computers. Case studies demonstrate the broad applicability of the FDMSS software for both natural and artificial porous media.

Generalized lattice Boltzmann model for flow through tight porous media with Klinkenberg's effect

NASA Astrophysics Data System (ADS)

Chen, Li; Fang, Wenzhen; Kang, Qinjun; De'Haven Hyman, Jeffrey; Viswanathan, Hari S.; Tao, Wen-Quan

2015-03-01

Gas slippage occurs when the mean free path of the gas molecules is in the order of the characteristic pore size of a porous medium. This phenomenon leads to Klinkenberg's effect where the measured permeability of a gas (apparent permeability) is higher than that of the liquid (intrinsic permeability). A generalized lattice Boltzmann model is proposed for flow through porous media that includes Klinkenberg's effect, which is based on the model of Guo et al. [Phys. Rev. E 65, 046308 (2002), 10.1103/PhysRevE.65.046308]. The second-order Beskok and Karniadakis-Civan's correlation [A. Beskok and G. Karniadakis, Microscale Thermophys. Eng. 3, 43 (1999), 10.1080/108939599199864 and F. Civan, Transp. Porous Med. 82, 375 (2010), 10.1007/s11242-009-9432-z] is adopted to calculate the apparent permeability based on intrinsic permeability and the Knudsen number. Fluid flow between two parallel plates filled with porous media is simulated to validate the model. Simulations performed in a heterogeneous porous medium with components of different porosity and permeability indicate that Klinkenberg's effect plays a significant role on fluid flow in low-permeability porous media, and it is more pronounced as the Knudsen number increases. Fluid flow in a shale matrix with and without fractures is also studied, and it is found that the fractures greatly enhance the fluid flow and Klinkenberg's effect leads to higher global permeability of the shale matrix.

Biocompatible materials developments for new medical implants.

PubMed

Hodgins, Diana; Wasikiewicz, J M; Grahn, M F; Paul, D; Roohpour, N; Vadgama, P; Silmon, Angela M; Cousins, Bernard; Verdon, Brian

2007-10-01

Recent work on modifying silicone rubber to improve water permeability and biocompatibility is described. In addition, modifications to the interface between an active implanted device and the body are reported, which have led to reduced power consumption and improved device performance.

Effect of modeling factors on the dissolution-diffusion-convection process during CO2 geological storage in deep saline formations

NASA Astrophysics Data System (ADS)

Zhang, Wei

2013-06-01

It is well known that during CO2 geological storage, density-driven convective activity can significantly accelerate the dissolution of injected CO2 into water. This action could limit the escape of supercritical CO2 from the storage formation through vertical pathways such as fractures, faults and abandoned wells, consequently increasing permanence and security of storage. First, we investigated the effect of numerical perturbation caused by time and grid resolution and the convergence criteria on the dissolution-diffusion-convection (DDC) process. Then, using the model with appropriate spatial and temporal resolution, some uncertainty parameters investigated in our previous paper such as initial gas saturation and model boundaries, and other factors such as relative liquid permeability and porosity modification were used to examine their effects on the DDC process. Finally, we compared the effect of 2D and 3D models on the simulation of the DDC process. The above modeling results should contribute to clear understanding and accurate simulation of the DDC process, especially the onset of convective activity, and the CO2 dissolution rate during the convection-dominated stage.

Clostridium sordellii lethal toxin kills mice by inducing a major increase in lung vascular permeability.

PubMed

Geny, Blandine; Khun, Huot; Fitting, Catherine; Zarantonelli, Leticia; Mazuet, Christelle; Cayet, Nadège; Szatanik, Marek; Prevost, Marie-Christine; Cavaillon, Jean-Marc; Huerre, Michel; Popoff, Michel R

2007-03-01

When intraperitoneally injected into Swiss mice, Clostridium sordellii lethal toxin reproduces the fatal toxic shock syndrome observed in humans and animals after natural infection. This animal model was used to study the mechanism of lethal toxin-induced death. Histopathological and biochemical analyses identified lung and heart as preferential organs targeted by lethal toxin. Massive extravasation of blood fluid in the thoracic cage, resulting from an increase in lung vascular permeability, generated profound modifications such as animal dehydration, increase in hematocrit, hypoxia, and finally, cardiorespiratory failure. Vascular permeability increase induced by lethal toxin resulted from modifications of lung endothelial cells as evidenced by electron microscopy. Immunohistochemical analysis demonstrated that VE-cadherin, a protein participating in intercellular adherens junctions, was redistributed from membrane to cytosol in lung endothelial cells. No major sign of lethal toxin-induced inflammation was observed that could participate in the toxic shock syndrome. The main effect of the lethal toxin is the glucosylation-dependent inactivation of small GTPases, in particular Rac, which is involved in actin polymerization occurring in vivo in lungs leading to E-cadherin junction destabilization. We conclude that the cells most susceptible to lethal toxin are lung vascular endothelial cells, the adherens junctions of which were altered after intoxication.

Clostridium sordellii Lethal Toxin Kills Mice by Inducing a Major Increase in Lung Vascular Permeability

PubMed Central

Geny, Blandine; Khun, Huot; Fitting, Catherine; Zarantonelli, Leticia; Mazuet, Christelle; Cayet, Nadège; Szatanik, Marek; Prevost, Marie-Christine; Cavaillon, Jean-Marc; Huerre, Michel; Popoff, Michel R.

2007-01-01

When intraperitoneally injected into Swiss mice, Clostridium sordellii lethal toxin reproduces the fatal toxic shock syndrome observed in humans and animals after natural infection. This animal model was used to study the mechanism of lethal toxin-induced death. Histopathological and biochemical analyses identified lung and heart as preferential organs targeted by lethal toxin. Massive extravasation of blood fluid in the thoracic cage, resulting from an increase in lung vascular permeability, generated profound modifications such as animal dehydration, increase in hematocrit, hypoxia, and finally, cardiorespiratory failure. Vascular permeability increase induced by lethal toxin resulted from modifications of lung endothelial cells as evidenced by electron microscopy. Immunohistochemical analysis demonstrated that VE-cadherin, a protein participating in intercellular adherens junctions, was redistributed from membrane to cytosol in lung endothelial cells. No major sign of lethal toxin-induced inflammation was observed that could participate in the toxic shock syndrome. The main effect of the lethal toxin is the glucosylation-dependent inactivation of small GTPases, in particular Rac, which is involved in actin polymerization occurring in vivo in lungs leading to E-cadherin junction destabilization. We conclude that the cells most susceptible to lethal toxin are lung vascular endothelial cells, the adherens junctions of which were altered after intoxication. PMID:17322384

A Simulation Tool for Dynamic Contrast Enhanced MRI

PubMed Central

Mauconduit, Franck; Christen, Thomas; Barbier, Emmanuel Luc

2013-01-01

The quantification of bolus-tracking MRI techniques remains challenging. The acquisition usually relies on one contrast and the analysis on a simplified model of the various phenomena that arise within a voxel, leading to inaccurate perfusion estimates. To evaluate how simplifications in the interstitial model impact perfusion estimates, we propose a numerical tool to simulate the MR signal provided by a dynamic contrast enhanced (DCE) MRI experiment. Our model encompasses the intrinsic and relaxations, the magnetic field perturbations induced by susceptibility interfaces (vessels and cells), the diffusion of the water protons, the blood flow, the permeability of the vessel wall to the the contrast agent (CA) and the constrained diffusion of the CA within the voxel. The blood compartment is modeled as a uniform compartment. The different blocks of the simulation are validated and compared to classical models. The impact of the CA diffusivity on the permeability and blood volume estimates is evaluated. Simulations demonstrate that the CA diffusivity slightly impacts the permeability estimates ( for classical blood flow and CA diffusion). The effect of long echo times is investigated. Simulations show that DCE-MRI performed with an echo time may already lead to significant underestimation of the blood volume (up to 30% lower for brain tumor permeability values). The potential and the versatility of the proposed implementation are evaluated by running the simulation with realistic vascular geometry obtained from two photons microscopy and with impermeable cells in the extravascular environment. In conclusion, the proposed simulation tool describes DCE-MRI experiments and may be used to evaluate and optimize acquisition and processing strategies. PMID:23516414

In vitro and ex vivo evaluation of polymeric nanoparticles for vaginal and rectal delivery of the anti-HIV drug dapivirine.

PubMed

das Neves, José; Araújo, Francisca; Andrade, Fernanda; Michiels, Johan; Ariën, Kevin K; Vanham, Guido; Amiji, Mansoor; Bahia, Maria Fernanda; Sarmento, Bruno

2013-07-01

Prevention strategies such as the development of microbicides are thought to be valuable in the fight against HIV/AIDS. Despite recent achievements, there is still a long road ahead in the field, particularly at the level of drug formulation. Drug nanocarriers based on polymers may be useful in enhancing local drug delivery while limiting systemic exposure. We prepared differently surface-engineered poly(ε-caprolactone) (PCL) nanoparticles (NPs) and tested their ability to modulate the permeability and retention of dapivirine in cell monolayers and pig vaginal and rectal mucosa. NPs coated with poly(ethylene oxide) (PEO) were shown able to reduce permeability across monolayers/tissues, while modification of nanosystems with cetyl trimethylammonium bromide (CTAB) enhanced transport. In the case of coating NPs with sodium lauryl sulfate (SLS), dapivirine permeability was unchanged. All NPs increased monolayer/tissue drug retention as compared to unformulated dapivirine. This fact was associated, at least partially, to the ability of NPs to be taken up by cells or penetrate mucosal tissue. Cell and tissue toxicity was also affected differently by NPs: PEO modification decreased the in vitro (but not ex vivo) toxicity of dapivirine, while higher toxicity was generally observed for NPs coated with SLS or CTAB. Overall, presented results support that PCL nanoparticles are capable of modulating drug permeability and retention in cell monolayers and mucosal tissues relevant for vaginal and rectal delivery of microbicides. In particular, PEO-modified dapivirine-loaded PCL NPs may be advantageous in increasing drug residence at epithelial cell lines/mucosal tissues, which may potentially increase the efficacy of microbicide drugs.

Plasma technologies application for building materials surface modification

NASA Astrophysics Data System (ADS)

Volokitin, G. G.; Skripnikova, N. K.; Volokitin, O. G.; Shehovtzov, V. V.; Luchkin, A. G.; Kashapov, N. F.

2016-01-01

Low temperature arc plasma was used to process building surface materials, such as silicate brick, sand lime brick, concrete and wood. It was shown that building surface materials modification with low temperature plasma positively affects frost resistance, water permeability and chemical resistance with high adhesion strength. Short time plasma processing is rather economical than traditional processing thermic methods. Plasma processing makes wood surface uniquely waterproof and gives high operational properties, dimensional and geometrical stability. It also increases compression resistance and decreases inner tensions level in material.

Constructive Activation of Reservoir-Resident Microbes for Enhanced Oil Recovery

NASA Astrophysics Data System (ADS)

DeBruyn, R. P.

2017-12-01

Microbial communities living in subsurface oil reservoirs biodegrade oil, producing methane. If this process could create methane within the waterflooded pore spaces of an oilfield, the methane would be expected to remain and occupy pore space, decreasing water relative permeability, diverting water flow, and increasing oil recovery by expanding the swept zone of the waterflood. This approach was tested in an oilfield in northern Montana. Preliminary assessments were made of geochemical conditions and microbiological habitations. Then, a formulation of microbial activators, with composition tailored for the reservoir's conditions, was metered at low rates into the existing injection water system for one year. In the field, the responses observed included improved oil production performance; a slight increase in injection pressure; and increased time needed for tracers to move between injection and producing wells. We interpret these results to confirm that successful stimulation of the microbial community caused more methane to be created within the swept zone of the waterflooded reservoir. When the methane exsolved as water flowed between high-pressure injection and low-pressure production wells, the bubbles occupied pore space, reducing water saturation and relative permeability, and re-directing some water flow to "slower" unswept rock with lower permeability and higher oil saturation. In total, the waterflood's swept zone had been expanded to include previously-unflooded rock. This technology was applied in this field after screening based on careful anaerobic sampling, advanced microbiological analysis, and the ongoing success of its waterflood. No reservoir or geological or geophysical simulation models were employed, and physical modifications to field facilities were minor. This technology of utilizing existing microbial populations for enhanced oil recovery can therefore be considered for deployment into waterfloods where small scale, advanced maturity, or insufficiency of data make other technologies too expensive.

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.

Influence of aminosilane precursor concentration on physicochemical properties of composite Nafion membranes for vanadium redox flow battery applications

NASA Astrophysics Data System (ADS)

Kondratenko, Mikhail S.; Karpushkin, Evgeny A.; Gvozdik, Nataliya A.; Gallyamov, Marat O.; Stevenson, Keith J.; Sergeyev, Vladimir G.

2017-02-01

A series of composite proton-exchange membranes have been prepared via sol-gel modification of commercial Nafion membranes with [N-(2-aminoethyl)-3-aminopropyl]trimethoxysilane. The structure and physico-chemical properties (water uptake, ion-exchange capacity, vanadyl ion permeability, and proton conductivity) of the prepared composite membranes have been studied as a function of the precursor loading (degree of the membrane modification). If the amount of the precursor is below 0.4/1 M ratio of the amino groups of the precursor to the sulfonic groups of Nafion, the composite membranes exhibit decreased vanadium ion permeability while having relatively high proton conductivity. With respect to the use of a non-modified Nafion membrane, the performance of the composite membrane with an optimum precursor loading in a single-cell vanadium redox flow battery demonstrates enhanced energy efficiency in 20-80 mA cm-2 current density range. The maximum efficiency increase of 8% is observed at low current densities.

The Endoplasmic Reticulum Membrane Is Permeable to Small Molecules

PubMed Central

Le Gall, Sylvie; Neuhof, Andrea; Rapoport, Tom

2004-01-01

The lumen of the endoplasmic reticulum (ER) differs from the cytosol in its content of ions and other small molecules, but it is unclear whether the ER membrane is as impermeable as other membranes in the cell. Here, we have tested the permeability of the ER membrane to small, nonphysiological molecules. We report that isolated ER vesicles allow different chemical modification reagents to pass from the outside into the lumen with little hindrance. In permeabilized cells, the ER membrane allows the passage of a small, charged modification reagent that is unable to cross the plasma membrane or the lysosomal and trans-Golgi membranes. A larger polar reagent of ∼5 kDa is unable to pass through the ER membrane. Permeation of the small molecules is passive because it occurs at low temperature in the absence of energy. These data indicate that the ER membrane is significantly more leaky than other cellular membranes, a property that may be required for protein folding and other functions of the ER. PMID:14617815

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)].

A fully-coupled discontinuous Galerkin spectral element method for two-phase flow in petroleum reservoirs

NASA Astrophysics Data System (ADS)

Taneja, Ankur; Higdon, Jonathan

2018-01-01

A high-order spectral element discontinuous Galerkin method is presented for simulating immiscible two-phase flow in petroleum reservoirs. The governing equations involve a coupled system of strongly nonlinear partial differential equations for the pressure and fluid saturation in the reservoir. A fully implicit method is used with a high-order accurate time integration using an implicit Rosenbrock method. Numerical tests give the first demonstration of high order hp spatial convergence results for multiphase flow in petroleum reservoirs with industry standard relative permeability models. High order convergence is shown formally for spectral elements with up to 8th order polynomials for both homogeneous and heterogeneous permeability fields. Numerical results are presented for multiphase fluid flow in heterogeneous reservoirs with complex geometric or geologic features using up to 11th order polynomials. Robust, stable simulations are presented for heterogeneous geologic features, including globally heterogeneous permeability fields, anisotropic permeability tensors, broad regions of low-permeability, high-permeability channels, thin shale barriers and thin high-permeability fractures. A major result of this paper is the demonstration that the resolution of the high order spectral element method may be exploited to achieve accurate results utilizing a simple cartesian mesh for non-conforming geological features. Eliminating the need to mesh to the boundaries of geological features greatly simplifies the workflow for petroleum engineers testing multiple scenarios in the face of uncertainty in the subsurface geology.

Effect of oxide films on hydrogen permeability of candidate Stirling engine heater head tube alloys

NASA Technical Reports Server (NTRS)

Schuon, S. R.; Misencik, J. A.

1981-01-01

The effect of oxide films developed in situ from CO/CO2 doped hydrogen on high pressure hydrogen permeability at 820 C was studied on N-155, A-286, IN 800, 19-9DL, Nitronic 40, HS-188, and IN 718 tubing in a Stirling materials simulator. The hydrogen permeability decreased with increasing dopant levels of CO or CO2 and corresponding decreases in oxide porosity. Minor reactive alloying elements strongly influenced permeability. At high levels of CO or CO2, a liquid oxide formed on alloys with greater than 50 percent Fe. This caused increased permeability. The oxides formed on the inside tube walls were analyzed and their effective permeabilities were calculated.

Pumping-Induced Unsaturated Regions Beneath a Perennial River

NASA Astrophysics Data System (ADS)

Su, G. W.; Jasperse, J.; Seymour, D.; Constantz, J.; Delaney, C.; Zhou, Q.

2006-12-01

The development of an unsaturated region beneath a streambed during groundwater pumping near streams reduces the capacity of the pumping system, changes flow paths, and alters the types of biological transformations in the streambed sediments. To investigate the formation of an unsaturated region beneath the streambed during near-stream groundwater pumping, a three-dimensional, multi-phase flow model was developed using TOUGH2 of the region near two horizontal collector wells operated by the Sonoma County Water Agency along the Russian River near Forestville, California. The simulations focus on the impact of streambed permeability on the development of an unsaturated region since streambed permeability controls the flux of river water entering and recharging the aquifer. The results indicate that as the streambed permeability decreases relative to the aquifer permeability, the size of the unsaturated region beneath the streambed increases. The simulations also demonstrate that the streambed permeabilities over which the aquifer beneath the streambed is unsaturated and able to extract water at the specified rate of 3200 m3/hr occurs over a relatively narrow range of values. Field measurements of streambed flow velocities, volumetric water content, and temperatures near the collector wells are also presented and compared with the simulation results. This work was supported by the Sonoma County Water Agency, through U.S. Department of Energy Contract No. DE-AC03-76SF00098.

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).

[Transformation of natural products into more potent compounds: chemical modification of monensin].

PubMed

Nagatsu, A; Sakakibara, J

1997-09-01

Monensin (1) is a representative compound of polyether ionophore antibiotics, which selectively transport Na+ ions. In order to obtain potent Na+ ionophores, the modification of the carboxyl group of monensin was carried out to yield monensylamino acids (2) and monensylamino acid-1,29-lactones (3). The Na+ permeability of ion through the erythrocyte membrane of 2 and 3 was evaluated by the 23Na-NMR method. Compound 2 showed less Na+ ion transport activity than monensin, probably due to the lower lipophilicity caused by the conformational change of the chain moiety of the molecules. Although 3 showed higher lipophilisity than 1, 3 had no Na+ ion permeability, probably due to loss of the carboxyl group. As more lipophilic compounds possessing a carboxyl group was supposed to have more ion transport activity, 7-O-acylmonensins (8) and 7-O-alkylmonensins (11) were synthesized. Among these compounds, the value of Na+ ion permeability of 7-O-benzylmonensin (11c) was 1.4 time that of 1. Further investigation was carried out by preparing various 7-O-(substituted benzyl)monensins (13), and 7-O-(p-ethylbenzyl)monensin (13b) exhibited the largest Na+ ion permeability, about twice the value of 1. In order to convert monensin (1) to Ca2+ ionophore, 7-carboxylmethylmonensin (18) via protected 7-oxomonensin (15), and 25-carboxylmonensin (26) were prepared. In the course of the synthesis, 15 was clarified as a useful intermediate to give 7-amino and 7-alkyl derivatives. Ca2+ ion transport activities of 18 and 26 were determined by a CHCl3 liquid membrane system. 25-carboxylmonensin (26) showed 70% of the activity of Ca2+ ionophore, lasalocid A, and compound 26 could be the lead compound for the preparation of a new Ca2+ ionophore.

Study report on modification of the long term circulatory model for the simulation of bed rest

NASA Technical Reports Server (NTRS)

Leonard, J. I.; Grounds, D. J.

1977-01-01

Modifications were made of the circulatory, fluid, and electrolyte control model which was based on the model of Guyton. The modifications included separate leg compartments and the addition of gravity dependency. It was found that these modifications allowed for more accurate bed rest simulation by simulating changes in the orthostatic gradient and simulating the response to the fluid shifts associated with bed rest.

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

Regional flow simulation in fractured aquifers using stress-dependent parameters.

PubMed

Preisig, Giona; Joel Cornaton, Fabien; Perrochet, Pierre

2012-01-01

A model function relating effective stress to fracture permeability is developed from Hooke's law, implemented in the tensorial form of Darcy's law, and used to evaluate discharge rates and pressure distributions at regional scales. The model takes into account elastic and statistical fracture parameters, and is able to simulate real stress-dependent permeabilities from laboratory to field studies. This modeling approach gains in phenomenology in comparison to the classical ones because the permeability tensors may vary in both strength and principal directions according to effective stresses. Moreover this method allows evaluation of the fracture porosity changes, which are then translated into consolidation of the medium. © 2011, The Author(s). Ground Water © 2011, National Ground Water Association.

Development of cost-effective surfactant flooding technology. Final report

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

Pope, G.A.; Sepehrnoori, K.

1996-11-01

Task 1 of this research was the development of a high-resolution, fully implicit, finite-difference, multiphase, multicomponent, compositional simulator for chemical flooding. The major physical phenomena modeled in this simulator are dispersion, heterogeneous permeability and porosity, adsorption, interfacial tension, relative permeability and capillary desaturation, compositional phase viscosity, compositional phase density and gravity effects, capillary pressure, and aqueous-oleic-microemulsion phase behavior. Polymer and its non-Newtonian rheology properties include shear-thinning viscosity, permeability reduction, inaccessible pore volume, and adsorption. Options of constant or variable space grids and time steps, constant-pressure or constant-rate well conditions, horizontal and vertical wells, and multiple slug injections are also availablemore » in the simulator. The solution scheme used in this simulator is fully implicit. The pressure equation and the mass-conservation equations are solved simultaneously for the aqueous-phase pressure and the total concentrations of each component. A third-order-in-space, second-order-in-time finite-difference method and a new total-variation-diminishing (TVD) third-order flux limiter are used that greatly reduce numerical dispersion effects. Task 2 was the optimization of surfactant flooding. The code UTCHEM was used to simulate surfactant polymer flooding.« less

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).

Contaminant transport in fractured rocks with significant matrix permeability, using natural fracture geometries

NASA Astrophysics Data System (ADS)

Odling, Noelle E.; Roden, Julie E.

1997-09-01

Some results from numerical models of flow and contaminant transport in fractured permeable rocks, where fractures are more conductive than rock matrix, are described. The 2D flow field in the fractured and permeable rock matrix is calculated using a finite difference, 'conductance mesh' method, and the contaminant transport is simulated by particle tracking methods using an advection-biased, random walk technique. The model is applied to simulated and naturally occurring fracture patterns. The simulated pattern is an en echelon array of unconnected fractures, as an example of a common, naturally occurring fracture geometry. Two natural fracture patterns are used: one of unconnected, sub-parallel fractures and one with oblique fracture sets which is well connected. Commonly occurring matrix permeability and fracture aperture values are chosen. The simulations show that the presence of fractures creates complex and heterogeneous flow fields and contaminant distribution in the permeable rock matrix. The modelling results have shown that some effects are non-intuitive and therefore difficult to foresee without the help of a model. With respect to contaminant transport rates and plume heterogeneity, it was found that fracture connectivity (crucial when the matrix is impermeable) can play a secondary role to fracture orientation and density. Connected fracture systems can produce smooth break-through curves of contaminants summed over, for example, a bore-hole length, whereas in detail the contaminant plume is spatially highly heterogeneous. Close to a constant-pressure boundary (e.g. an extraction bore-hole), flow and contaminants can be channelled by fractures. Thus observations at a bore-hole may suggest that contaminants are largely confined to the fracture system, when, in fact, significant contamination resides in the matrix.

Multiscale fracture network characterization and impact on flow: A case study on the Latemar carbonate platform

NASA Astrophysics Data System (ADS)

Hardebol, N. J.; Maier, C.; Nick, H.; Geiger, S.; Bertotti, G.; Boro, H.

2015-12-01

A fracture network arrangement is quantified across an isolated carbonate platform from outcrop and aerial imagery to address its impact on fluid flow. The network is described in terms of fracture density, orientation, and length distribution parameters. Of particular interest is the role of fracture cross connections and abutments on the effective permeability. Hence, the flow simulations explicitly account for network topology by adopting Discrete-Fracture-and-Matrix description. The interior of the Latemar carbonate platform (Dolomites, Italy) is taken as outcrop analogue for subsurface reservoirs of isolated carbonate build-ups that exhibit a fracture-dominated permeability. New is our dual strategy to describe the fracture network both as deterministic- and stochastic-based inputs for flow simulations. The fracture geometries are captured explicitly and form a multiscale data set by integration of interpretations from outcrops, airborne imagery, and lidar. The deterministic network descriptions form the basis for descriptive rules that are diagnostic of the complex natural fracture arrangement. The fracture networks exhibit a variable degree of multitier hierarchies with smaller-sized fractures abutting against larger fractures under both right and oblique angles. The influence of network topology on connectivity is quantified using Discrete-Fracture-Single phase fluid flow simulations. The simulation results show that the effective permeability for the fracture and matrix ensemble can be 50 to 400 times higher than the matrix permeability of 1.0 · 10-14 m2. The permeability enhancement is strongly controlled by the connectivity of the fracture network. Therefore, the degree of intersecting and abutting fractures should be captured from outcrops with accuracy to be of value as analogue.

"Green" synthesized and coated nanaosilver alters the membrance permeability of barrier (intestinal, brain, endothelial) cells and stimulates oxidative stress pathways in neurons.

EPA Science Inventory

Nanosilver's (nanoAg) use in medical applications and consumer products is increasing. Because of this, its "green" synthesis and surface modification with beneficial coatings are desirable. Given nanoAg's potential exposure routes (e.g., dermal, intestin...

Hydrologic Futures: Using Scenario Analysis to Evaluate Impacts of Forecasted Land Use Change on Hydrologic Services

EPA Science Inventory

Land cover and land use changes can substantially alter hydrologic ecosystem services. Water availability and quality can change with modifications to the type or amount of surface vegetation, the permeability of soil and other surfaces, and the introduction of contaminants throu...

In Silico Determination of Gas Permeabilities by Non-Equilibrium Molecular Dynamics: CO2 and He through PIM-1

PubMed Central

Frentrup, Hendrik; Hart, Kyle E.; Colina, Coray M.; Müller, Erich A.

2015-01-01

We study the permeation dynamics of helium and carbon dioxide through an atomistically detailed model of a polymer of intrinsic microporosity, PIM-1, via non-equilibrium molecular dynamics (NEMD) simulations. This work presents the first explicit molecular modeling of gas permeation through a high free-volume polymer sample, and it demonstrates how permeability and solubility can be obtained coherently from a single simulation. Solubilities in particular can be obtained to a very high degree of confidence and within experimental inaccuracies. Furthermore, the simulations make it possible to obtain very specific information on the diffusion dynamics of penetrant molecules and yield detailed maps of gas occupancy, which are akin to a digital tomographic scan of the polymer network. In addition to determining permeability and solubility directly from NEMD simulations, the results shed light on the permeation mechanism of the penetrant gases, suggesting that the relative openness of the microporous topology promotes the anomalous diffusion of penetrant gases, which entails a deviation from the pore hopping mechanism usually observed in gas diffusion in polymers. PMID:25764366

Simulating single-phase and two-phase non-Newtonian fluid flow of a digital rock scanned at high resolution

NASA Astrophysics Data System (ADS)

Tembely, Moussa; Alsumaiti, Ali M.; Jouini, Mohamed S.; Rahimov, Khurshed; Dolatabadi, Ali

2017-11-01

Most of the digital rock physics (DRP) simulations focus on Newtonian fluids and overlook the detailed description of rock-fluid interaction. A better understanding of multiphase non-Newtonian fluid flow at pore-scale is crucial for optimizing enhanced oil recovery (EOR). The Darcy scale properties of reservoir rocks such as the capillary pressure curves and the relative permeability are controlled by the pore-scale behavior of the multiphase flow. In the present work, a volume of fluid (VOF) method coupled with an adaptive meshing technique is used to perform the pore-scale simulation on a 3D X-ray micro-tomography (CT) images of rock samples. The numerical model is based on the resolution of the Navier-Stokes equations along with a phase fraction equation incorporating the dynamics contact model. The simulations of a single phase flow for the absolute permeability showed a good agreement with the literature benchmark. Subsequently, the code is used to simulate a two-phase flow consisting of a polymer solution, displaying a shear-thinning power law viscosity. The simulations enable to access the impact of the consistency factor (K), the behavior index (n), along with the two contact angles (advancing and receding) on the relative permeability.

Uncertainty quantification and risk analyses of CO2 leakage in heterogeneous geological formations

NASA Astrophysics Data System (ADS)

Hou, Z.; Murray, C. J.; Rockhold, M. L.

2012-12-01

A stochastic sensitivity analysis framework is adopted to evaluate the impact of spatial heterogeneity in permeability on CO2 leakage risk. The leakage is defined as the total mass of CO2 moving into the overburden through the caprock-overburden interface, in both gaseous and liquid (dissolved) phases. The entropy-based framework has the ability to quantify the uncertainty associated with the input parameters in the form of prior pdfs (probability density functions). Effective sampling of the prior pdfs enables us to fully explore the parameter space and systematically evaluate the individual and combined effects of the parameters of interest on CO2 leakage risk. The parameters that are considered in the study include: mean, variance, and horizontal to vertical spatial anisotropy ratio for caprock permeability, and those same parameters for reservoir permeability. Given the sampled spatial variogram parameters, multiple realizations of permeability fields were generated using GSLIB subroutines. For each permeability field, a numerical simulator, STOMP, (in the water-salt-CO2-energy operational mode) is used to simulate the CO2 migration within the reservoir and caprock up to 50 years after injection. Due to intensive computational demand, we run both a scalable version simulator eSTOMP and serial STOMP on various supercomputers. We then perform statistical analyses and summarize the relationships between the parameters of interest (mean/variance/anisotropy ratio of caprock and reservoir permeability) and CO2 leakage ratio. We also present the effects of those parameters on CO2 plume radius and reservoir injectivity. The statistical analysis provides a reduced order model that can be used to estimate the impact of heterogeneity on caprock leakage.

Pore Pressure Distribution and Flank Instability in Hydrothermally Altered Stratovolcanoes

NASA Astrophysics Data System (ADS)

Ball, J. L.; Taron, J.; Hurwitz, S.; Reid, M. E.

2015-12-01

Field and geophysical investigations of stratovolcanoes with long-lived hydrothermal systems commonly reveal that initially permeable regions (such as brecciated layers of pyroclastic material) can become both altered and water-bearing. Hydrothermal alteration in these regions, including clay formation, can turn them into low-permeability barriers to fluid flow, which could increase pore fluid pressures resulting in flank slope instability. We examined elevated pore pressure conditions using numerical models of hydrothermal flow in stratovolcanoes, informed by geophysical data about internal structures and deposits. Idealized radially symmetric meshes were developed based on cross-sectional profiles and alteration/permeability structures of Cascade Range stratovolcanoes. We used the OpenGeoSys model to simulate variably saturated conditions in volcanoes heated only by regional heat fluxes, as well as 650°C intrusions at two km depth below the surface. Meteoric recharge was estimated from precipitation rates in the Cascade Range. Preliminary results indicate zones of elevated pore pressures form: 1) where slopes are underlain by continuous low-permeability altered layers, or 2) when the edifice has an altered core with saturated, less permeable limbs. The first scenario might control shallow collapses on the slopes above the altered layers. The second could promote deeper flank collapses that are initially limited to the summit and upper slopes, but could progress to the core of an edifice. In both scenarios, pore pressures can be further elevated by shallow intrusions, or evolve over longer time scales under forcing from regional heat flux. Geometries without confining low-permeability layers do not show these pressure effects. Our initial scenarios use radially symmetric models, but we are also simulating hydrothermal flow under real 3D geometries with asymmetric subsurface structures (Mount Adams). Simulation results will be used to inform 3D slope-stability models.

Groundwater flow, heat transport, and water table position within volcanic edifices: Implications for volcanic processes in the Cascade Range

USGS Publications Warehouse

Hurwitz, S.; Kipp, K.L.; Ingebritsen, S.E.; Reid, M.E.

2003-01-01

The position of the water table within a volcanic edifice has significant implications for volcano hazards, geothermal energy, and epithermal mineralization. We have modified the HYDROTHERM numerical simulator to allow for a free-surface (water table) upper boundary condition and a wide range of recharge rates, heat input rates, and thermodynamic conditions representative of continental volcano-hydrothermal systems. An extensive set of simulations was performed on a hypothetical stratovolcano system with unconfined groundwater flow. Simulation results suggest that the permeability structure of the volcanic edifice and underlying material is the dominant control on water table elevation and the distribution of pressures, temperatures, and fluid phases at depth. When permeabilities are isotropic, water table elevation decreases with increasing heat flux and increases with increasing recharge, but when permeabilities are anisotropic, these effects can be much less pronounced. Several conditions facilitate the ascent of a hydrothermal plume into a volcanic edifice: a sufficient source of heat and magmatic volatiles at depth, strong buoyancy forces, and a relatively weak topography-driven flow system. Further, the plume must be connected to a deep heat source through a pathway with a time-averaged effective permeability ???1 ?? 10-16 m2, which may be maintained by frequent seismicity. Topography-driven flow may be retarded by low permeability in the edifice and/or the lack of precipitation recharge; in the latter case, the water table may be relatively deep. Simulation results were compared with observations from the Quaternary stratovolcanoes along the Cascade Range of the western United States to infer hydrothermal processes within the edifices. Extensive ice caps on many Cascade Range stratovolcanoes may restrict recharge on the summits and uppermost flanks. Both the simulation results and limited observational data allow for the possibility that the water table beneath the stratovolcanoes is relatively deep.

Mapping Cd²⁺-induced membrane permeability changes of single live cells by means of scanning electrochemical microscopy.

PubMed

Filice, Fraser P; Li, Michelle S M; Henderson, Jeffrey D; Ding, Zhifeng

2016-02-18

Scanning Electrochemical Microscopy (SECM) is a powerful, non-invasive, analytical methodology that can be used to investigate live cell membrane permeability. Depth scan SECM imaging allowed for the generation of 2D current maps of live cells relative to electrode position in the x-z or y-z plane. Depending on resolution, one depth scan image can contain hundreds of probe approach curves (PACs). Individual PACs were obtained by simply extracting vertical cross-sections from the 2D image. These experimental PACs were overlaid onto theoretically generated PACs simulated at specific geometry conditions. Simulations were carried out using 3D models in COMSOL Multiphysics to determine the cell membrane permeability coefficients at different locations on the surface of the cells. Common in literature, theoretical PACs are generated using a 2D axially symmetric geometry. This saves on both compute time and memory utilization. However, due to symmetry limitations of the model, only one experimental PAC right above the cell can be matched with simulated PAC data. Full 3D models in this article were developed for the SECM system of live cells, allowing all experimental PACs over the entire cell to become usable. Cd(2+)-induced membrane permeability changes of single human bladder (T24) cells were investigated at several positions above the cell, displaced from the central axis. The experimental T24 cells under study were incubated with Cd(2+) in varying concentrations. It is experimentally observed that 50 and 100 μM Cd(2+) caused a decrease in membrane permeability, which was uniform across all locations over the cell regardless of Cd(2+) concentration. The Cd(2+) was found to have detrimental effects on the cell, with cells shrinking in size and volume, and the membrane permeability decreasing. A mapping technique for the analysis of the cell membrane permeability under the Cd(2+) stress is realized by the methodology presented. Copyright © 2016 Elsevier B.V. All rights reserved.

The Effect of Wettability Heterogeneity on Relative Permeability of Two-Phase Flow in Porous Media: A Lattice Boltzmann Study

DOE PAGES

Zhao, Jianlin; Kang, Qinjun; Yao, Jun; ...

2018-02-27

Relative permeability is a critical parameter characterizing multiphase flow in porous media and it is strongly dependent on the wettability. In many situations, the porous media are nonuniformly wet. In this study, to investigate the effect of wettability heterogeneity on relative permeability of two-phase flow in porous media, a multi-relaxation-time color-gradient lattice Boltzmann model is adopted to simulate oil/water two-phase flow in porous media with different oil-wet solid fractions. For the water phase, when the water saturation is high, the relative permeability of water increases with the increase of oil-wet solid fraction under a constant water saturation. However, as themore » water saturation decreases to an intermediate value (about 0.4–0.7), the relative permeability of water in fractionally wet porous media could be lower than that in purely water-wet porous media, meaning additional flow resistance exists in the fractionally wet porous media. For the oil phase, similar phenomenon is observed. This phenomenon is mainly caused by the wettability-related microscale fluid distribution. According to both our simulation results and theoretical analysis, it is found that the relative permeability of two-phase flow in porous media is strongly related to three parameters: the fluid saturation, the specific interfacial length of fluid, and the fluid tortuosity in the flow direction. Lastly, the relationship between the relative permeability and these parameters under different capillary numbers is explored in this paper.« less

The Effect of Wettability Heterogeneity on Relative Permeability of Two-Phase Flow in Porous Media: A Lattice Boltzmann Study

NASA Astrophysics Data System (ADS)

Zhao, Jianlin; Kang, Qinjun; Yao, Jun; Viswanathan, Hari; Pawar, Rajesh; Zhang, Lei; Sun, Hai

2018-02-01

Relative permeability is a critical parameter characterizing multiphase flow in porous media and it is strongly dependent on the wettability. In many situations, the porous media are nonuniformly wet. To investigate the effect of wettability heterogeneity on relative permeability of two-phase flow in porous media, a multi-relaxation-time color-gradient lattice Boltzmann model is adopted to simulate oil/water two-phase flow in porous media with different oil-wet solid fractions. For the water phase, when the water saturation is high, the relative permeability of water increases with the increase of oil-wet solid fraction under a constant water saturation. However, as the water saturation decreases to an intermediate value (about 0.4-0.7), the relative permeability of water in fractionally wet porous media could be lower than that in purely water-wet porous media, meaning additional flow resistance exists in the fractionally wet porous media. For the oil phase, similar phenomenon is observed. This phenomenon is mainly caused by the wettability-related microscale fluid distribution. According to both our simulation results and theoretical analysis, it is found that the relative permeability of two-phase flow in porous media is strongly related to three parameters: the fluid saturation, the specific interfacial length of fluid, and the fluid tortuosity in the flow direction. The relationship between the relative permeability and these parameters under different capillary numbers is explored in this paper.

The Effect of Wettability Heterogeneity on Relative Permeability of Two-Phase Flow in Porous Media: A Lattice Boltzmann Study

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

Zhao, Jianlin; Kang, Qinjun; Yao, Jun

Relative permeability is a critical parameter characterizing multiphase flow in porous media and it is strongly dependent on the wettability. In many situations, the porous media are nonuniformly wet. In this study, to investigate the effect of wettability heterogeneity on relative permeability of two-phase flow in porous media, a multi-relaxation-time color-gradient lattice Boltzmann model is adopted to simulate oil/water two-phase flow in porous media with different oil-wet solid fractions. For the water phase, when the water saturation is high, the relative permeability of water increases with the increase of oil-wet solid fraction under a constant water saturation. However, as themore » water saturation decreases to an intermediate value (about 0.4–0.7), the relative permeability of water in fractionally wet porous media could be lower than that in purely water-wet porous media, meaning additional flow resistance exists in the fractionally wet porous media. For the oil phase, similar phenomenon is observed. This phenomenon is mainly caused by the wettability-related microscale fluid distribution. According to both our simulation results and theoretical analysis, it is found that the relative permeability of two-phase flow in porous media is strongly related to three parameters: the fluid saturation, the specific interfacial length of fluid, and the fluid tortuosity in the flow direction. Lastly, the relationship between the relative permeability and these parameters under different capillary numbers is explored in this paper.« less

Benchmarking of relative permeability

NASA Astrophysics Data System (ADS)

DiCarlo, D. A.

2017-12-01

Relative permeability is the key relation in terms of multi-phase flow through porous media. There are hundreds of published relative permeability curves for various media, some classic (Oak 90 and 91), some contradictory. This can lead to a confusing situation if one is trying to benchmark simulation results to "experimental data". Coming from the experimental side, I have found that modelers have too much trust in relative permeability data sets. In this talk, I will discuss reasons for discrepancies within and between data sets, and give guidance on which portions of the data sets are most solid in terms of matching through models.

Ionic Liquids as Surfactants for Layered Double Hydroxide Fillers: Effect on the Final Properties of Poly(Butylene Adipate-Co-Terephthalate)

PubMed Central

Livi, Sébastien; Lins, Luanda Chaves; Peter, Jakub; Kredatusova, Jana; Pruvost, Sébastien

2017-01-01

In this work, phosphonium ionic liquids (ILs) based on tetra-alkylphosphonium cations combined with carboxylate, phosphate and phosphinate anions, were used for organic modification of layered double hydroxide (LDH). Two different amounts (2 and 5 wt %) of the organically modified LDHs were mixed with poly(butylene adipate-co-terephthalate) (PBAT) matrix by melt extrusion. All prepared PBAT/IL-modified-LDH composites exhibited increased mechanical properties (20–50% Young’s modulus increase), decreased water vapor permeability (30–50% permeability coefficient reduction), and slight decreased crystallinity (10–30%) compared to the neat PBAT. PMID:28956811

Activated carbon fiber composite material and method of making

DOEpatents

Burchell, Timothy D.; Weaver, Charles E.; Chilcoat, Bill R.; Derbyshire, Frank; Jagtoyen, Marit

2000-01-01

An activated carbon fiber composite for separation and purification, or catalytic processing of fluids is described. The activated composite comprises carbon fibers rigidly bonded to form an open, permeable, rigid monolith capable of being formed to near-net-shape. Separation and purification of gases are effected by means of a controlled pore structure that is developed in the carbon fibers contained in the composite. The open, permeable structure allows the free flow of gases through the monolith accompanied by high rates of adsorption. By modification of the pore structure and bulk density the composite can be rendered suitable for applications such as gas storage, catalysis, and liquid phase processing.

Activated carbon fiber composite material and method of making

DOEpatents

Burchell, Timothy D.; Weaver, Charles E.; Chilcoat, Bill R.; Derbyshire, Frank; Jagtoyen, Marit

2001-01-01

An activated carbon fiber composite for separation and purification, or catalytic processing of fluids is described. The activated composite comprises carbon fibers rigidly bonded to form an open, permeable, rigid monolith capable of being formed to near-net-shape. Separation and purification of gases are effected by means of a controlled pore structure that is developed in the carbon fibers contained in the composite. The open, permeable structure allows the free flow of gases through the monolith accompanied by high rates of adsorption. By modification of the pore structure and bulk density the composite can be rendered suitable for applications such as gas storage, catalysis, and liquid phase processing.

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

Hong, Tao; Chatterjee, Sabornie; Mahurin, Shannon M.

Amidoxime-functionalized polydimethylsiloxane (AO-PDMSPNB) membranes with various amidoxime compositions were synthesized via ring-opening metathesis polymerization followed by post-polymerization modification. Compared to other previously reported PDMS-based membranes, the amidoxime-functionalized membranes show enhanced CO 2 permeability and CO 2/N 2 selectivity. The overall gas separation performance (CO 2 permeability 6800 Barrer; CO 2/N 2 selectivity 19) of the highest performing membrane exceeds the Robeson upper bound line, and the excellent permeability of the copolymer itself provides great potential for real world applications where huge volumes of gases are separated. This study details how tuning the CO 2-philicity within rubbery polymer matrices influences gasmore » transport properties. Key parameters for tuning gas transport properties are discussed, and the experimental results show good consistency with theoretical calculations. Finally, this study provides a roadmap to enhancing gas separation performance in rubbery polymers by tuning gas solubility selectivity.« less

Investigation of compaction and permeability during the out-of-autoclave and vacuum-bag-only manufacturing of a laminate composite with aligned carbon nanofibers

NASA Astrophysics Data System (ADS)

Mann, Erin

Both industry and commercial entities are in the process of using more lightweight composites. Fillers, such as fibers, nanofibers and other nanoconstituents in polymer matrix composites have been proven to enhance the properties of composites and are still being studied in order to optimize the benefits. Further optimization can be studied during the manufacturing process. The air permeability during the out-of-autoclave-vacuum-bag-only (OOA-VBO) cure method is an important property to understand during the optimization of manufacturing processes. Changes in the manufacturing process can improve or decrease composite quality depending on the ability of the composite to evacuate gases such as air and moisture during curing. Therefore, in this study, the axial permeability of a prepreg stack was experimentally studied. Three types of samples were studied: control (no carbon nanofiber (CNF) modification), unaligned CNF modified and aligned CNF modified samples.

Real-time Measurement of Epithelial Barrier Permeability in Human Intestinal Organoids.

PubMed

Hill, David R; Huang, Sha; Tsai, Yu-Hwai; Spence, Jason R; Young, Vincent B

2017-12-18

Advances in 3D culture of intestinal tissues obtained through biopsy or generated from pluripotent stem cells via directed differentiation, have resulted in sophisticated in vitro models of the intestinal mucosa. Leveraging these emerging model systems will require adaptation of tools and techniques developed for 2D culture systems and animals. Here, we describe a technique for measuring epithelial barrier permeability in human intestinal organoids in real-time. This is accomplished by microinjection of fluorescently-labeled dextran and imaging on an inverted microscope fitted with epifluorescent filters. Real-time measurement of the barrier permeability in intestinal organoids facilitates the generation of high-resolution temporal data in human intestinal epithelial tissue, although this technique can also be applied to fixed timepoint imaging approaches. This protocol is readily adaptable for the measurement of epithelial barrier permeability following exposure to pharmacologic agents, bacterial products or toxins, or live microorganisms. With minor modifications, this protocol can also serve as a general primer on microinjection of intestinal organoids and users may choose to supplement this protocol with additional or alternative downstream applications following microinjection.

Unified pipe network method for simulation of water flow in fractured porous rock

NASA Astrophysics Data System (ADS)

Ren, Feng; Ma, Guowei; Wang, Yang; Li, Tuo; Zhu, Hehua

2017-04-01

Rock masses are often conceptualized as dual-permeability media containing fractures or fracture networks with high permeability and porous matrix that is less permeable. In order to overcome the difficulties in simulating fluid flow in a highly discontinuous dual-permeability medium, an effective unified pipe network method is developed, which discretizes the dual-permeability rock mass into a virtual pipe network system. It includes fracture pipe networks and matrix pipe networks. They are constructed separately based on equivalent flow models in a representative area or volume by taking the advantage of the orthogonality of the mesh partition. Numerical examples of fluid flow in 2-D and 3-D domain including porous media and fractured porous media are presented to demonstrate the accuracy, robustness, and effectiveness of the proposed unified pipe network method. Results show that the developed method has good performance even with highly distorted mesh. Water recharge into the fractured rock mass with complex fracture network is studied. It has been found in this case that the effect of aperture change on the water recharge rate is more significant in the early stage compared to the fracture density change.

Interaction between Proppant Packing, Reservoir Depletion, and Fluid Flow in Pore Space

NASA Astrophysics Data System (ADS)

Fan, M.; McClure, J. E.; Han, Y.; Chen, C.

2016-12-01

In the oil and gas industry, the performance of proppant pack in hydraulically created fractures has a significant influence on fracture conductivity. A better understanding of proppant transport and deposition pattern in a hydraulic fracture is vital for effective and economical production within oil and gas reservoirs. In this research, a numerical modeling approach, combining Particle Flow Code (PFC) and GPU-enhanced lattice Boltzmann simulator (GELBS), is adopted to advance the understanding of the interaction between proppant particle packing, depletion of reservoir formation, and transport of reservoir flow through the pore space. In this numerical work flow, PFC is used to simulate effective stress increase and proppant particle movement and rearrangement under increasing mechanical loading. The pore structure of the proppant pack evolves subsequently and the geometrical data are output for lattice Boltzmann (LB) simulation of proppant pack permeability. Three different proppant packs with fixed particle concentration and 12/18, 16/30, and 20/40 mesh sizes are generated. These proppant packs are compressed with specified loading stress and their subsequent geometries are used for fluid flow simulations. The simulation results are in good agreement with experimental observations, e.g., the conductivity of proppant packs decreases with increasing effective stress. Three proppant packs with the same average diameter were generated using different coefficients of variation (COVs) for the proppant diameter (namely cov5%, cov20%, and cov30%). By using the coupled PFC-LBM work flow, the proppant pack permeability as functions of effective stress and porosity is investigated. The results show that the proppant pack with a higher proppant diameter COV has lower permeability and porosity under the same effective stress, because smaller particles fill in the pore space between bigger particles. The relationship between porosity and permeability is also consistent with the Kozeny-Carman equation. In addition, relative permeability curves are obtained using multiphase LB simulation to study non-wetting phase trapping, which will benefit production forecasting and interpretation of formation damage. This research provides an advantageous alternative to expensive laboratory experiments.

Multiphase flow of carbon dioxide and brine in dual porosity carbonates

NASA Astrophysics Data System (ADS)

Pentland, Christopher; Oedai, Sjaam; Ott, Holger

2014-05-01

The storage of carbon dioxide in subsurface formations presents a challenge in terms of multiphase flow characterisation. Project planning requires an understanding of multiphase flow characteristics such as the relationship between relative permeability and saturation. At present there are only a limited number of relative permeability relations for carbon dioxide-brine fluid systems, most of which are measured on sandstone rocks. In this study coreflood experiments are performed to investigate the relative permeability of carbon dioxide and brine in two dual porosity carbonate systems. Carbon dioxide is injected into the brine saturated rocks in a primary drainage process. The rock fluid system is pre-equilibrated to avoid chemical reactions and physical mass transfer between phases. The pressure drop across the samples, the amount of brine displaced and the saturation distribution within the rocks are measured. The experiments are repeated on the same rocks for the decane-brine fluid system. The experimental data is interpreted by simulating the experiments with a continuum scale Darcy solver. Selected functional representations of relative permeability are investigated, the parameters of which are chosen such that a least squares objective function is minimised (i.e. the difference between experimental observations and simulated response). The match between simulation and measurement is dependent upon the form of the functional representations. The best agreement is achieved with the Corey [Brooks and Corey, 1964] or modified Corey [Masalmeh et al., 2007] functions which best represent the relative permeability of brine at low brine saturations. The relative permeability of carbon dioxide is shown to be lower than the relative permeability of decane over the saturation ranges investigated. The relative permeability of the brine phase is comparable for the two fluid systems. These observations are consistent with the rocks being water-wet. During the experiment only a portion of the full saturation range is investigated, corresponding to carbon dioxide entering the macro pores of the dual porosity systems. Within this pore space the relative permeability behaviour is comparable to that measured in Berea sandstone. Brooks, R. H., and A. T. Corey (1964), Hydraulic properties of porous media, Hydrology Papers 3, Civil Engineering Dept., Colorado State Univ., Fort Collins, CO. Masalmeh, S., I. Abu-Shiekah, and X. Jing (2007), Improved Characterization and Modeling of Capillary Transition Zones in Carbonate Reservoirs, SPE Reserv. Eval. Eng., 10(2), doi:10.2118/109094-PA.

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.

Heterogeneous polymer modification: Polyolefin maleation in supercritical carbon dioxide and amorphous fluoropolymer surface modification

NASA Astrophysics Data System (ADS)

Hayes, Heather J.

1999-11-01

Three distinct heterogeneous polymer modification reactions are explored in this work. The first is a bulk reaction commonly conducted on polyolefins---the free radical addition of maleic anhydride. This reaction was run using supercritical carbon dioxide (SC CO2) as the solvent. The second was the chemical surface modification of an amorphous fluorocopolymer of tetrafluoroethylene and a perfluorodioxole monomer (Teflon AF). Several reactions were explored to reduce the surface of the fluorocopolymer for the enhancement of wettability. The last modification was also on Teflon AF and involved the physical modification of the surface through the transport polymerization of xylylene in order to synthesize a novel bilayer membrane. The bulk maleation of poly-4-methyl-1-pentene (PMP) was the focus of the first project. SC CO2 was utilized as both solvent and swelling agent to promote this heterogeneous reaction and led to successful grafting of anhydride groups on both PMP and linear low density polyethylene. Varying the reaction conditions and reagent concentrations allowed optimization of the reaction. The grafted anhydride units were found to exist as single maleic and succinic grafts, and the PMP became crosslinked upon maleation. The surface of a fluoropolymer can be difficult to alter. An examination of three reactions was made to determine the reactivity of Teflon AF: sodium naphthalenide treatment (Na-Nap), aluminum metal modification through deposition and dissolution, and mercury/ammonia photosensitization. The fluorocopolymer with the lower perfluorodioxole percentage was found to be more reactive towards modification with the Na-Nap treatment. The other modification reactions appeared to be nearly equally reactive toward both fluorocopolymers. The functionality of the Na-Nap-treated surface was examined in detail with the use of several derivatization reactions. In the final project, an asymmetric gas separation membrane was synthesized using Teflon AF as the highly permeable support layer and chemical vapor deposited poly(p-xylylene) (PPX) as the thin selective layer. This bilayer membrane has oxygen and nitrogen permeability values close to those predicted by the series resistance model. To enhance the weak adhesive bond between Teflon AF and PPX, Na-Nap reduction was used to modify the Teflon AF surface prior to the vapor deposition polymerization of di-p-xylylene monomer.

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.

Time-Dependent Influence of Cell Membrane Permeability on MR Diffusion Measurements

PubMed Central

Li, Hua; Jiang, Xiaoyu; Xie, Jingping; McIntyre, J. Oliver; Gore, John C.; Xu, Junzhong

2015-01-01

Purpose To investigate the influence of cell membrane permeability on diffusion measurements over a broad range of diffusion times. Methods Human myelogenous leukemia K562 cells were cultured and treated with saponin to selectively alter cell membrane permeability, resulting in a broad physiologically relevant range from 0.011 μm/ms to 0.044 μm/ms. Apparent diffusion coefficient (ADC) values were acquired with the effective diffusion time (Δeff) ranging from 0.42 to 3000 ms. Cosine-modulated oscillating gradient spin echo (OGSE) measurements were performed to achieve short Δeff from 0.42 to 5 ms, while stimulated echo acquisitions (STEAM) were used to achieve long Δeff from 11 to 2999 ms. Computer simulations were also performed to support the experimental results. Results Both computer simulations and experiments in vitro showed that the influence of membrane permeability on diffusion MR measurements is highly dependent on the choice of diffusion time, and it is negligible only when the diffusion time is at least one order of magnitude smaller than the intracellular exchange lifetime. Conclusion The influence of cell membrane permeability on the measured ADCs is negligible in OGSE measurements at moderately high frequencies. By contrast, cell membrane permeability has a significant influence on ADC and quantitative diffusion measurements at low frequencies such as those sampled using conventional pulsed gradient methods. PMID:26096552

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

Tunable water desalination across Graphene Oxide Framework membranes

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

Nicolai, Adrien; Sumpter, Bobby G; Meunier, V.

2014-01-01

The performance of graphene oxide framework (GOF) membranes for water desalination is assessed using classical molecular dynamics (MD) simulations. The coupling between water permeability and salt rejection GOF membranes is studied as a function of linker concentration n, thickness h and applied pressure DP. The simulations reveal that water permeability in GOF-(n,h) membranes can be tuned from 5 (n = 32 and h = 6.5 nm) to 400 L/cm2/day/MPa (n = 64 and h = 2.5 nm) and follows the law Cnh an . For a given pore size (n = 16 or 32), water permeability of GOF membranes increasesmore » when the pore spacing decreases, whereas for a given pore spacing (n = 32 or 64), water permeability increases by up to two orders of magnitude when the pore size increases. Furthermore, for linker concentrations n 32, the high water permeability corresponds to a 100% salt rejection, elevating this type of GOF membrane as an ideal candidate for water desalination. Compared to experimental performance of reverse osmosis membranes, our calculations suggest that under the same conditions of applied pressure and characteristics of membranes (DP 10 MPa and h 100 nm), one can expect a perfect salt rejection coupled to a water permeability two orders of magnitude higher than existing technologies, i.e., from a few cL/cm2/day/MPa to a few L/cm2/day/MPa.« less

Dual permeability flow behavior for modeling horizontal well production in fractured-vuggy carbonate reservoirs

NASA Astrophysics Data System (ADS)

Guo, Jian-Chun; Nie, Ren-Shi; Jia, Yong-Lu

2012-09-01

SummaryFractured-vuggy carbonate reservoirs are composed of by matrix, fracture, and vug systems. This paper is the first investigation into the dual permeability flow issue for horizontal well production in a fractured-vuggy carbonate reservoir. Considering dispersed vugs in carbonate reservoirs and treating media directly connected with horizontal wellbore as the matrix and fracture systems, a test analysis model of a horizontal well was created, and triple porosity and dual permeability flow behavior were modeled. Standard log-log type curves were drawn up by numerical simulation and flow behavior characteristics were thoroughly analyzed. Numerical simulations showed that type curves are dominated by external boundary conditions as well as the permeability ratio of the fracture system to the sum of fracture and matrix systems. The parameter κ is only relevant to the dual permeability model, and if κ is one, then the dual permeability model is equivalent to the single permeability model. There are seven main flow regimes with constant rate of horizontal well production and five flow regimes with constant wellbore pressure of horizontal well production; different flow regimes have different flow behavior characteristics. Early radial flow and linear flow regimes are typical characteristics of horizontal well production; duration of early radial flow regime is usually short because formation thickness is generally less than 100 m. Derivative curves are W-shaped, which is a reflection of inter-porosity flows between matrix, fracture, and vug systems. A distorted W-shape, which could be produced in certain situations, such as one involving an erroneously low time of inter-porosity flows, would handicap the recognition of a linear flow regime. A real case application was successfully implemented, and some useful reservoir parameters (e.g., permeability and inter-porosity flow factor) were obtained from well testing interpretation.

Reactive transport under stress: Permeability evolution by chemo-mechanical deformation

NASA Astrophysics Data System (ADS)

Roded, R.; Holtzman, R.

2017-12-01

The transport of reactive fluids in porous media is important in many natural and engineering processes. Reaction with the solid matrix—e.g. dissolution—changes the transport properties, which in turn affect the rate of reagent transport and hence the reaction. The importance of this highly nonlinear problem has motivated intensive research. Specifically, there have been numerous studies concerning the permeability evolution, especially the process of "wormholing", where preferential dissolution of the most conductive regions leads to a runaway permeability increase. Much less attention, however, has been given to the effect of geomechanics; that is, how the fact that the medium is under stress changes the permeability evolution. Here, we present a novel, mechanistic pore-scale model, simulating the interplay between pore opening by matrix dissolution and pore closure by mechanical compaction, facilitated by weakening caused by the very same process of dissolution. We combine a pore network model of reactive transport with a block-spring model that captures the effect of geomechanics through the update of the network properties. Our simulations show that permeability enhancement is inhibited by stress concentration downstream, in the less dissolved (hence stiffer) regions. Higher stresses lead to stronger inhibition, in agreement with experiments. The effect of stress also depends on the Damkohler number (Da)—the ratio between the flow and the reaction rate. At rapid injection (small Da), where dissolution is relatively uniform, stress has a significant effect on permeability. At slower flow rates (high Da, wormholing regime), stress affects the permeability evolution mostly in early stages, with a much smaller effect on the injected volume required for a significant permeability increase (breakthrough) than at low Da. Interestingly, at higher Da, stress concentration downstream induced by the more heterogeneous dissolution leads to a more homogeneous reagent transport, promoting wormhole competition.

Coupled thermal–hydrological–mechanical modeling of CO 2 -enhanced coalbed methane recovery

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

Ma, Tianran; Rutqvist, Jonny; Oldenburg, Curtis M.

CO 2 -enhanced coalbed methane recovery, also known as CO 2 -ECBM, is a potential win-win approach for enhanced methane production while simultaneously sequestering injected anthropogenic CO 2 to decrease CO 2 emissions into the atmosphere. Here, CO 2 -ECBM is simulated using a coupled thermal–hydrological–mechanical (THM) numerical model that considers multiphase (gas and water) flow and solubility, multicomponent (CO 2 and CH 4 ) diffusion and adsorption, heat transfer and coal deformation. The coupled model is based on the TOUGH-FLAC simulator, which is applied here for the first time to model CO 2 -ECBM. The capacity of the simulatormore » for modeling methane production is verified by a code-to-code comparison with the general-purpose finite-element solver COMSOL. Then, the TOUGH-FLAC simulator is applied in an isothermal simulation to study the variations in permeability evolution during a CO 2 -ECBM operation while considering four different stress-dependent permeability models that have been implemented into the simulator. Finally, the TOUGH-FLAC simulator is applied in non-isothermal simulations to model THM responses during a CO 2 -ECBM operation.Our simulations show that the permeability evolution, mechanical stress, and deformation are all affected by changes in pressure, temperature and adsorption swelling, with adsorption swelling having the largest effect. The calculated stress changes do not induce any mechanical failure in the coal seam, except near the injection well in one case of a very unfavorable stress field.« less

Coupled thermal–hydrological–mechanical modeling of CO 2 -enhanced coalbed methane recovery

DOE PAGES

Ma, Tianran; Rutqvist, Jonny; Oldenburg, Curtis M.; ...

2017-05-22

CO 2 -enhanced coalbed methane recovery, also known as CO 2 -ECBM, is a potential win-win approach for enhanced methane production while simultaneously sequestering injected anthropogenic CO 2 to decrease CO 2 emissions into the atmosphere. Here, CO 2 -ECBM is simulated using a coupled thermal–hydrological–mechanical (THM) numerical model that considers multiphase (gas and water) flow and solubility, multicomponent (CO 2 and CH 4 ) diffusion and adsorption, heat transfer and coal deformation. The coupled model is based on the TOUGH-FLAC simulator, which is applied here for the first time to model CO 2 -ECBM. The capacity of the simulatormore » for modeling methane production is verified by a code-to-code comparison with the general-purpose finite-element solver COMSOL. Then, the TOUGH-FLAC simulator is applied in an isothermal simulation to study the variations in permeability evolution during a CO 2 -ECBM operation while considering four different stress-dependent permeability models that have been implemented into the simulator. Finally, the TOUGH-FLAC simulator is applied in non-isothermal simulations to model THM responses during a CO 2 -ECBM operation.Our simulations show that the permeability evolution, mechanical stress, and deformation are all affected by changes in pressure, temperature and adsorption swelling, with adsorption swelling having the largest effect. The calculated stress changes do not induce any mechanical failure in the coal seam, except near the injection well in one case of a very unfavorable stress field.« less

Visceral adipose tissue and leptin increase colonic epithelial tight junction permeability via a RhoA-ROCK-dependent pathway.

PubMed

Le Dréan, Gwenola; Haure-Mirande, Vianney; Ferrier, Laurent; Bonnet, Christian; Hulin, Philippe; de Coppet, Pierre; Segain, Jean-Pierre

2014-03-01

Proinflammatory cytokines produced by immune cells play a central role in the increased intestinal epithelial permeability during inflammation. Expansion of visceral adipose tissue (VAT) is currently considered a consequence of intestinal inflammation. Whether VAT per se plays a role in early modifications of intestinal barrier remains unknown. The aim of this study was to demonstrate the direct role of adipocytes in regulating paracellular permeability of colonic epithelial cells (CECs). We show in adult rats born with intrauterine growth retardation, a model of VAT hypertrophy, and in rats with VAT graft on the colon, that colonic permeability was increased without any inflammation. This effect was associated with altered expression of tight junction (TJ) proteins occludin and ZO-1. In coculture experiments, adipocytes decreased transepithelial resistance (TER) of Caco-2 CECs and induced a disorganization of ZO-1 on TJs. Intraperitoneal administration of leptin to lean rats increased colonic epithelial permeability and altered ZO-1 expression and organization. Treatment of HT29-19A CECs with leptin, but not adiponectin, dose-dependently decreased TER and altered TJ and F-actin cytoskeleton organization through a RhoA-ROCK-dependent pathway. Our data show that adipocytes and leptin directly alter TJ function in CECs and suggest that VAT could impair colonic epithelial barrier.

The Permeability Enhancing Mechanism of DMSO in Ceramide Bilayers Simulated by Molecular Dynamics

PubMed Central

Notman, Rebecca; den Otter, Wouter K.; Noro, Massimo G.; Briels, W. J.; Anwar, Jamshed

2007-01-01

The lipids of the topmost layer of the skin, the stratum corneum, represent the primary barrier to molecules penetrating the skin. One approach to overcoming this barrier for the purpose of delivery of active molecules into or via the skin is to employ chemical permeability enhancers, such as dimethylsulfoxide (DMSO). How these molecules exert their effect at the molecular level is not understood. We have investigated the interaction of DMSO with gel-phase bilayers of ceramide 2, the predominant lipid in the stratum corneum, by means of molecular dynamics simulations. The simulations satisfactorily reproduce the phase behavior and the known structural parameters of ceramide 2 bilayers in water. The effect of DMSO on the gel-phase bilayers was investigated at various concentrations over the range 0.0−0.6 mol fraction DMSO. The DMSO molecules accumulate in the headgroup region and weaken the lateral forces between the ceramides. At high concentrations of DMSO (≥0.4 mol fraction), the ceramide bilayers undergo a phase transition from the gel phase to the liquid crystalline phase. The liquid-crystalline phase of ceramides is expected to be markedly more permeable to solutes than the gel phase. The results are consistent with the experimental evidence that high concentrations of DMSO fluidize the stratum corneum lipids and enhance permeability. PMID:17513383

Nanoscale simulation of shale transport properties using the lattice Boltzmann method: Permeability and diffusivity

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

Chen, Li; Zhang, Lei; Kang, Qinjun

Here, porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsicmore » permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. We find that for the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.« less

Nanoscale simulation of shale transport properties using the lattice Boltzmann method: Permeability and diffusivity

DOE PAGES

Chen, Li; Zhang, Lei; Kang, Qinjun; ...

2015-01-28

Here, porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsicmore » permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. We find that for the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.« less

Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity

PubMed Central

Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S.; Yao, Jun; Tao, Wenquan

2015-01-01

Porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. For the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed. PMID:25627247

Effect of low levels of lipid oxidation on the curvature, dynamics, and permeability of lipid bilayers and their interactions with cationic nanoparticles

NASA Astrophysics Data System (ADS)

Lee, Hwankyu; Malmstadt, Noah

2018-04-01

Lipid bilayers composed of saturated and unsaturated lipids, oxidized lipids, and cholesterol at concentrations of 0–18 mol% oxidized lipid were simulated, showing that the presence of oxidized lipid increases bilayer disorder, curvature, and lateral dynamics at low oxidized-lipid concentrations of 18 mol% or less. The aldehyde terminal of a shortened oxidized-lipid tail tends to interact with water and thus bends toward the bilayer-water interface, in agreement with previous experiments and simulations. In particular, water molecules pass through the oxidized bilayer without pore formation, implying passive permeability. A single nanoparticle, which consists of 300 polystyrene (PS) chains with cationic terminals, added to this bilayer simulation induces negative bilayer curvature and inserts to the bilayer, regardless of the oxidized-lipid concentration. Hydrophobic monomers and cationic terminals of the PS particle interact respectively with lipid tails and headgroups, leading to the wrapping of either lipid monolayer or bilayer along the particle surface. These results indicate that lipid oxidation increases membrane curvature and permeability even at such a low concentration of oxidized lipid, which supports the experimental observations regarding the passive permeability of oxidized bilayer, and also that oxidized lipids of low concentration do not significantly influence the insertion of a cationic PS particle to the bilayer.

Evaluation of permeability and non-Darcy flow in vuggy macroporous limestone aquifer samples with lattice Boltzmann methods

USGS Publications Warehouse

Sukop, Michael C.; Huang, Haibo; Alvarez, Pedro F.; Variano, Evan A.; Cunningham, Kevin J.

2013-01-01

Lattice Boltzmann flow simulations provide a physics-based means of estimating intrinsic permeability from pore structure and accounting for inertial flow that leads to departures from Darcy's law. Simulations were used to compute intrinsic permeability where standard measurement methods may fail and to provide better understanding of departures from Darcy's law under field conditions. Simulations also investigated resolution issues. Computed tomography (CT) images were acquired at 0.8 mm interscan spacing for seven samples characterized by centimeter-scale biogenic vuggy macroporosity from the extremely transmissive sole-source carbonate karst Biscayne aquifer in southeastern Florida. Samples were as large as 0.3 m in length; 7–9 cm-scale-length subsamples were used for lattice Boltzmann computations. Macroporosity of the subsamples was as high as 81%. Matrix porosity was ignored in the simulations. Non-Darcy behavior led to a twofold reduction in apparent hydraulic conductivity as an applied hydraulic gradient increased to levels observed at regional scale within the Biscayne aquifer; larger reductions are expected under higher gradients near wells and canals. Thus, inertial flows and departures from Darcy's law may occur under field conditions. Changes in apparent hydraulic conductivity with changes in head gradient computed with the lattice Boltzmann model closely fit the Darcy-Forchheimer equation allowing estimation of the Forchheimer parameter. CT-scan resolution appeared adequate to capture intrinsic permeability; however, departures from Darcy behavior were less detectable as resolution coarsened.

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

Temperature-dependent changes in erythrocytes' cytosol state during natural and artificial hypobiosis.

PubMed

Repina, S V; Nardid, O A; Marchenko, V S; Shilo, A V

2004-05-01

At present, the question of how the structural state of the erythrocyte cytosol is arranged to maintain essential permeabilities successfully both at normal temperature and during periods with a significant body temperature reduction during hypobiosis remains unanswered. In the present work, we performed comparative investigations of temperature-dependent changes in the cytosol state of erythrocytes from animals subjected to natural (winter hibernating ground squirrels) or artificial hypobiosis. The cytosol state was evaluated by the ESR method of spin probes (TEMPON) within the temperature range of 0-50 degrees C. Erythrocyte resistance to acid hemolysis, which is limited by the permeability of membranes for protons and the state of the anion channel, were determined using the method described by Terskov and Getelson [Biofizika 2 (1957) 259]. A change in cytosol microviscosity of erythrocytes was found as well as a temperature-dependent increase in acid resistance of erythrocytes. Our investigations allow us to conclude that physiological changes occurring in a mammalian organism during natural and artificial hypobiosis are accompanied by structural modifications of the erythrocyte cytosol. The temperature range where these modifications are observed (8, 15, 40 degrees C) suggests that the most probable modifying link is spectrin and/or the sites of its interaction with membrane. The interaction of cytoskeletal components with the cell membrane plays a key role in regulation of membrane permeability, suggesting an important role of this interaction in the adaptive reactions of erythrocytes.

Application of real rock pore-threat statistics to a regular pore network model

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

Rakibul, M.; Sarker, H.; McIntyre, D.

2011-01-01

This work reports the application of real rock statistical data to a previously developed regular pore network model in an attempt to produce an accurate simulation tool with low computational overhead. A core plug from the St. Peter Sandstone formation in Indiana was scanned with a high resolution micro CT scanner. The pore-throat statistics of the three-dimensional reconstructed rock were extracted and the distribution of the pore-throat sizes was applied to the regular pore network model. In order to keep the equivalent model regular, only the throat area or the throat radius was varied. Ten realizations of randomly distributed throatmore » sizes were generated to simulate the drainage process and relative permeability was calculated and compared with the experimentally determined values of the original rock sample. The numerical and experimental procedures are explained in detail and the performance of the model in relation to the experimental data is discussed and analyzed. Petrophysical properties such as relative permeability are important in many applied fields such as production of petroleum fluids, enhanced oil recovery, carbon dioxide sequestration, ground water flow, etc. Relative permeability data are used for a wide range of conventional reservoir engineering calculations and in numerical reservoir simulation. Two-phase oil water relative permeability data are generated on the same core plug from both pore network model and experimental procedure. The shape and size of the relative permeability curves were compared and analyzed and good match has been observed for wetting phase relative permeability but for non-wetting phase, simulation results were found to be deviated from the experimental ones. Efforts to determine petrophysical properties of rocks using numerical techniques are to eliminate the necessity of regular core analysis, which can be time consuming and expensive. So a numerical technique is expected to be fast and to produce reliable results. In applied engineering, sometimes quick result with reasonable accuracy is acceptable than the more time consuming results. Present work is an effort to check the accuracy and validity of a previously developed pore network model for obtaining important petrophysical properties of rocks based on cutting-sized sample data.« less

Application of real rock pore-throat statistics to a regular pore network model

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

Sarker, M.R.; McIntyre, D.; Ferer, M.

2011-01-01

This work reports the application of real rock statistical data to a previously developed regular pore network model in an attempt to produce an accurate simulation tool with low computational overhead. A core plug from the St. Peter Sandstone formation in Indiana was scanned with a high resolution micro CT scanner. The pore-throat statistics of the three-dimensional reconstructed rock were extracted and the distribution of the pore-throat sizes was applied to the regular pore network model. In order to keep the equivalent model regular, only the throat area or the throat radius was varied. Ten realizations of randomly distributed throatmore » sizes were generated to simulate the drainage process and relative permeability was calculated and compared with the experimentally determined values of the original rock sample. The numerical and experimental procedures are explained in detail and the performance of the model in relation to the experimental data is discussed and analyzed. Petrophysical properties such as relative permeability are important in many applied fields such as production of petroleum fluids, enhanced oil recovery, carbon dioxide sequestration, ground water flow, etc. Relative permeability data are used for a wide range of conventional reservoir engineering calculations and in numerical reservoir simulation. Two-phase oil water relative permeability data are generated on the same core plug from both pore network model and experimental procedure. The shape and size of the relative permeability curves were compared and analyzed and good match has been observed for wetting phase relative permeability but for non-wetting phase, simulation results were found to be deviated from the experimental ones. Efforts to determine petrophysical properties of rocks using numerical techniques are to eliminate the necessity of regular core analysis, which can be time consuming and expensive. So a numerical technique is expected to be fast and to produce reliable results. In applied engineering, sometimes quick result with reasonable accuracy is acceptable than the more time consuming results. Present work is an effort to check the accuracy and validity of a previously developed pore network model for obtaining important petrophysical properties of rocks based on cutting-sized sample data. Introduction« less

Measurements of pore-scale flow through apertures

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

Chojnicki, Kirsten

Pore-scale aperture effects on flow in pore networks was studied in the laboratory to provide a parameterization for use in transport models. Four cases were considered: regular and irregular pillar/pore alignment with and without an aperture. The velocity field of each case was measured and simulated, providing quantitatively comparable results. Two aperture effect parameterizations were considered: permeability and transmission. Permeability values varied by an order of magnitude between the cases with and without apertures. However, transmission did not correlate with permeability. Despite having much greater permeability the regular aperture case permitted less transmission than the regular case. Moreover, both irregularmore » cases had greater transmission than the regular cases, a difference not supported by the permeabilities. Overall, these findings suggest that pore-scale aperture effects on flow though a pore-network may not be adequately captured by properties such as permeability for applications that are interested in determining particle transport volume and timing.« less

Systematic Analysis of the Effect of Small Scale Permeability Heterogeneity on Hyporheic Exchange Flux and Residence Times

NASA Astrophysics Data System (ADS)

Laube, G.; Schmidt, C.; Fleckenstein, J. H.

2014-12-01

The hyporheic zone (HZ) contributes significantly to whole stream biogeochemical cycling. Biogeochemical reactions within the HZ are often transport limited, thus, understanding these reactions requires knowledge about the magnitude of hyporheic fluxes (HF) and the residence time (RT) of these fluxes within the HZ. While the hydraulics of HF are relatively well understood, studies addressing the influence of permeability heterogeneity lack systematic analysis and have even produced contradictory results (e.g. [1] vs. [2]). In order to close this gap, this study uses a statistical numerical approach to elucidate the influence of permeability heterogeneity on HF and RT. We simulated and evaluated 3750 2D-scenarios of sediment heterogeneity by means of Gaussian random fields with focus on total HF and RT distribution. The scenarios were based on ten realizations of each of all possible combinations of 15 different correlation lengths, 5 dipping angles and 5 permeability variances. Roughly 500 hyporheic stream traces were analyzed per simulation, for a total of almost two million stream traces analyzed for correlations between permeability heterogeneity, HF, and RT. Total HF and the RT variance positively correlated with permeability variance while the mean RT negatively correlated with permeability variance. In contrast, changes in correlation lengths and dipping angles had little effect on the examined properties RT and HF. These results provide a possible explanation of the seemingly contradictory conclusions of recent studies, given that the permeability variances in these studies differ by several orders of magnitude. [1] Bardini, L., Boano, F., Cardenas, M.B, Sawyer, A.H, Revelli, R. and Ridolfi, L. "Small-Scale Permeability Heterogeneity Has Negligible Effects on Nutrient Cycling in Streambeds." Geophysical Research Letters, 2013. doi:10.1002/grl.50224. [2] Zhou, Y., Ritzi, R. W., Soltanian, M. R. and Dominic, D. F. "The Influence of Streambed Heterogeneity on Hyporheic Flow in Gravelly Rivers." Groundwater, 2013. doi:10.1111/gwat.12048.

Simulation of Groundwater Mounding Beneath Hypothetical Stormwater Infiltration Basins

USGS Publications Warehouse

Carleton, Glen B.

2010-01-01

Groundwater mounding occurs beneath stormwater management structures designed to infiltrate stormwater runoff. Concentrating recharge in a small area can cause groundwater mounding that affects the basements of nearby homes and other structures. Methods for quantitatively predicting the height and extent of groundwater mounding beneath and near stormwater Finite-difference groundwater-flow simulations of infiltration from hypothetical stormwater infiltration structures (which are typically constructed as basins or dry wells) were done for 10-acre and 1-acre developments. Aquifer and stormwater-runoff characteristics in the model were changed to determine which factors are most likely to have the greatest effect on simulating the maximum height and maximum extent of groundwater mounding. Aquifer characteristics that were changed include soil permeability, aquifer thickness, and specific yield. Stormwater-runoff variables that were changed include magnitude of design storm, percentage of impervious area, infiltration-structure depth (maximum depth of standing water), and infiltration-basin shape. Values used for all variables are representative of typical physical conditions and stormwater management designs in New Jersey but do not include all possible values. Results are considered to be a representative, but not all-inclusive, subset of likely results. Maximum heights of simulated groundwater mounds beneath stormwater infiltration structures are the most sensitive to (show the greatest change with changes to) soil permeability. The maximum height of the groundwater mound is higher when values of soil permeability, aquifer thickness, or specific yield are decreased or when basin depth is increased or the basin shape is square (and values of other variables are held constant). Changing soil permeability, aquifer thickness, specific yield, infiltration-structure depth, or infiltration-structure shape does not change the volume of water infiltrated, it changes the shape or height of the groundwater mound resulting from the infiltration. An aquifer with a greater soil permeability or aquifer thickness has an increased ability to transmit water away from the source of infiltration than aquifers with lower soil permeability; therefore, the maximum height of the groundwater mound will be lower, and the areal extent of mounding will be larger. The maximum height of groundwater mounding is higher when values of design storm magnitude or percentage of impervious cover (from which runoff is captured) are increased (and other variables are held constant) because the total volume of water to be infiltrated is larger. The larger the volume of infiltrated water the higher the head required to move that water away from the source of recharge if the physical characteristics of the aquifer are unchanged. The areal extent of groundwater mounding increases when soil permeability, aquifer thickness, design-storm magnitude, or percentage of impervious cover are increased (and values of other variables are held constant). For 10-acre sites, the maximum heights of the simulated groundwater mound range from 0.1 to 18.5 feet (ft). The median of the maximum-height distribution from 576 simulations is 1.8 ft. The maximum areal extent (measured from the edge of the infiltration basins) of groundwater mounding of 0.25-ft ranges from 0 to 300 ft with a median of 51 ft for 576 simulations. Stormwater infiltration at a 1-acre development was simulated, incorporating the assumption that the hypothetical infiltration structure would be a pre-cast concrete dry well having side openings and an open bottom. The maximum heights of the simulated groundwater-mounds range from 0.01 to 14.0 ft. The median of the maximum-height distribution from 432 simulations is 1.0 ft. The maximum areal extent of groundwater mounding of 0.25-ft ranges from 0 to 100 ft with a median of 10 ft for 432 simulations. Simulated height and extent of groundwater mounding associ

Passive advection-dispersion in networks of pipes: Effect of connectivity and relationship to permeability

NASA Astrophysics Data System (ADS)

Bernabé, Y.; Wang, Y.; Qi, T.; Li, M.

2016-02-01

The main purpose of this work is to investigate the relationship between passive advection-dispersion and permeability in porous materials presumed to be statistically homogeneous at scales larger than the pore scale but smaller than the reservoir scale. We simulated fluid flow through pipe network realizations with different pipe radius distributions and different levels of connectivity. The flow simulations used periodic boundary conditions, allowing monitoring of the advective motion of solute particles in a large periodic array of identical network realizations. In order to simulate dispersion, we assumed that the solute particles obeyed Taylor dispersion in individual pipes. When a particle entered a pipe, a residence time consistent with local Taylor dispersion was randomly assigned to it. When exiting the pipe, the particle randomly proceeded into one of the pipes connected to the original one according to probabilities proportional to the outgoing volumetric flow in each pipe. For each simulation we tracked the motion of at least 6000 solute particles. The mean fluid velocity was 10-3 ms-1, and the distance traveled was on the order of 10 m. Macroscopic dispersion was quantified using the method of moments. Despite differences arising from using different types of lattices (simple cubic, body-centered cubic, and face-centered cubic), a number of general observations were made. Longitudinal dispersion was at least 1 order of magnitude greater than transverse dispersion, and both strongly increased with decreasing pore connectivity and/or pore size variability. In conditions of variable hydraulic radius and fixed pore connectivity and pore size variability, the simulated dispersivities increased as power laws of the hydraulic radius and, consequently, of permeability, in agreement with previously published experimental results. Based on these observations, we were able to resolve some of the complexity of the relationship between dispersivity and permeability.

Effects of rock mineralogy and pore structure on stress-dependent permeability of shale samples

PubMed Central

Al Ismail, Maytham I.; Zoback, Mark D.

2016-01-01

We conducted pulse-decay permeability experiments on Utica and Permian shale samples to investigate the effect of rock mineralogy and pore structure on the transport mechanisms using a non-adsorbing gas (argon). The mineralogy of the shale samples varied from clay rich to calcite rich (i.e. clay poor). Our permeability measurements and scanning electron microscopy images revealed that the permeability of the shale samples whose pores resided in the kerogen positively correlated with organic content. Our results showed that the absolute value of permeability was not affected by the mineral composition of the shale samples. Additionally, our results indicated that clay content played a significant role in the stress-dependent permeability. For clay-rich samples, we observed higher pore throat compressibility, which led to higher permeability reduction at increasing effective stress than with calcite-rich samples. Our findings highlight the importance of considering permeability to be stress dependent to achieve more accurate reservoir simulations especially for clay-rich shale reservoirs. This article is part of the themed issue ‘Energy and the subsurface’. PMID:27597792

Guide to the Revised Ground-Water Flow and Heat Transport Simulator: HYDROTHERM - Version 3

USGS Publications Warehouse

Kipp, Kenneth L.; Hsieh, Paul A.; Charlton, Scott R.

2008-01-01

The HYDROTHERM computer program simulates multi-phase ground-water flow and associated thermal energy transport in three dimensions. It can handle high fluid pressures, up to 1 ? 109 pascals (104 atmospheres), and high temperatures, up to 1,200 degrees Celsius. This report documents the release of Version 3, which includes various additions, modifications, and corrections that have been made to the original simulator. Primary changes to the simulator include: (1) the ability to simulate unconfined ground-water flow, (2) a precipitation-recharge boundary condition, (3) a seepage-surface boundary condition at the land surface, (4) the removal of the limitation that a specified-pressure boundary also have a specified temperature, (5) a new iterative solver for the linear equations based on a generalized minimum-residual method, (6) the ability to use time- or depth-dependent functions for permeability, (7) the conversion of the program code to Fortran 90 to employ dynamic allocation of arrays, and (8) the incorporation of a graphical user interface (GUI) for input and output. The graphical user interface has been developed for defining a simulation, running the HYDROTHERM simulator interactively, and displaying the results. The combination of the graphical user interface and the HYDROTHERM simulator forms the HYDROTHERM INTERACTIVE (HTI) program. HTI can be used for two-dimensional simulations only. New features in Version 3 of the HYDROTHERM simulator have been verified using four test problems. Three problems come from the published literature and one problem was simulated by another partially saturated flow and thermal transport simulator. The test problems include: transient partially saturated vertical infiltration, transient one-dimensional horizontal infiltration, two-dimensional steady-state drainage with a seepage surface, and two-dimensional drainage with coupled heat transport. An example application to a hypothetical stratovolcano system with unconfined ground-water flow is presented in detail. It illustrates the use of HTI with the combination precipitation-recharge and seepage-surface boundary condition, and functions as a tutorial example problem for the new user.

Erosion Dynamics during Phoenix Landing on Mars

NASA Astrophysics Data System (ADS)

Mehta, M.; Renno, N. O.; Grover, R. M.; Sengupta, A.

2008-12-01

Unique from past planetary surface missions, the Phoenix spacecraft used pulsed retro-rockets to land on the northern polar region of Mars. Mainly viscous shear erosion caused by descent jets had minimally altered previous landing sites. Here we report novel simulations of surface modification by pulsed thruster plumes, and assess the erosion processes leading to the first exposure of ice below the Martian regolith. At Mars atmospheric pressure, we find that the repetitive injection of high pressure gas into porous soil by the pulsed engines leads to the propagation of cyclic radial shock waves within the soil. We show that these shock waves cause 'explosive erosion' and excavate the regolith down to the ice table in a radius of ~75 cm under the lander. Moreover, coarse and fine particles are ejected outward to a radius of 3 m and ~20 m from the thrusters, respectively. The results of our simulations are confirmed by images of the Phoenix landing site and provide important insights into the geology, glaciology and geomorphology of the landing site. These erosion dynamics may lead to ammonia hydrates and ammonium salts, but may demonstrate limited soil contamination. By comparing results from the landing site and our simulations, we come to the initial conclusions that the Martian arctic regolith has high porosity and permeability, mixture of fines with coarse particles, and exhibit cohesive stresses greater than 0.9 kPa.

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 new structure of permeable pavement for mitigating urban heat island.

PubMed

Liu, Yong; Li, Tian; Peng, Hangyu

2018-09-01

The urban heat island (UHI) effect has been a great threat to human habitation, and how to mitigate this problem has been a global concern over decades. This paper addresses the cooling effect of a novel permeable pavement called evaporation-enhancing permeable pavement, which has capillary columns in aggregate and a liner at the bottom. To explore the efficiency of mitigating the UHI, bench-scale permeable pavement units with capillary columns were developed and compared with conventional permeable pavement. Criteria of capillary capacities of the column, evaporation rates, and surface temperature of the pavements were monitored under simulated rainfall and Shanghai local weather conditions. Results show the capillary column was important in increasing evaporation by lifting water from the bottom to the surface, and the evaporation-enhancing permeable pavement was cooler than a conventional permeable pavement by as much as 9.4°C during the experimental period. Moreover, the cooling effect of the former pavement could persist more than seven days under the condition of no further rainfall. Statistical analysis result reveals that evaporation-enhancing permeable pavement can mitigate the UHI effect significantly more than a conventional permeable pavement. Copyright © 2018 Elsevier B.V. All rights reserved.

An updated model of induced airflow in the unsaturated zone

USGS Publications Warehouse

Baehr, Arthur L.; Joss, Craig J.

1995-01-01

Simulation of induced movement of air in the unsaturated zone provides a method to determine permeability and to design vapor extraction remediation systems. A previously published solution to the airflow equation for the case in which the unsaturated zone is separated from the atmosphere by a layer of lower permeability (such as a clay layer) has been superseded. The new solution simulates airflow through the layer of lower permeability more rigorously by defining the leakage in terms of the upper boundary condition rather than by adding a leakage term to the governing airflow equation. This note presents the derivation of the new solution. Formulas for steady state pressure, specific discharge, and mass flow in the domain are obtained for the new model and for the case in which the unsaturated zone is in direct contact with the atmosphere.

Morphologic and Aerodynamic Considerations Regarding the Plumed Seeds of Tragopogon pratensis and Their Implications for Seed Dispersal.

PubMed

Casseau, Vincent; De Croon, Guido; Izzo, Dario; Pandolfi, Camilla

2015-01-01

Tragopogon pratensis is a small herbaceous plant that uses wind as the dispersal vector for its seeds. The seeds are attached to parachutes that increase the aerodynamic drag force and increase the total distance travelled. Our hypothesis is that evolution has carefully tuned the air permeability of the seeds to operate in the most convenient fluid dynamic regime. To achieve final permeability, the primary and secondary fibres of the pappus have evolved with complex weaving; this maximises the drag force (i.e., the drag coefficient), and the pappus operates in an "optimal" state. We used computational fluid dynamics (CFD) simulations to compute the seed drag coefficient and compare it with data obtained from drop experiments. The permeability of the parachute was estimated from microscope images. Our simulations reveal three flow regimes in which the parachute can operate according to its permeability. These flow regimes impact the stability of the parachute and its drag coefficient. From the permeability measurements and drop experiments, we show how the seeds operate very close to the optimal case. The porosity of the textile appears to be an appropriate solution to achieve a lightweight structure that allows a low terminal velocity, a stable flight and a very efficient parachute for the velocity at which it operates.

Morphologic and Aerodynamic Considerations Regarding the Plumed Seeds of Tragopogon pratensis and Their Implications for Seed Dispersal

PubMed Central

2015-01-01

Tragopogon pratensis is a small herbaceous plant that uses wind as the dispersal vector for its seeds. The seeds are attached to parachutes that increase the aerodynamic drag force and increase the total distance travelled. Our hypothesis is that evolution has carefully tuned the air permeability of the seeds to operate in the most convenient fluid dynamic regime. To achieve final permeability, the primary and secondary fibres of the pappus have evolved with complex weaving; this maximises the drag force (i.e., the drag coefficient), and the pappus operates in an “optimal” state. We used computational fluid dynamics (CFD) simulations to compute the seed drag coefficient and compare it with data obtained from drop experiments. The permeability of the parachute was estimated from microscope images. Our simulations reveal three flow regimes in which the parachute can operate according to its permeability. These flow regimes impact the stability of the parachute and its drag coefficient. From the permeability measurements and drop experiments, we show how the seeds operate very close to the optimal case. The porosity of the textile appears to be an appropriate solution to achieve a lightweight structure that allows a low terminal velocity, a stable flight and a very efficient parachute for the velocity at which it operates. PMID:25938765

Numerical Simulation of Permeability Change in Wellbore Cement Fractures after Geomechanical Stress and Geochemical Reactions Using X-ray Computed Tomography Imaging.

PubMed

Kabilan, Senthil; Jung, Hun Bok; Kuprat, Andrew P; Beck, Anthon N; Varga, Tamas; Fernandez, Carlos A; Um, Wooyong

2016-06-21

X-ray microtomography (XMT) imaging combined with three-dimensional (3D) computational fluid dynamics (CFD) modeling technique was used to study the effect of geochemical and geomechanical processes on fracture permeability in composite Portland cement-basalt caprock core samples. The effect of fluid density and viscosity and two different pressure gradient conditions on fracture permeability was numerically studied by using fluids with varying density and viscosity and simulating two different pressure gradient conditions. After the application of geomechanical stress but before CO2-reaction, CFD revealed fluid flow increase, which resulted in increased fracture permeability. After CO2-reaction, XMT images displayed preferential precipitation of calcium carbonate within the fractures in the cement matrix and less precipitation in fractures located at the cement-basalt interface. CFD estimated changes in flow profile and differences in absolute values of flow velocity due to different pressure gradients. CFD was able to highlight the profound effect of fluid viscosity on velocity profile and fracture permeability. This study demonstrates the applicability of XMT imaging and CFD as powerful tools for characterizing the hydraulic properties of fractures in a number of applications like geologic carbon sequestration and storage, hydraulic fracturing for shale gas production, and enhanced geothermal systems.

Estimating natural recharge in San Gorgonio Pass watersheds, California, 1913–2012

USGS Publications Warehouse

Hevesi, Joseph A.; Christensen, Allen H.

2015-12-21

The SGPWM was used to simulate a 100-year water budget, including recharge and runoff, for water years 1913 through 2012. Results indicated that most recharge came from episodic infiltration of surface-water runoff in the larger stream channels. Results also indicated periods of great variability in recharge and runoff in response to variability in precipitation. More recharge was simulated for the area of the groundwater basin underlying the more permeable alluvial fill of the valley floor compared to recharge in the neighboring upland areas of the less permeable mountain blocks. The greater recharge was in response to the episodic streamflow that discharged from the mountain block areas and quickly infiltrated the permeable alluvial fill of the groundwater basin. Although precipitation at the higher altitudes of the mountain block was more than double precipitation at the lower altitudes of the valley floor, recharge for inter-channel areas of the mountain block was limited by the lower permeability bedrock underlying the thin soil cover, and most of the recharge in the mountain block was limited to the main stream channels underlain by alluvial fill.

Lesion dehydration rate changes with the surface layer thickness during enamel remineralization

NASA Astrophysics Data System (ADS)

Chang, Nai-Yuan N.; Jew, Jamison M.; Fried, Daniel

2018-02-01

A transparent highly mineralized outer surface zone is formed on caries lesions during remineralization that reduces the permeability to water and plaque generated acids. However, it has not been established how thick the surface zone should be to inhibit the penetration of these fluids. Near-IR (NIR) reflectance coupled with dehydration can be used to measure changes in the fluid permeability of lesions in enamel and dentin. Based on our previous studies, we postulate that there is a strong correlation between the surface layer thickness and the rate of dehydration. In this study, the rates of dehydration for simulated lesions in enamel with varying remineralization durations were measured. Reflectance imaging at NIR wavelengths from 1400-2300 nm, which coincides with higher water absorption and manifests the greatest sensitivity to contrast changes during dehydration measurements, was used to image simulated enamel lesions. The results suggest that the relationship between surface zone thickness and lesion permeability is highly non-linear, and that a small increase in the surface layer thickness may lead to a significant decrease in permeability.

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

A computational assessment of the permeability and salt rejection of carbon nanotube membranes and their application to water desalination

PubMed Central

Thomas, Michael; Corry, Ben

2016-01-01

Membranes made from nanomaterials such as nanotubes and graphene have been suggested to have a range of applications in water filtration and desalination, but determining their suitability for these purposes requires an accurate assessment of the properties of these novel materials. In this study, we use molecular dynamics simulations to determine the permeability and salt rejection capabilities for membranes incorporating carbon nanotubes (CNTs) at a range of pore sizes, pressures and concentrations. We include the influence of osmotic gradients and concentration build up and simulate at realistic pressures to improve the reliability of estimated membrane transport properties. We find that salt rejection is highly dependent on the applied hydrostatic pressure, meaning high rejection can be achieved with wider tubes than previously thought; while membrane permeability depends on salt concentration. The ideal size of the CNTs for desalination applications yielding high permeability and high salt rejection is found to be around 1.1 nm diameter. While there are limited energy gains to be achieved in using ultra-permeable CNT membranes in desalination by reverse osmosis, such membranes may allow for smaller plants to be built as is required when size or weight must be minimized. There are diminishing returns in further increasing membrane permeability, so efforts should focus on the fabrication of membranes containing narrow or functionalized CNTs that yield the desired rejection or selection properties rather than trying to optimize pore densities. PMID:26712639

Reaction-Infiltration Instabilities in Fractured and Porous Rocks

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

Ladd, Anthony

In this project we are developing a multiscale analysis of the evolution of fracture permeability, using numerical simulations and linear stability analysis. Our simulations include fully three-dimensional simulations of the fracture topography, fluid flow, and reactant transport, two-dimensional simulations based on aperture models, and linear stability analysis.

Numerical Modeling of Fiber-Reinforced Metal Matrix Composite Processing by the Liquid Route: Literature Contribution

NASA Astrophysics Data System (ADS)

Lacoste, Eric; Arvieu, Corinne; Mantaux, Olivier

2018-04-01

One of the technologies used to produce metal matrix composites (MMCs) is liquid route processing. One solution is to inject a liquid metal under pressure or at constant rate through a fibrous preform. This foundry technique overcomes the problem of the wettability of ceramic fibers by liquid metal. The liquid route can also be used to produce semiproducts by coating a filament with a molten metal. These processes involve physical phenomena combined with mass and heat transfer and phase change. The phase change phenomena related to solidification and also to the melting of the metal during the process notably result in modifications to the permeability of porous media, in gaps in impregnation, in the appearance of defects (porosities), and in segregation in the final product. In this article, we provide a state-of-the-art review of numerical models and simulation developed to study these physical phenomena involved in MMC processing by the liquid route.

Geohydrology and Numerical Simulation of Alternative Pumping Distributions and the Effects of Drought on the Ground-Water Flow System of Tinian, Commonwealth of the Northern Mariana Islands

USGS Publications Warehouse

Gingerich, Stephen B.

2002-01-01

Ground water in a freshwater lens is the main source of freshwater on Tinian, Commonwealth of the Northern Mariana Islands. Four major geologic units make up the island with high-permeability limestone units overlying low-permeability volcanic rocks. Estimates of limestone hydraulic conductivity range from 21 to 23,000 feet per day. Estimates of water-budget components for Tinian are 82 inches per year of rainfall, about 6 inches per year of runoff, 46 inches per year of evapotranspiration, and 30 inches per year of recharge. From 1990?97, ground-water withdrawal from the Municipal well, the major source of water, averaged about 780 gallons per minute. A two-dimensional, steady-state, ground-water flow model using the computer code SHARP was developed for Tinian, to enhance the understanding of (1) the distribution of aquifer hydraulic properties, (2) the conceptual framework of the ground-water flow system, and (3) the effects of various pumping distributions and drought on water levels and the freshwater/saltwater transition zone. For modeling purposes, Tinian was divided into three horizontal hydraulic-conductivity zones: (1) highly permeable limestone, (2) less-permeable, clay-rich limestone, and (3) low-permeability volcanic rocks. The following horizontal hydraulic conductivities were estimated: (1) 10,500 feet per day for the highly permeable limestone, (2) 800 feet per day for the less-permeable clay-rich limestone, and (3) 0.2 foot per day for the volcanic rocks. To estimate the hydrologic effects of different pumping distributions on the aquifer, three different steady-state pumping scenarios were simulated, (1) a scenario with no ground-water pumping, (2) a 2001-pumping scenario, and (3) a maximum-pumping scenario. The results of the no-pumping scenario showed that the freshwater/saltwater interface beneath the Municipal well would be about 7 feet deeper and ground-water discharge to the coast would be higher along both the east and west coasts of the island when compared with 1990-97 pumping conditions. For the maximum pumping scenario, the model-calculated freshwater/saltwater interface is about 7 feet shallower than the position calculated in the base-case scenario. To estimate the hydrologic effects of drought on the freshwater lens, the 2001- and maximum-pumping scenarios were simulated using three combinations of aquifer porosity values covering a range of possible limestone properties. In all scenarios, recharge was reduced to 10 percent of average estimated recharge and the transient response was simulated for 1 year. These simulations demonstrated that the ground-water resource is adequate to withstand a drought similar to that experienced in 1998 using existing infrastructure.

Understanding the Effect of Biomineralization on Subsurface Injection Processes

NASA Astrophysics Data System (ADS)

Zamani, A.; Montoya, B.; Gabr, M.

2017-12-01

Microbial induced calcium carbonate precipitation (MICP) is a natural soil improvement technique. The calcium carbonate cementation increases the soil's shear strength, stiffness, and dilative tendencies; however, it may also reduce the permeability of the soil due to the reduction in pore space. Reduction in permeability can lead to an increase in treatment injection pressures or decrease in injection distance. Therefore, an investigation of the extent of permeability reduction is necessary to understand the effect on in situ injection procedures. A suite of soil column experiments were conducted on clean loose silica sand and loose silty sand (i.e., 15% non-plastic silt) by inducing MICP to incrementally higher levels of biomineralization (e.g., from an untreated state to a moderately cemented state for each soil type). The level of biomineralization was assessed using shear wave velocity measurements. Once the target levels of shear wave velocity were reached, the MICP treatments were terminated, and constant head permeability tests were conducted. The experimental results provided a relationship between permeability reduction and level of biomineralization. Upon completion of the permeability tests, the calcium carbonate minerals were evaluated with scanning electron microscopy and the distribution of cementation along the soil column height was assessed using gravimetric acid washing. The changes in permeability are upscaled towards in situ treatment by evaluating the resulting changes in allowable injection rate and radius of influence due to the MICP implementation by numerically modeling the groundwater flow using the finite element programs Seep/W and Sigma/W. The numerical results indicate the allowable injection rate and radius of influence are affected by both the reduction in permeability and the increase in stiffness from the MICP process. The injection simulations with clean sand indicate the reduction of permeability is overshadowed by the increase in stiffness of the material, and the allowable injection rate can increase as biomineralization occurs. However, the injection simulations with silty sand indicate the increase in stiffness compensates for the reduction in permeability, and allowable injection rate remains constant during the treatment.

Groundwater flow associated with coalbed gas production, Ferron Sandstone, east-central Utah

USGS Publications Warehouse

Anna, L.O.

2003-01-01

The flow and distribution of water associated with coalbed gas production in the Ferron Sandstone was characterized utilizing a discrete fracture network model and a porous media model. A discrete fracture network model calculated fluid flux through volumes of various scales to determine scale effects, directional bulk permeability, and connectivity. The mean directional permeabilities varied by less than a factor of 6, with the northwest-southeast direction (face cleat direction) as the most conductive. Northwest southeast directed hydrofracture simulations increased permeability in all directions except the northeast-southwest, although the permeability increase was not more than a factor of 3. Cluster analysis showed that the simulated cleat network was very well connected at all simulated scales. For thick coals, the entire cleat network formed one compartment, whereas thin coals formed several compartments. Convex hulls of the compartments confirmed that the directional bulk permeability was nearly isotropic. Volumetric calculations of the Ferron coal indicated that all the water produced to date can be accounted for from the coal cleat porosity system and does not depend on contributions of water from contiguous units.Flow paths, determined from porous media modeling from recharge to discharge, indicate that the three coalbed gas (CBG) fields assessed in this study could have different groundwater chemical compositions as confirmed by geochemical data. Simulated water production from 185 wells from 1993 to 1998 showed that in 1998 the maximum head drawdown from the Drunkards Wash field was more than 365 m, and the cone of depression extended to within a short distance of the Ferron outcrop. Maximum drawdown in the Helper field was 120 m, and the maximum drawdown in the Buzzards Bench field was just over 60 m. The cone of depression for the Helper field was half the size of the Drunkards Wash field, and the cone of depression for the Buzzards Bench field was limited to just outside the field unit. Water budget calculations from the simulation indicate that none of the stream flows are affected by coalbed gas associated water production. ?? 2003 Elsevier B.V. All rights reserved.

Post-injection Multiphase Flow Modeling and Risk Assessments for Subsurface CO2 Storage in Naturally Fractured Reservoirs

NASA Astrophysics Data System (ADS)

Jin, G.

2015-12-01

Subsurface storage of carbon dioxide in geological formations is widely regarded as a promising tool for reducing global atmospheric CO2 emissions. Successful geologic storage for sequestrated carbon dioxides must prove to be safe by means of risk assessments including post-injection analysis of injected CO2 plumes. Because fractured reservoirs exhibit a higher degree of heterogeneity, it is imperative to conduct such simulation studies in order to reliably predict the geometric evolution of plumes and risk assessment of post CO2injection. The research has addressed the pressure footprint of CO2 plumes through the development of new techniques which combine discrete fracture network and stochastic continuum modeling of multiphase flow in fractured geologic formations. A subsequent permeability tensor map in 3-D, derived from our preciously developed method, can accurately describe the heterogeneity of fracture reservoirs. A comprehensive workflow integrating the fracture permeability characterization and multiphase flow modeling has been developed to simulate the CO2plume migration and risk assessments. A simulated fractured reservoir model based on high-priority geological carbon sinks in central Alabama has been employed for preliminary study. Discrete fracture networks were generated with an NE-oriented regional fracture set and orthogonal NW-fractures. Fracture permeability characterization revealed high permeability heterogeneity with an order of magnitude of up to three. A multiphase flow model composed of supercritical CO2 and saline water was then applied to predict CO2 plume volume, geometry, pressure footprint, and containment during and post injection. Injection simulation reveals significant permeability anisotropy that favors development of northeast-elongate CO2 plumes, which are aligned with systematic fractures. The diffusive spreading front of the CO2 plume shows strong viscous fingering effects. Post-injection simulation indicates significant upward lateral spreading of CO2 resulting in accumulation of CO2 directly under the seal unit because of its buoyancy and strata-bound vertical fractures. Risk assessment shows that lateral movement of CO2 along interconnected fractures requires widespread seals with high integrity to confine the injected CO2.

Numerical simulations of hydrothermal circulation resulting from basalt intrusions in a buried spreading center

USGS Publications Warehouse

Fisher, A.T.; Narasimhan, T.N.

1991-01-01

A two-dimensional, one by two-kilometer section through the seafloor was simulated with a numerical model to investigate coupled fluid and heat flow resulting from basalt intrusions in a buried spreading center. Boundary and initial conditions and physical properties of both sediments and basalt were constrained by field surveys and drilling in the Guaymas Basin, central Gulf of California. Parametric variations in these studies included sediment and basalt permeability, anisotropy in sediment permeability, and the size of heat sources. Faults were introduced through new intrusions both before and after cooling.Background heat input caused fluid convection at velocities ≤ 3 cm a−1 through shallow sediments. Eighty to ninety percent of the heat introduced at the base of the simulations exited through the upper, horizontal surface, even when the vertical boundaries were made permeable to fluid flow. The simulated injection of a 25–50 m thick basalt intrusion at a depth of 250 m resulted in about 10 yr of pore-fluid expulsion through the sea-floor in all cases, leaving the sediments above the intrusions strongly underpressured. A longer period of fluid recharge followed, sometimes accompanied by reductions in total seafloor heat output of 10% in comparison to pre-intrusion values. Additional discharge-recharge events were dispersed chaotically through the duration of the cooling period. These cycles in heat and fluid flow resulted from the response of the simulated system to a thermodynamic shock, the sudden emplacement of a large heat source, and not from mechanical displacement of sediments and pore fluids, which was not simulated.Water/rock mass ratios calculated from numerical simulations are in good agreement with geochemical estimates from materials recovered from the Guaymas Basin, assuming a bulk basalt permeability value of at least 10−17 m2/(10−2 mD). The addition of faults through intrusions and sediments in these simulations did not facilitate continuous, rapid venting. Increased heat input at the base of the faults resulted in temporarily greater fluid discharge, but the flow could not be sustained because the modeled system could not recharge cold fluid quickly enough to remove sufficient heat through the vents.

Simulations of the origin of fluid pressure, fracture gen­ eration, and the movement of fluids in the Uinta Basin, Utah

USGS Publications Warehouse

Bredehoeft, J.D.; Wesley, J.B.; Fouch, T.D.

1994-01-01

The Altamont oil field in the deep Uinta basin is known to have reservoir fluid pressures that approach lithostatic. One explanation for this high pore-fluid pressure is the generation of oil from kerogen in the Green River oil shale at depth. A three-dimensional simulation of flow in the basin was done to test this hypothesis.In the flow simulation, oil generation is included as a fluid source. The kinetics of oil generation from oil shale is a function of temperature. The temperature is controlled by (1) the depth of sediment burial and (2) the geothermal gradient.Using this conceptual model, the pressure buildup results from the trade-off between the rate of oil generation and the flow away from the source volume. The pressure increase depends primarily on (1) the rate of the oil-generation reaction and (2) the permeability of the reservoir rocks. A sensitivity analysis was performed in which both of these parameters were systematically varied. The reservoir permeability must be lower than most of the observed data for the pressure to build up to near lithostatic.The results of the simulations indicated that once oil generation was initiated, the pore pressure built up rapidly to near lithostatic. We simulated hydrofractures in that part of the system in which the pressures approach lithostatic by increasing both the horizontal and the vertical permeability by an order of magnitude. Because the simulated hydrofractures were produced by the high pore pressure, they were restricted to the Altamont field. A new flow system was established in the vicinity of the reservoir; the maximum pore pressure was limited by the least principal stress. Fluids moved vertically up and down and laterally outward away from the source of oil generation. The analysis indicated that, assuming that one is willing to accept the low values of permeability, oil generati n can account for the observed high pressures at Altamont field.

Simulating the Cranfield geological carbon sequestration project with high-resolution static models and an accurate equation of state

DOE PAGES

Soltanian, Mohamad Reza; Amooie, Mohammad Amin; Cole, David R.; ...

2016-10-11

In this study, a field-scale carbon dioxide (CO 2) injection pilot project was conducted as part of the Southeast Regional Sequestration Partnership (SECARB) at Cranfield, Mississippi. We present higher-order finite element simulations of the compositional two-phase CO 2-brine flow and transport during the experiment. High- resolution static models of the formation geology in the Detailed Area Study (DAS) located below the oil- water contact (brine saturated) are used to capture the impact of connected flow paths on breakthrough times in two observation wells. Phase behavior is described by the cubic-plus-association (CPA) equation of state, which takes into account the polarmore » nature of water molecules. Parameter studies are performed to investigate the importance of Fickian diffusion, permeability heterogeneity, relative permeabilities, and capillarity. Simulation results for the pressure response in the injection well and the CO 2 breakthrough times at the observation wells show good agreement with the field data. For the high injection rates and short duration of the experiment, diffusion is relatively unimportant (high P clet numbers), while relative permeabilities have a profound impact on the pressure response. High-permeability pathways, created by fluvial deposits, strongly affect the CO 2 transport and highlight the importance of properly characterizing the formation heterogeneity in future carbon sequestration projects.« less

Evolution of gas saturation and relative permeability during gas production from hydrate-bearing sediments: Gas invasion vs. gas nucleation

NASA Astrophysics Data System (ADS)

Jang, Jaewon; Santamarina, J. Carlos

2014-01-01

Capillarity and both gas and water permeabilities change as a function of gas saturation. Typical trends established in the discipline of unsaturated soil behavior are used when simulating gas production from hydrate-bearing sediments. However, the evolution of gas saturation and water drainage in gas invasion (i.e., classical soil behavior) and gas nucleation (i.e., gas production) is inherently different: micromodel experimental results show that gas invasion forms a continuous flow path while gas nucleation forms isolated gas clusters. Complementary simulations conducted using tube networks explore the implications of the two different desaturation processes. In spite of their distinct morphological differences in fluid displacement, numerical results show that the computed capillarity-saturation curves are very similar in gas invasion and nucleation (the gas-water interface confronts similar pore throat size distribution in both cases); the relative water permeability trends are similar (the mean free path for water flow is not affected by the topology of the gas phase); and the relative gas permeability is slightly lower in nucleation (delayed percolation of initially isolated gas-filled pores that do not contribute to gas conductivity). Models developed for unsaturated sediments can be used for reservoir simulation in the context of gas production from hydrate-bearing sediments, with minor adjustments to accommodate a lower gas invasion pressure Po and a higher gas percolation threshold.

Stochastical analysis of surfactant-enhanced remediation of denser-than-water nonaqueous phase liquid (DNAPL)-contaminated soils.

PubMed

Zhang, Renduo; Wood, A Lynn; Enfield, Carl G; Jeong, Seung-Woo

2003-01-01

Stochastical analysis was performed to assess the effect of soil spatial variability and heterogeneity on the recovery of denser-than-water nonaqueous phase liquids (DNAPL) during the process of surfactant-enhanced remediation. UTCHEM, a three-dimensional, multicomponent, multiphase, compositional model, was used to simulate water flow and chemical transport processes in heterogeneous soils. Soil spatial variability and heterogeneity were accounted for by considering the soil permeability as a spatial random variable and a geostatistical method was used to generate random distributions of the permeability. The randomly generated permeability fields were incorporated into UTCHEM to simulate DNAPL transport in heterogeneous media and stochastical analysis was conducted based on the simulated results. From the analysis, an exponential relationship between average DNAPL recovery and soil heterogeneity (defined as the standard deviation of log of permeability) was established with a coefficient of determination (r2) of 0.991, which indicated that DNAPL recovery decreased exponentially with increasing soil heterogeneity. Temporal and spatial distributions of relative saturations in the water phase, DNAPL, and microemulsion in heterogeneous soils were compared with those in homogeneous soils and related to soil heterogeneity. Cleanup time and uncertainty to determine DNAPL distributions in heterogeneous soils were also quantified. The study would provide useful information to design strategies for the characterization and remediation of nonaqueous phase liquid-contaminated soils with spatial variability and heterogeneity.

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.

Association between intestinal permeability and faecal microbiota composition in Italian children with beta cell autoimmunity at risk for type 1 diabetes.

PubMed

Maffeis, Claudio; Martina, Alessia; Corradi, Massimiliano; Quarella, Sara; Nori, Nicole; Torriani, Sandra; Plebani, Mario; Contreas, Giovanna; Felis, Giovanna E

2016-10-01

Pancreatic organ-specific autoimmunity in subjects at risk for type 1 diabetes (T1D) is associated with increased intestinal permeability and an aberrant gut microbiota, but these factors have not yet been simultaneously investigated in the same subjects. Thus, the aim of this study was to assess both intestinal permeability and gut microbiota composition in an Italian sample of children at risk for T1D. Ten Italian children with beta cell autoimmunity at risk for T1D and 10 healthy children were involved in a case-control study. The lactulose/mannitol test was used to assess intestinal permeability. Analysis of microbiota composition was performed using polymerase chain reaction followed by denaturing gradient gel electrophoresis, based on the 16S rRNA gene. Intestinal permeability was significantly higher in children at risk for T1D than in healthy controls. Moreover, the gut microbiota of the former differed from that of the latter group: Three microorganisms were detected - Dialister invisus, Gemella sanguinis and Bifidobacterium longum - in association with the pre-pathologic state. The results of this study validated the hypothesis that increased intestinal permeability together with differences in microbiota composition are contemporaneously associated with the pre-pathological condition of T1D in a sample of Italian children. Further studies are necessary to confirm the microbial markers identified in this sample of children as well as to clarify the involvement of microbiota modifications in the mechanisms leading to increased permeability and the autoimmune mechanisms that promote diabetes onset. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Contention between supply of hydrothermal fluid and conduit obstruction: inferences from numerical simulations

NASA Astrophysics Data System (ADS)

Tanaka, Ryo; Hashimoto, Takeshi; Matsushima, Nobuo; Ishido, Tsuneo

2018-05-01

We investigate a volcanic hydrothermal system using numerical simulations, focusing on change in crater temperature. Both increases and decreases in crater temperature have been observed before phreatic eruptions. We follow the system's response for up to a decade after hydrothermal fluid flux from the deep part of the system is increased and permeability is reduced at a certain depth in a conduit. Our numerical simulations demonstrate that: (1) changes in crater temperature are controlled by the magnitude of the increase in hydrothermal fluid flux and the degree of permeability reduction; (2) significant increases in hydrothermal flux with decreases in permeability induce substantial pressure changes in shallow depths in the edifice and decreases in crater temperature; (3) the location of maximum pressure change differs between the mechanisms. The results of this study imply that it is difficult to predict eruptions by crater temperature change alone. One should be as wary of large eruptions when crater temperature decreases as when crater temperature increases. It is possible to clarify the implications of changes in crater temperature with simultaneous observation of ground deformation.[Figure not available: see fulltext.

Geyser periodicity and the response of geysers to deformation

USGS Publications Warehouse

Ingebritsen, S.E.; Rojstaczer, S.A.

1996-01-01

Numerical simulations of multiphase fluid and heat transport through a porous medium define combinations of rock properties and boundary conditions which lead to geyser-like periodic discharge. Within the rather narrow range of conditions that allow geyser-like behavior, eruption frequency and discharge are highly sensitive to the intrinsic permeabilities of the geyser conduit and the surrounding rock matrix, to the relative permeability functions assumed, and to pressure gradients in the matrix. In theory, heats pipes (concomitant upward flow of steam and downward flow of liquid) can exist under similar conditions, but our simulations suggest that the periodic solution is more stable. Simulated time series of geyser discharge are chaotic, but integrated quantities such as eruption frequency and mass discharge per eruption are free of chaos. These results may explain the observed sensitivity of natural geysers to small strains such as those caused by remote earthquakes, if ground motion is sufficient to induce permeability changes. Changes in geyser behavior caused by minor preseismic deformation, periodic surface loading, and Earth tides are more difficult to explain in the context of our current model. Copyright 1996 by the American Geophysical Union.

Simulation of permeability evolution of leakage pathway in carbonate-rich caprocks in carbon sequestration

NASA Astrophysics Data System (ADS)

Guo, B.; Fitts, J. P.; Dobossy, M. E.; Peters, C. A.

2013-12-01

Geologic carbon sequestration in deep saline aquifers is a promising strategy for mitigating climate change. A major concern is the possibility of brine and CO2 migration through the caprock such as through fractures and faults. In this work, we examine the extent to which mineral dissolution will substantially alter the porosity and permeability of caprock leakage pathways as CO2-acidified brine flows through them. Three models were developed. Firstly, a reactive transport model, Permeability Evolution of Leakage pathway (PEL), was developed to simulate permeability evolution of a leakage pathway during the injection period, and assumes calcite is the only reactive mineral. The system domain is a 100 m long by 0.2 m diameter cylindrical flow path with fixed boundaries containing a rock matrix with an initial porosity of 30% and initial permeability of 1×10-13 m2. One example result is for an initial calcite volume fraction (CVF) of 0.20, in which all the calcite is dissolved after 50 years and the permeability reaches 3.2×10-13 m2. For smaller values of CVF, the permeability reaches its final value earlier but the increase in permeability is minimal. For a large value of CVF such as 0.50, the permeability could eventually reach 1×10-12 m2, but the large amount of dissolved calcium buffers the solution and slows the reaction. After 50 years the permeability change is negligible. Thus, there is a non-monotonic relationship between the amount of calcite in the rock and the resulting permeability change because of the competing dynamics of calcite dissolution and alkalinity build-up. In the second model, PEL was coupled to an existing basin-scale multiphase flow model, Princeton's Estimating Leakage Semi-Analytical (ELSA) model. The new model, ELSA-PEL, estimates the brine and CO2 leakage rates during the injection period under conditions of permeability evolution. The scenario considered in this work is for 50 years of CO2 injection into the Mt. Simon formation in the Michigan basin at an injection rate of 1 Mt/y. As an example, for a CVF value of 5%, the brine leakage rate after fifty years for a leakage pathway 1,000 m distance from the injection well is 0.88 kg/s, which is 2.4% larger than if there were no geochemical evolution of the permeability. In a sensitivity analysis with regard to the distance between the leakage pathway and the injection well, it was found that the cumulative leakage first increases with the distance and the relationship reverses after a certain distance. When the leakage pathway is farther away, the pressure increment drops leading to less acid brine flow; meanwhile, the time before the CO2 plume reaches the pathway is longer and this lengthens the reaction time with brine. Thirdly, we explored the role that SO2 would play if it were present as a co-injectant in carbon sequestration. The reaction considered is SO2 hydrolysis to form sulfurous acid. We expect the sulfurous acid will erode the calcite faster than carbonic acid because it is a stronger acid. Contrary to intuition, the simulation results showed a decrease in permeability due to CaSO3 precipitation in replacement of CaCO3, as CaSO3 has a larger molar volume.

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

Transverse Chemotactic Migration of Bacteria from High to Low Permeability Regions in a Dual Permeability Porous Microfluidic Device

NASA Astrophysics Data System (ADS)

Singh, R.; Olson, M. S.

2011-12-01

Low permeability regions sandwiched between high permeability regions such as clay lenses are difficult to treat using conventional treatment methods. Trace concentrations of contaminants such as non-aqueous phase liquids (NAPLs) remain trapped in these regions and over the time diffuse out into surrounding water thereby acting as a long term source of groundwater contamination. Bacterial chemotaxis (directed migration toward a contaminant source), may be helpful in enhancing bioremediation of such contaminated sites. This study is focused on simulating a two-dimensional dual-permeability groundwater contamination scenario using microfluidic devices and evaluating transverse chemotactic migration of bacteria from high to low permeability regions. A novel bi-layer polydimethylsiloxane (PDMS) microfluidic device was fabricated using photolithography and soft lithography techniques to simulate contamination of a dual- permeability region due to leakage from an underground storage tank into a low permeability region. This device consists of a porous channel through which a bacterial suspension (Escherchia Coli HCB33) is flown and another channel for injecting contaminant/chemo-attractant (DL-aspertic acid) into the porous channel. The pore arrangement in the porous channel contains a 2-D low permeability region surrounded by high permeability regions on both sides. Experiments were performed under chemotactic and non-chemotactic (replacing attractant with buffer solution in the non porous channel) conditions. Images were captured in transverse pore throats at cross-sections 4.9, 9.8, and 19.6 mm downstream from the attractant injection point and bacteria were enumerated in the middle of each pore throat. Bacterial chemotaxis was quantified in terms of the change in relative bacterial counts in each pore throat at cross-sections 9.8 and 19.6 mm with respect to counts at the cross-section at 4.9 mm. Under non-chemotactic conditions, relative bacterial count was observed to decrease at 9.8 mm and 19.6 mm cross-sections in low permeability regions due to dilution with the injectate from the non-porous channel (Figure 1). However, relative bacterial counts increased in the low permeability region at both downstream cross-sections under chemotactic conditions. A large increase in relative bacterial count in the pore throats just outside the low permeability region was also observed at both cross-sections (Figure 1). The bacterial chemotactic response was observed to decrease linearly with increasing Darcy velocity and at flow rate 0.220 mm/s the chemotactic effect was offset by the advective flow in the porous channel.

Theoretical Evaluation of the Transient Response of Constant Head and Constant Flow-Rate Permeability Tests

USGS Publications Warehouse

Zhang, M.; Takahashi, M.; Morin, R.H.; Esaki, T.

1998-01-01

A theoretical analysis is presented that compares the response characteristics of the constant head and the constant flowrate (flow pump) laboratory techniques for quantifying the hydraulic properties of geologic materials having permeabilities less than 10-10 m/s. Rigorous analytical solutions that describe the transient distributions of hydraulic gradient within a specimen are developed, and equations are derived for each method. Expressions simulating the inflow and outflow rates across the specimen boundaries during a constant-head permeability test are also presented. These solutions illustrate the advantages and disadvantages of each method, including insights into measurement accuracy and the validity of using Darcy's law under certain conditions. The resulting observations offer practical considerations in the selection of an appropriate laboratory test method for the reliable measurement of permeability in low-permeability geologic materials.

Reflection coefficient and permeability of urea and ethylene glycol in the human red cell membrane

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

Levitt, D.G.; Mlekoday, H.J.

1983-02-01

The reflection coefficient (sigma) and permeability (P) of urea and ethylene glycol were determined by fitting the equations of Kedem and Katchalsky (1958) to the change in light scattering produced by adding a permeable solute to a red cell suspension. The measurements incorporated three important modifications: (a) the injection artifact was eliminated by using echinocyte cells; (b) the use of an additional adjustable parameter (Km), the effective dissociation constant at the inner side of the membrane; (c) the light scattering is not directly proportional to cell volume (as is usually assumed) because refractive index and scattering properties of the cellmore » depend on the intracellular permeable solute concentration. This necessitates calibrating for known changes in refractive index (by the addition of dextran) and cell volume (by varying the NaCl concentration). The best fit was for sigma . 0.95, Po . 8.3 X 10(-4) cm/s, and Km . 100 mM for urea and sigma . 1.0, Po . 3.9 X 10(-4) cm/s, and Km . 30 mM for ethylene glycol. The effects of the inhibitors copper, phloretin, p-chloromercuriphenylsulfonate, and 5,5'-dithiobis (2-nitro) benzoic acid on the urea, ethylene glycol, and water permeability were determined. The results suggest that there are three separate, independent transport systems: one for water, one for urea and related compounds, and one for ethylene glycol and glycerol.« less

Conserved Aromatic Residue Confers Cation Selectivity in Claudin-2 and Claudin-10b*

PubMed Central

Li, Jiahua; Zhuo, Min; Pei, Lei; Yu, Alan S. L.

2013-01-01

In tight junctions, both claudin-2 and claudin-10b form paracellular cation-selective pores by the interaction of the first ECL 1 with permeating ions. We hypothesized that a highly conserved aromatic residue near the pore selectivity filter of claudins contributes to cation selectivity by cation-π interaction with the permeating cation. To test this, we generated MDCK I Tet-off cells stably transfected with claudin-2 Tyr67 mutants. The Y67L mutant showed reduced cation selectivity compared with wild-type claudin-2 due to a decrease in Na+ permeability, without affecting the Cl− permeability. The Y67A mutant enlarged the pore size and further decreased the charge selectivity due to an increase in Cl− permeability. The Y67F mutant restored the Na+ permeability, Cl− permeability, and pore size back to wild-type. The accessibility of Y67C to methanethiosulfonate modification indicated that its side chain faces the lumen of the pore. In claudin-10b, the F66L mutant reduced cation selectivity, and the F66A mutant lost pore conductance. We conclude that the conserved aromatic residue near the cation pore domain of claudins contributes to cation selectivity by a dual role of cation-π interaction and a luminal steric effect. Our findings provide new insight into how ion selectivity is achieved in the paracellular pore. PMID:23760508

Impact of tuning CO 2-philicity in polydimethylsiloxane-based membranes for carbon dioxide separation

DOE PAGES

Hong, Tao; Chatterjee, Sabornie; Mahurin, Shannon M.; ...

2017-02-22

Amidoxime-functionalized polydimethylsiloxane (AO-PDMSPNB) membranes with various amidoxime compositions were synthesized via ring-opening metathesis polymerization followed by post-polymerization modification. Compared to other previously reported PDMS-based membranes, the amidoxime-functionalized membranes show enhanced CO 2 permeability and CO 2/N 2 selectivity. The overall gas separation performance (CO 2 permeability 6800 Barrer; CO 2/N 2 selectivity 19) of the highest performing membrane exceeds the Robeson upper bound line, and the excellent permeability of the copolymer itself provides great potential for real world applications where huge volumes of gases are separated. This study details how tuning the CO 2-philicity within rubbery polymer matrices influences gasmore » transport properties. Key parameters for tuning gas transport properties are discussed, and the experimental results show good consistency with theoretical calculations. Finally, this study provides a roadmap to enhancing gas separation performance in rubbery polymers by tuning gas solubility selectivity.« less

Hydraulic fracture conductivity: effects of rod-shaped proppant from lattice-Boltzmann simulations and lab tests

NASA Astrophysics Data System (ADS)

Osiptsov, Andrei A.

2017-06-01

The goal of this study is to evaluate the conductivity of random close packings of non-spherical, rod-shaped proppant particles under the closure stress using numerical simulation and lab tests, with application to the conductivity of hydraulic fractures created in subterranean formation to stimulate production from oil and gas reservoirs. Numerical simulations of a steady viscous flow through proppant packs are carried out using the lattice Boltzmann method for the Darcy flow regime. The particle packings were generated numerically using the sequential deposition method. The simulations are conducted for packings of spheres, ellipsoids, cylinders, and mixtures of spheres with cylinders at various volumetric concentrations. It is demonstrated that cylinders provide the highest permeability among the proppants studied. The dependence of the nondimensional permeability (scaled by the equivalent particle radius squared) on porosity obtained numerically is well approximated by the power-law function: K /Rv2 = 0.204ϕ4.58 in a wide range of porosity: 0.3 ≤ ϕ ≤ 0.7. Lattice-Boltzmann simulations are cross-verified against finite-volume simulations using Navier-Stokes equations for inertial flow regime. Correlations for the normalized beta-factor as a function of porosity and normalized permeability are presented as well. These formulae are in a good agreement with the experimental measurements (including packings of rod-shaped particles) and existing laboratory data, available in the porosity range 0.3 ≤ ϕ ≤ 0.5. Comparison with correlations by other authors is also given.

Influence of a thin veneer of low-hydraulic-conductivity sediment on modelled exchange between river water and groundwater in response to induced infiltration

USGS Publications Warehouse

Rosenberry, Donald O.; Healy, Richard W.

2012-01-01

A thin layer of fine-grained sediment commonly is deposited at the sediment–water interface of streams and rivers during low-flow conditions, and may hinder exchange at the sediment–water interface similar to that observed at many riverbank-filtration (RBF) sites. Results from a numerical groundwater-flow model indicate that a low-permeability veneer reduces the contribution of river water to a pumping well in a riparian aquifer to various degrees, depending on simulated hydraulic gradients, hydrogeological properties, and pumping conditions. Seepage of river water is reduced by 5–10% when a 2-cm thick, low-permeability veneer is present on the bed surface. Increasing thickness of the low-permeability layer to 0·1 m has little effect on distribution of seepage or percentage contribution from the river to the pumping well. A three-orders-of-magnitude reduction in hydraulic conductivity of the veneer is required to reduce seepage from the river to the extent typically associated with clogging at RBF sites. This degree of reduction is much larger than field-measured values that were on the order of a factor of 20–25. Over 90% of seepage occurs within 12 m of the shoreline closest to the pumping well for most simulations. Virtually no seepage occurs through the thalweg near the shoreline opposite the pumping well, although no low-permeability sediment was simulated for the thalweg. These results are relevant to natural settings that favour formation of a substantial, low-permeability sediment veneer, as well as central-pivot irrigation systems, and municipal water supplies where river seepage is induced via pumping wells

A phenomenological model for simulating the chemo-responsive shape memory effect in polymers undergoing a permeation transition

NASA Astrophysics Data System (ADS)

Lu, Haibao; Huang, Wei Min; Leng, Jinsong

2014-04-01

We present a phenomenological model for studying the constitutive relations and working mechanism of the chemo-responsive shape memory effect (SME) in shape memory polymers (SMPs). On the basis of the solubility parameter equation, diffusion model and permeation transition model, a phenomenological model is derived for quantitatively identifying the influential factors in the chemically induced SME in SMPs. After this, a permeability parallel model and series model are implemented in order to couple the constitutive relations of the permeability coefficient, stress and relaxation time as a function of stretch, separately. The inductive effect of the permeability transition on the transition temperature is confirmed as the driving force for the chemo-responsive SME. Furthermore, the analytical result from the phenomenological model is compared with the available experimental results and the simulation of a semi-empirical model reported in the literature for verification.

Gas Flow Tightly Coupled to Elastoplastic Geomechanics for Tight- and Shale-Gas Reservoirs: Material Failure and Enhanced Permeability

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

Kim, Jihoon; Moridis, George J.

We investigate coupled flow and geomechanics in gas production from extremely low permeability reservoirs such as tight and shale gas reservoirs, using dynamic porosity and permeability during numerical simulation. In particular, we take the intrinsic permeability as a step function of the status of material failure, and the permeability is updated every time step. We consider gas reservoirs with the vertical and horizontal primary fractures, employing the single and dynamic double porosity (dual continuum) models. We modify the multiple porosity constitutive relations for modeling the double porous continua for flow and geomechanics. The numerical results indicate that production of gasmore » causes redistribution of the effective stress fields, increasing the effective shear stress and resulting in plasticity. Shear failure occurs not only near the fracture tips but also away from the primary fractures, which indicates generation of secondary fractures. These secondary fractures increase the permeability significantly, and change the flow pattern, which in turn causes a change in distribution of geomechanical variables. From various numerical tests, we find that shear failure is enhanced by a large pressure drop at the production well, high Biot's coefficient, low frictional and dilation angles. Smaller spacing between the horizontal wells also contributes to faster secondary fracturing. When the dynamic double porosity model is used, we observe a faster evolution of the enhanced permeability areas than that obtained from the single porosity model, mainly due to a higher permeability of the fractures in the double porosity model. These complicated physics for stress sensitive reservoirs cannot properly be captured by the uncoupled or flow-only simulation, and thus tightly coupled flow and geomechanical models are highly recommended to accurately describe the reservoir behavior during gas production in tight and shale gas reservoirs and to smartly design production scenarios.« less

Gas Flow Tightly Coupled to Elastoplastic Geomechanics for Tight- and Shale-Gas Reservoirs: Material Failure and Enhanced Permeability

DOE PAGES

Kim, Jihoon; Moridis, George J.

2014-12-01

We investigate coupled flow and geomechanics in gas production from extremely low permeability reservoirs such as tight and shale gas reservoirs, using dynamic porosity and permeability during numerical simulation. In particular, we take the intrinsic permeability as a step function of the status of material failure, and the permeability is updated every time step. We consider gas reservoirs with the vertical and horizontal primary fractures, employing the single and dynamic double porosity (dual continuum) models. We modify the multiple porosity constitutive relations for modeling the double porous continua for flow and geomechanics. The numerical results indicate that production of gasmore » causes redistribution of the effective stress fields, increasing the effective shear stress and resulting in plasticity. Shear failure occurs not only near the fracture tips but also away from the primary fractures, which indicates generation of secondary fractures. These secondary fractures increase the permeability significantly, and change the flow pattern, which in turn causes a change in distribution of geomechanical variables. From various numerical tests, we find that shear failure is enhanced by a large pressure drop at the production well, high Biot's coefficient, low frictional and dilation angles. Smaller spacing between the horizontal wells also contributes to faster secondary fracturing. When the dynamic double porosity model is used, we observe a faster evolution of the enhanced permeability areas than that obtained from the single porosity model, mainly due to a higher permeability of the fractures in the double porosity model. These complicated physics for stress sensitive reservoirs cannot properly be captured by the uncoupled or flow-only simulation, and thus tightly coupled flow and geomechanical models are highly recommended to accurately describe the reservoir behavior during gas production in tight and shale gas reservoirs and to smartly design production scenarios.« less

Study on Fluid-solid Coupling Mathematical Models and Numerical Simulation of Coal Containing Gas

NASA Astrophysics Data System (ADS)

Xu, Gang; Hao, Meng; Jin, Hongwei

2018-02-01

Based on coal seam gas migration theory under multi-physics field coupling effect, fluid-solid coupling model of coal seam gas was build using elastic mechanics, fluid mechanics in porous medium and effective stress principle. Gas seepage behavior under different original gas pressure was simulated. Results indicated that residual gas pressure, gas pressure gradient and gas low were bigger when original gas pressure was higher. Coal permeability distribution decreased exponentially when original gas pressure was lower than critical pressure. Coal permeability decreased rapidly first and then increased slowly when original pressure was higher than critical pressure.

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.

Geological Modeling and Fluid Flow Simulation of Acid Gas Storage, Nugget Sandstone, Moxa Arch, Wyoming

NASA Astrophysics Data System (ADS)

Li, S.; Zhang, Y.; Zhang, X.; Du, C.

2009-12-01

The Moxa Arch Anticline is a regional-scale northwest-trending uplift in western Wyoming where geological storage of acid gases (CO2, CH4, N2, H2S, He) from ExxonMobile's Shute Creek Gas Plant is under consideration. The Nugget Sandstone, a deep saline aquifer at depths exceeding 17,170 ft, is a candidate formation for acid gas storage. As part of a larger goal of determining site suitability, this study builds three-dimensional local to regional scale geological and fluid flow models for the Nugget Sandstone, its caprock (Twin Creek Limestone), and an underlying aquifer (Ankareh Sandstone), or together, the ``Nugget Suite''. For an area of 3000 square miles, geological and engineering data were assembled, screened for accuracy, and digitized, covering an average formation thickness of ~1700 feet. The data include 900 public-domain well logs (SP, Gamma Ray, Neutron Porosity, Density, Sonic, shallow and deep Resistivity, Lithology, Deviated well logs), 784 feet of core measurements (porosity and permeability), 4 regional geological cross sections, and 3 isopach maps. Data were interpreted and correlated for geological formations and facies, the later categorized using both Neural Network and Gaussian Hierarchical Clustering algorithms. Well log porosities were calibrated with core measurements, those of permeability estimated using formation-specific porosity-permeability transforms. Using conditional geostatistical simulations (first indicator simulation of facies, then sequential Gaussian simulation of facies-specific porosity), data were integrated at the regional-scale to create a geological model from which a local-scale simulation model surrounding the Shute Creek injection site was extracted. Based on this model, full compositional multiphase flow simulations were conducted with which we explore (1) an appropriate grid resolution for accurate acid gas predictions (pressure, saturation, and mass balance); (2) sensitivity of key geological and engineering variables on model predictions. Results suggest that (1) a horizontal and vertical resolution of 1/75 and 1/5~1/2 porosity correlation length is needed, respectively, to accurately capture the flow physics and mass balance. (2) the most sensitive variables that have first order impact on model predictions (i.e., regional storage, local displacement efficiency) are boundary condition, vertical permeability, relative permeability hysteresis, and injection rate. However, all else being equal, formation brine salinity has the most important effects on the concentrations of all dissolved components. Future work will define and simulate reactions of acid gases with formation brines and rocks which are currently under laboratory investigations.

Laboratory measurements of shock propagation through spherical cavities in an optically accessible polymer.

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

Chojnicki, Kirsten; Cooper, Marcia A.; Guo, Shuyue

Pore-scale aperture effects on flow in pore networks was studied in the laboratory to provide a parameterization for use in transport models. Four cases were considered: regular and irregular pillar/pore alignment with and without an aperture. The velocity field of each case was measured and simulated, providing quantitatively comparable results. Two aperture effect parameterizations were considered: permeability and transmission. Permeability values varied by an order of magnitude between the cases with and without apertures. However, transmission did not correlate with permeability. Despite having much greater permeability the regular aperture case permitted less transmission than the regular case. Moreover, both irregularmore » cases had greater transmission than the regular cases, a difference not supported by the permeabilities. Overall, these findings suggest that pore-scale aperture effects on flow though a pore-network may not be adequately captured by properties such as permeability for applications that are interested in determining particle transport volume and timing.« less

Assessment of CO2 Mineralization and Dynamic Rock Properties at the Kemper Pilot CO2 Injection Site

NASA Astrophysics Data System (ADS)

Qin, F.; Kirkland, B. L.; Beckingham, L. E.

2017-12-01

CO2-brine-mineral reactions following CO2 injection may impact rock properties including porosity, permeability, and pore connectivity. The rate and extent of alteration largely depends on the nature and evolution of reactive mineral interfaces. In this work, the potential for geochemical reactions and the nature of the reactive mineral interface and corresponding hydrologic properties are evaluated for samples from the Lower Tuscaloosa, Washita-Fredericksburg, and Paluxy formations. These formations have been identified as future regionally extensive and attractive CO2 storage reservoirs at the CO2 Storage Complex in Kemper County, Mississippi, USA (Project ECO2S). Samples from these formations were obtained from the Geological Survey of Alabama and evaluated using a suite of complementary analyses. The mineral composition of these samples will be determined using petrography and powder X-ray Diffraction (XRD). Using these compositions, continuum-scale reactive transport simulations will be developed and the potential CO2-brine-mineral interactions will be examined. Simulations will focus on identifying potential reactive minerals as well as the corresponding rate and extent of reactions. The spatial distribution and accessibility of minerals to reactive fluids is critical to understanding mineral reaction rates and corresponding changes in the pore structure, including pore connectivity, porosity and permeability. The nature of the pore-mineral interface, and distribution of reactive minerals, will be determined through imaging analysis. Multiple 2D scanning electron microscopy (SEM) backscattered electron (BSE) images and energy dispersive x-ray spectroscopy (EDS) images will be used to create spatial maps of mineral distributions. These maps will be processed to evaluate the accessibility of reactive minerals and the potential for flow-path modifications following CO2 injection. The "Establishing an Early CO2 Storage Complex in Kemper, MS" project is funded by the U.S. Department of Energy's National Energy Technology Laboratory and cost-sharing partners.

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.

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

Impacts of relative permeability on CO2 phase behavior, phase distribution, and trapping mechanisms

NASA Astrophysics Data System (ADS)

Moodie, N.; McPherson, B. J. O. L.; Pan, F.

2015-12-01

A critical aspect of geologic carbon storage, a carbon-emissions reduction method under extensive review and testing, is effective multiphase CO2 flow and transport simulation. Relative permeability is a flow parameter particularly critical for accurate forecasting of multiphase behavior of CO2 in the subsurface. The relative per­meability relationship assumed and especially the irreducible saturation of the gas phase greatly impacts predicted CO2 trapping mechanisms and long-term plume migration behavior. A primary goal of this study was to evaluate the impact of relative permeability on efficacy of regional-scale CO2 sequestration models. To accomplish this we built a 2-D vertical cross-section of the San Rafael Swell area of East-central Utah. This model simulated injection of CO2 into a brine aquifer for 30 years. The well was then shut-in and the CO2 plume behavior monitored for another 970 years. We evaluated five different relative permeability relationships to quantify their relative impacts on forecasted flow results of the model, with all other parameters maintained uniform and constant. Results of this analysis suggest that CO2 plume movement and behavior are significantly dependent on the specific relative permeability formulation assigned, including the assumed irreducible saturation values of CO2 and brine. More specifically, different relative permea­bility relationships translate to significant differences in CO2 plume behavior and corresponding trapping mechanisms.

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.

Modification of the mitochondrial sulfonylurea receptor by thiol reagents.

PubMed

Szewczyk, A; Wójcik, G; Lobanov, N A; Nalecz, M J

1999-08-19

The purpose of this study was to investigate the effects exerted by thiol-modifying reagents on themitochondrial sulfonylurea receptor. The thiol-oxidizing agents (timerosal and 5, 5'-dithio-bis(2-nitrobenzoic acid)) were found to produce a large inhibition (70% to 80%) of specific binding of [(3)H]glibenclamide to the beef heart mitochondrial membrane. Similar effects were observed with membrane permeable (N-ethylmaleimide) and non-permeable (mersalyl) thiol modifying agents. Glibenclamide binding was also decreased by oxidizing agents (hydrogen peroxide) but not by reducing agents (reduced gluthatione, dithiothreitol and the 2,3-dihydroxy-1,4-dithiolbutane). The results suggest that intact thiol groups, facing the mitochondrial matrix, are essential for glibenclamide binding to the mitochondrial sulfonylurea receptor. Copyright 1999 Academic Press.

A Novel True Triaxial Apparatus to Study the Geomechanical and Fluid Flow Aspects of Energy Exploitations in Geological Formations

NASA Astrophysics Data System (ADS)

Li, Minghui; Yin, Guangzhi; Xu, Jiang; Li, Wenpu; Song, Zhenlong; Jiang, Changbao

2016-12-01

Fluid-solid coupling investigations of the geological storage of CO2, efficient unconventional oil and natural gas exploitations are mostly conducted under conventional triaxial stress conditions ( σ 2 = σ 3), ignoring the effects of σ 2 on the geomechanical properties and permeability of rocks (shale, coal and sandstone). A novel multi-functional true triaxial geophysical (TTG) apparatus was designed, fabricated, calibrated and tested to simulate true triaxial stress ( σ 1 > σ 2 > σ 3) conditions and to reveal geomechanical properties and permeability evolutions of rocks. The apparatus was developed with the capacity to carry out geomechanical and fluid flow experiments at high three-dimensional loading forces and injection pressures under true triaxial stress conditions. The control and measurement of the fluid flow with effective sealing of rock specimen corners were achieved using a specially designed internally sealed fluid flow system. To validate that the apparatus works properly and to recognize the effects of each principal stress on rock deformation and permeability, stress-strain and permeability experiments and a hydraulic fracturing simulation experiment on shale specimens were conducted under true triaxial stress conditions using the TTG apparatus. Results show that the apparatus has advantages in recognizing the effects of σ 2 on the geomechanical properties and permeability of rocks. Results also demonstrate the effectiveness and reliability of the novel TTG apparatus. The apparatus provides a new method of studying the geomechanical properties and permeability evolutions of rocks under true triaxial stress conditions, promoting further investigations of the geological storage of CO2, efficient unconventional oil and gas exploitations.

The Interplay Between Saline Fluid Flow and Dynamic Permeability in Magmatic-Hydrothermal Systems

NASA Astrophysics Data System (ADS)

Weis, P.

2014-12-01

Magmatic-hydrothermal ore deposits document the interplay between saline fluid flow and rock permeability. Numerical simulations of multi-phase flow of variably miscible, compressible H20-NaCl fluids in concert with a dynamic permeability model can reproduce characteristics of porphyry copper and epithermal gold systems. This dynamic permeability model incorporates depth-dependent permeability profiles characteristic for tectonically active crust as well as pressure- and temperature-dependent relationships describing hydraulic fracturing and the transition from brittle to ductile rock behavior. In response to focused expulsion of magmatic fluids from a crystallizing upper crustal magma chamber, the hydrothermal system self-organizes into a hydrological divide, separating an inner part dominated by ascending magmatic fluids under near-lithostatic pressures from a surrounding outer part dominated by convection of colder meteoric fluids under near-hydrostatic pressures. This hydrological divide also provides a mechanism to transport magmatic salt through the crust, and prevents the hydrothermal system to become "clogged" by precipitation of solid halite due to depressurization of saline, high-temperature magmatic fluids. The same physical processes at similar permeability ranges, crustal depths and flow rates are relevant for a number of active systems, including geothermal resources and excess degassing at volcanos. The simulations further suggest that the described mechanism can separate the base of free convection in high-enthalpy geothermal systems from the magma chamber as a driving heat source by several kilometers in the vertical direction in tectonic settings with hydrous magmatism. This hydrology would be in contrast to settings with anhydrous magmatism, where the base of the geothermal systems may be closer to the magma chamber.

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.

Experimental determination of the viscous flow permeability of porous materials by measuring reflected low frequency acoustic waves

NASA Astrophysics Data System (ADS)

Berbiche, A.; Sadouki, M.; Fellah, Z. E. A.; Ogam, E.; Fellah, M.; Mitri, F. G.; Depollier, C.

2016-01-01

An acoustic reflectivity method is proposed for measuring the permeability or flow resistivity of air-saturated porous materials. In this method, a simplified expression of the reflection coefficient is derived in the Darcy's regime (low frequency range), which does not depend on frequency and porosity. Numerical simulations show that the reflection coefficient of a porous material can be approximated by its simplified expression obtained from its Taylor development to the first order. This approximation is good especially for resistive materials (of low permeability) and for the lower frequencies. The permeability is reconstructed by solving the inverse problem using waves reflected by plastic foam samples, at different frequency bandwidths in the Darcy regime. The proposed method has the advantage of being simple compared to the conventional methods that use experimental reflected data, and is complementary to the transmissivity method, which is more adapted to low resistive materials (high permeability).

Determining the hydraulic properties of saturated, low-permeability geological materials in the laboratory: Advances in theory and practice

USGS Publications Warehouse

Zhang, M.; Takahashi, M.; Morin, R.H.; Endo, H.; Esaki, T.; ,

2002-01-01

The accurate hydraulic characterization of low-permeability subsurface environments has important practical significance. In order to examine this issue from the perspective of laboratory-based approaches, we review some recent advancements in the theoretical analyses of three different laboratory techniques specifically applied to low-permeability geologic materials: constant-head, constant flow-rate and transient-pulse permeability tests. Some potential strategies for effectively decreasing the time required to confidently estimate the permeability of these materials are presented. In addition, a new and versatile laboratory system is introduced that can implement any of these three test methods while simultaneously subjecting a specimen to high confining pressures and pore pressures, thereby simulating in situ conditions at great depths. The capabilities and advantages of this innovative system are demonstrated using experimental data derived from Shirahama sandstone and Inada granite, two rock types widely encountered in Japan.

Water and salt balance of Great Salt Lake, Utah, and simulation of water and salt movement through the causeway

USGS Publications Warehouse

Wold, Steven R.; Thomas, Blakemore E.; Waddell, Kidd M.

1997-01-01

The water and salt balance of Great Salt Lake primarily depends on the amount of inflow from tributary streams and the conveyance properties of a causeway constructed during 1957-59 that divides the lake into the south and north parts. The conveyance properties of the causeway originally included two culverts, each 15 feet wide, and the permeable rock-fill material.During 1980-86, the salt balance changed as a result of record high inflow that averaged 4,627,000 acre-feet annually and modifications made to the conveyance properties of the causeway that included opening a 300-foot-wide breach. In this study, a model developed in 1973 by Waddell and Bolke to simulate the water and salt balance of the lake was revised to accommodate the high water-surface altitude and modifications made to the causeway. This study, done by the U.S. Geological Survey in cooperation with the Utah Department of Natural Resources, Division of State Lands and Forestry, updates the model with monitoring data collected during 1980-86. This report describes the calibration of the model and presents the results of simulations for three hypothetical 10-year periods.During January 1, 1980, to July 31, 1984, a net load of 0.5 billion tons of dissolved salt flowed from the south to the north part of the lake primarily as a result of record inflows. From August 1, 1984, when the breach was opened, to December 31,1986, a net load of 0.3 billion tons of dissolved salt flowed from the north to the south part of the lake primarily as a result of the breach.For simulated inflow rates during a hypothetical 10-year period resulting in the water-surface altitude decreasing from about 4,200 to 4,192 feet, there was a net movement of about 1.0 billion tons of dissolved salt from the south to the north part, and about 1.7 billion tons of salt precipitated in the north part. For simulated inflow rates during a hypothetical 10-year period resulting in a rise in water-surface altitude from about 4,200 to 4,212 feet, there was a net movement of about 0.2 billion tons of dissolved salt from the south to the north part and no salt was precipitated in the north part of the lake.

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

Molecular Design of Sulfonated Triblock Copolymer Permselective Membranes

DTIC Science & Technology

2008-07-03

factors governing sorption and permeability ofphosphoorganic agents in PEM made of sulfonated triblock copolymers of styrene and lower olefins by means...membrane morphology at environmental conditions, and the membrane sorption and transport properties with respect to water and nerve gas simulant...and chemical factors governing sorption and permeability of phosphoorganic agents in PEM made of sulfonated triblock copolymers of styrene and lower

Determine the permeability of an amorphous mixture of polydimethylsiloxane and dealuminated zeolite ZSM-5 to various ethanol-water solutions using molecular simulations.

EPA Science Inventory

An amorphous mixture of PDMS and multi-cellular fragments of ZSM-5 is brought together to approximate the properties of a mixed matrix membrane of PDMS with ZSM-5. The permeability coefficient of the amorphous mixture for pure water is the product of the diffusion coefficient of...

Spatial patterns of diagenesis during geothermal circulation in carbonate platforms

USGS Publications Warehouse

Wilson, A.M.; Sanford, W.; Whitaker, F.; Smart, P.

2001-01-01

Geothermal convection of seawater deep in carbonate platforms could provide the necessary supply of magnesium for dolomitization at temperatures high enough to overcome kinetic limitations. We used reactive-transport simulations to predict the rates and spatial patterns of dolomitization during geothermal convection in a platform that was 40 km across and 2 km thick. In the simulations, porosity and permeability decrease with depth to account for sediment compaction. Dolomitization of a platform consisting of medium grained (???0.05 mm) sediments occurred in a broad band ranging from ???2.5 km depth near the margin to ???1.5 km depth near the platform center. The area of dolomitization is deep enough that temperatures exceed ???50??C but not so deep that low permeabilities restrict mass transport. Complete dolomitization in the center of this zone is estimated to require at least 60 my. Incorporation of permeability contrasts, permeable beds, and reactive beds focused dolomitization strongly and reduced the estimated time required for dolomitization by as much as 50 percent. Dolomitization created magnesium-depleted, calcium-rich fluids in less than 10 ky, and results support a link between dolomitization and anhydrite precipitation where adequate sulfate is available.

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

An approach to modeling coupled thermal-hydraulic-chemical processes in geothermal systems

USGS Publications Warehouse

Palguta, Jennifer; Williams, Colin F.; Ingebritsen, Steven E.; Hickman, Stephen H.; Sonnenthal, Eric

2011-01-01

Interactions between hydrothermal fluids and rock alter mineralogy, leading to the formation of secondary minerals and potentially significant physical and chemical property changes. Reactive transport simulations are essential for evaluating the coupled processes controlling the geochemical, thermal and hydrological evolution of geothermal systems. The objective of this preliminary investigation is to successfully replicate observations from a series of hydrothermal laboratory experiments [Morrow et al., 2001] using the code TOUGHREACT. The laboratory experiments carried out by Morrow et al. [2001] measure permeability reduction in fractured and intact Westerly granite due to high-temperature fluid flow through core samples. Initial permeability and temperature values used in our simulations reflect these experimental conditions and range from 6.13 × 10−20 to 1.5 × 10−17 m2 and 150 to 300 °C, respectively. The primary mineralogy of the model rock is plagioclase (40 vol.%), K-feldspar (20 vol.%), quartz (30 vol.%), and biotite (10 vol.%). The simulations are constrained by the requirement that permeability, relative mineral abundances, and fluid chemistry agree with experimental observations. In the models, the granite core samples are represented as one-dimensional reaction domains. We find that the mineral abundances, solute concentrations, and permeability evolutions predicted by the models are consistent with those observed in the experiments carried out by Morrow et al. [2001] only if the mineral reactive surface areas decrease with increasing clay mineral abundance. This modeling approach suggests the importance of explicitly incorporating changing mineral surface areas into reactive transport models.

CIRF.B Reaction-Transport-Mechanical Simulator: Applications to CO2 Injection and Reservoir Integrity Prediction

NASA Astrophysics Data System (ADS)

Park, A. J.; Tuncay, K.; Ortoleva, P. J.

2003-12-01

An important component of CO2 sequestration in geologic formations is the reactions between the injected fluid and the resident geologic material. In particular, carbonate mineral reaction rates are several orders of magnitude faster than those of siliciclastic minerals. The reactions between resident and injected components can create complex flow regime modifications, and potentially undermine the reservoir integrity by changing their mineralogic and textural compositions on engineering time scale. This process can be further enhanced due to differences in pH and temperature of the injectant from the resident sediments and fluids. CIRF.B is a multi-process simulator originally developed for basin simulations. Implemented processes include kinetic and thermodynamic reactions between minerals and fluid, fluid flow, mass-transfer, composite-media approach to sediment textural description and dynamics, elasto-visco-plastic rheology, and fracturing dynamics. To test the feasibility of applying CIRF.B to CO2 sequestration, a number of engineering scale simulations are carried out to delineate the effects of changing injectant chemistry and injection rates on both carbonate and siliciclastic sediments. Initial findings indicate that even moderate amounts of CO2 introduced into sediments can create low pH environments, which affects feldspar-clay interactions. While the amount of feldspars reacting in engineering time scale may be small, its consequence to clay alteration and permeability modfication can be significant. Results also demonstrate that diffusion-imported H+ can affect sealing properties of both siliciclastic and carbonate formations. In carbonate systems significant mass transfer can occur due to dissolution and reprecipitation. The resulting shifts in in-situ stresses can be sufficient to initiate fracturing. These simulations allow characterization of injectant fluids, thus assisting in the implementation of effective sequestration procedures.

Hydrological and pesticide transfer modeling in a tropical volcanic watershed with the WATPPASS model

NASA Astrophysics Data System (ADS)

Mottes, Charles; Lesueur-Jannoyer, Magalie; Charlier, Jean-Baptiste; Carles, Céline; Guéné, Mathilde; Le Bail, Marianne; Malézieux, Eric

2015-10-01

Simulation of flows and pollutant transfers in heterogeneous media is widely recognized to be a remaining frontier in hydrology research. We present a new modeling approach to simulate agricultural pollutions in watersheds: WATPPASS, a model for Watershed Agricultural Techniques and Pesticide Practices ASSessment. It is designed to assess mean pesticide concentrations and loads that result from the use of pesticides in horticultural watersheds located on heterogeneous subsoil. WATPPASS is suited for small watershed with significant groundwater flows and complex aquifer systems. The model segments the watershed into fields with independent hydrological and pesticide transfers at the ground surface. Infiltrated water and pesticides are routed toward outlet using a conceptual reservoir model. We applied WATPPASS on a heterogeneous tropical volcanic watershed of Martinique in the French West Indies. We carried out and hydrological analysis that defined modeling constraints: (i) a spatial variability of runoff/infiltration partitioning according to land use, and (ii) a predominance of groundwater flow paths in two overlapping aquifers under permeable soils (50-60% of annual flows). We carried out simulations on a 550 days period at a daily time step for hydrology (Nashsqrt > 0.75). Weekly concentrations and loads of a persistent organic pesticide (chlordecone) were simulated for 67 weeks to evaluate the modeling approach. Pesticide simulations without specific calibration detected the mean long-term measured concentration, leading to a good quantification of the cumulative loads (5% error), but failed to represent the concentration peaks at the correct timing. Nevertheless, we succeed in adjusting the model structure to better represent the temporal dynamic of pesticide concentrations. This modification requires a proper evaluation on an independent dataset. Finally, WATPPASS is a compromise between complexity and easiness of use that makes it suited for cropping system assessment in complex pedological and geological environment.

Conductivity Evolution of Fracture Proppant in Partial Monolayers and Multilayers

NASA Astrophysics Data System (ADS)

Fan, M.; Han, Y.; McClure, J. E.; Chen, C.

2017-12-01

Proppant is a granular material, typically sand, coated sand, or man-made ceramic materials, which is widely used in hydraulic fracturing to keep the induced fractures open. Optimization of proppant placement in a hydraulic fracture, as well as its role on the fracture's conductivity, is vital for effective and economical production of petroleum hydrocarbons. In this research, a numerical modeling approach, combining Discrete Element Method (DEM) with lattice Boltzmann (LB) method, was adopted to advance the understanding of fracture conductivity as function of proppant concentration under various effective stresses. DEM was used to simulate effective stress increase and the resultant proppant particle compaction and rearrangement during the process of reservoir depletion due to hydrocarbon extraction. DEM-simulated pore structure was extracted and imported into the LB simulator as boundary conditions to calculate the time-dependent permeability of the proppant pack. We first validated the DEM-LB coupling workflow; the simulated proppant pack permeabilities as functions of effective stress were in good agreement with laboratory measurements. Next, several proppant packs were generated with various proppant concentrations, ranging from partial-monolayer to multilayer structures. Proppant concentration is defined as proppant mass per unit fracture face area. Fracture conductivity as function of proppant concentration was measured in LB simulations. It was found that a partial-monolayer proppant pack with large-diameter particles was optimal in maintaining sufficient conductivity while lowering production costs. Three proppant packs with the same average diameter but different diameter distributions were generated. Specifically, we used the coefficient of variation (COV) of diameter, defined as the ratio of standard deviation of diameter to mean diameter, to characterize the heterogeneity in particle size. We obtained proppant pack porosity, permeability, and fracture width reduction as functions of effective stress. Under the same effective stress, a proppant pack with a smaller diameter COV had higher porosity and permeability and smaller fracture width reduction, which are all favorable for maintaining the fracture conductivity during the process of hydrocarbon extraction.

Quantifying the Effects of Spatial Uncertainty in Fracture Permeability on CO2 Leakage through Columbia River Basalt Flow Interiors

NASA Astrophysics Data System (ADS)

Gierzynski, A.; Pollyea, R.

2016-12-01

Recent studies suggest that continental flood basalts may be suitable for geologic carbon sequestration, due to fluid-rock reactions that mineralize injected CO2 on relatively short time-scales. Flood basalts also possess a morphological structure conducive to injection, with alternating high-permeability (flow margin) and low-permeability (flow interior) layers. However, little information exists on the behavior of CO2 migration within field-scale fracture networks, particularly within flow interiors and at conditions near the critical point for CO2. In this study, numerical simulation is used to investigate the influence of fracture permeability uncertainty during gravity-driven CO2 migration within a jointed basalt flow interior as CO2 undergoes phase change from supercritical fluid to a subcritical phase. The model domain comprises a 2D fracture network mapped with terrestrial LiDAR scans of Columbia River Basalt acquired near Starbuck, WA. The model domain is 5 m × 5 m with bimodal heterogeneity (fracture and matrix), and initial conditions corresponding to a hydrostatic pressure gradient between 750 and 755 m depth. Under these conditions, the critical point for CO2 occurs 1.5 m above the bottom of the domain. For this model scenario, CO2 enters the base of the fracture network at 0.5 MPa overpressure, and matrix permeability is assumed constant. Fracture permeability follows a lognormal distribution on the basis of fracture aperture values from literature. In order to account for spatial uncertainty, the lognormal fracture permeability distribution is randomly located in the model domain and CO2 migration is simulated within the same fracture network for 50 equally probable realizations. Model results suggest that fracture connectivity, which is independent of permeability distribution, governs the path taken by buoyant CO2 as it rises through the flow interior; however, the permeability distribution strongly governs the CO2 flux magnitude. In particular, this research shows that even where fracture networks are sufficiently connected, CO2 flux is often inhibited by a cell of lower permeability, analogous to an obstruction or asperity in a natural fracture. This impresses the importance of considering spatial uncertainty in fracture apertures when modeling CO2 leakage through a caprock.

Shallow, non-pumped wells: a low-energy alternative for cleaning polluted groundwater.

PubMed

Hudak, Paul F

2013-07-01

This modeling study evaluated the capability of non-pumped wells with filter media for preventing contaminant plumes from migrating offsite. Linear configurations of non-pumped wells were compared to permeable reactive barriers in simulated shallow homogeneous and heterogeneous aquifers. While permeable reactive barriers enabled faster contaminant removal and shorter distances of contaminant travel, non-pumped wells also prevented offsite contaminant migration. Overall, results of this study suggest that discontinuous, linear configurations of non-pumped wells may be a viable alternative to much more costly permeable reactive barriers for preventing offsite contaminant travel in some shallow aquifers.

User`s guide for UTCHEM-5.32m a three dimensional chemical flood simulator. Final report, September 30, 1992--December 31, 1995

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

NONE

1996-07-01

UTCHEM is a three-dimensional chemical flooding simulator. The solution scheme is analogous to IMPES, where pressure is solved for implicitly, but concentrations rather than saturations are then solved for explicitly. Phase saturations and concentrations are then solved in a flash routine. An energy balance equation is solved explicitly for reservoir temperature. The energy balance equation includes heat flow between the reservoir and the over-and under-burden rocks. The major physical phenomena modeled in the simulator are: dispersion; dilution effects; adsorption; interfacial tension; relative permeability; capillary trapping; cation exchange; phase density; compositional phase viscosity; phase behavior (pseudoquaternary); aqueous reactions; partitioning of chemicalmore » species between oil and water; dissolution/precipitation; cation exchange reactions involving more than two cations; in-situ generation of surfactant from acidic crude oil; pH dependent adsorption; polymer properties: shear thinning viscosity; inaccessible pore volume; permeability reduction; adsorption; gel properties: viscosity; permeability reduction; adsorption; tracer properties: partitioning; adsorption; radioactive decay; reaction (ester hydrolization); temperature dependent properties: viscosity; tracer reaction; gel reactions The following options are available with UTCHEM: isothermal or non-isothermal conditions, a constant or variable time-step, constant pressure or constant rate well conditions, horizontal and vertical wells, and a radial or Cartesian geometry. Please refer to the dissertation {open_quotes}Field Scale Simulation of Chemical Flooding{close_quotes} by Naji Saad, August, 1989, for a more detailed discussion of the UTCHEM simulator and its formulation.« less

Experimental Microfracture Permeability Development in Crystalline Rocks Under Different Tectonic Stress Regimes

NASA Astrophysics Data System (ADS)

Faulkner, D. R.; Armitage, P. J.

2011-12-01

Geothermal fields rely on permeable fracture networks that can act for significant periods of time. In crystalline rocks, permeability may be stimulated by injections of fluid pressure at depth. We show how high-pressure laboratory experiments can be used to quantify the effects of different stress states on the permeability of two rocks; Darley Dale sandstone (~10-16 m2 permeability) and Westerly granite (~10-20 m2 permeability). It is well known that microfractures start to grow at stresses around one half of the failure stress. Failure in the experiments was reproduced in several ways: (1) by fixing σ3 and increasing σ1 - equivalent to a compressive or strike-slip tectonic regime (2) by fixing σ1 and decreasing σ3 - equivalent to an extensional tectonic regime (3) by increasing the pore fluid pressure at a fixed differential stress to simulate high pore fluid pressure failure, and (4) by fixing the mean stress while increasing σ1 and decreasing σ3 in sympathy. Permeability was monitored during all of these tests. From these tests we are able to quantify the relative contributions of mean stress, differential stress and pore fluid pressure on the permeability in the pre-failure region. This provides key data on the development of microfracture permeability that might be produced during the stimulation of geothermal fields during injection within different tectonic environments.

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.

Insights into the use of time-lapse GPR data as observations for inverse multiphase flow simulations of DNAPL migration

USGS Publications Warehouse

Johnson, R.H.; Poeter, E.P.

2007-01-01

Perchloroethylene (PCE) saturations determined from GPR surveys were used as observations for inversion of multiphase flow simulations of a PCE injection experiment (Borden 9??m cell), allowing for the estimation of optimal bulk intrinsic permeability values. The resulting fit statistics and analysis of residuals (observed minus simulated PCE saturations) were used to improve the conceptual model. These improvements included adjustment of the elevation of a permeability contrast, use of the van Genuchten versus Brooks-Corey capillary pressure-saturation curve, and a weighting scheme to account for greater measurement error with larger saturation values. A limitation in determining PCE saturations through one-dimensional GPR modeling is non-uniqueness when multiple GPR parameters are unknown (i.e., permittivity, depth, and gain function). Site knowledge, fixing the gain function, and multiphase flow simulations assisted in evaluating non-unique conceptual models of PCE saturation, where depth and layering were reinterpreted to provide alternate conceptual models. Remaining bias in the residuals is attributed to the violation of assumptions in the one-dimensional GPR interpretation (which assumes flat, infinite, horizontal layering) resulting from multidimensional influences that were not included in the conceptual model. While the limitations and errors in using GPR data as observations for inverse multiphase flow simulations are frustrating and difficult to quantify, simulation results indicate that the error and bias in the PCE saturation values are small enough to still provide reasonable optimal permeability values. The effort to improve model fit and reduce residual bias decreases simulation error even for an inversion based on biased observations and provides insight into alternate GPR data interpretations. Thus, this effort is warranted and provides information on bias in the observation data when this bias is otherwise difficult to assess. ?? 2006 Elsevier B.V. All rights reserved.

Simulation of saltwater movement in the Floridan aquifer system, Hilton Head Island, South Carolina

USGS Publications Warehouse

Bush, Peter W.

1988-01-01

Freshwater to supply Hilton Head Island, S.C., is obtained from the upper permeable zone of the Upper Floridan aquifer. Long-term pumping at Savannah, Ga., and the steadily increasing pumping on Hilton Head Island, have lowered Upper Floridan heads near the center of the island from about 10 feet above sea level to about 6 to 7 feet below sea level. The seaward hydraulic gradient that existed before pumping began has been reversed, thus increasing the potential for saltwater intrusion. Simulations of predevelopment, recent, and future ground-water flow in the Floridan aquifer system beneath the north end of Hilton Head Island and Port Royal Sound are presented. A finite-element model for fluid-density-dependent ground-water flow and solute transport was used in cross section. The general configuration of the simulated predevelopment flowfield is typical of a coastal aquifer having a seaward gradient in the freshwater. The freshwater flows toward Port Royal Sound over an intruding wedge of saltwater. The simulated flowfield at the end of 1983 shows that ground water in the Floridan aquifer system beneath most of Hilton Head Island has reversed its predevelopment direction and is moving toward Savannah. The distribution of chloride concentrations, based on simulation at the end of 1983, is about the same as the predevelopment distribution of chloride concentrations obtained from simulation. Results of two 50-year simulations from 1983 to 2034 suggest that there will be no significant threat of saltwater intrusion into the upper permeable zone of the Upper Floridan aquifer if heads on Hilton Head Island remain at current levels for the next 45 to 50 years. However, if head decline continues at the historical rate, any flow that presently occurs from the north end of the island toward Port Royal Sound will cease, allowing lateral intrusion of saltwater to proceed. Even under these conditions, chloride concentrations in the upper permeable zone of the Upper Floridan aquifer beneath Hilton Head Island should remain below 250 milligrams per liter for the next 45 to 50 years. Aquifer properties and selected boundary conditions were tested with several 1,000-year simulations which show that lateral permeability, transverse dispersivity, and landward boundary flow have the most influence on saltwater movement in the Upper Floridan aquifer.

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.

Fracture-permeability behavior of shale

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

Carey, J. William; Lei, Zhou; Rougier, Esteban

The fracture-permeability behavior of Utica shale, an important play for shale gas and oil, was investigated using a triaxial coreflood device and X-ray tomography in combination with finite-discrete element modeling (FDEM). Fractures generated in both compression and in a direct-shear configuration allowed permeability to be measured across the faces of cylindrical core. Shale with bedding planes perpendicular to direct-shear loading developed complex fracture networks and peak permeability of 30 mD that fell to 5 mD under hydrostatic conditions. Shale with bedding planes parallel to shear loading developed simple fractures with peak permeability as high as 900 mD. In addition tomore » the large anisotropy in fracture permeability, the amount of deformation required to initiate fractures was greater for perpendicular layering (about 1% versus 0.4%), and in both cases activation of existing fractures are more likely sources of permeability in shale gas plays or damaged caprock in CO₂ sequestration because of the significant deformation required to form new fracture networks. FDEM numerical simulations were able to replicate the main features of the fracturing processes while showing the importance of fluid penetration into fractures as well as layering in determining fracture patterns.« less

Fracture-permeability behavior of shale

DOE PAGES

Carey, J. William; Lei, Zhou; Rougier, Esteban; ...

2015-05-08

The fracture-permeability behavior of Utica shale, an important play for shale gas and oil, was investigated using a triaxial coreflood device and X-ray tomography in combination with finite-discrete element modeling (FDEM). Fractures generated in both compression and in a direct-shear configuration allowed permeability to be measured across the faces of cylindrical core. Shale with bedding planes perpendicular to direct-shear loading developed complex fracture networks and peak permeability of 30 mD that fell to 5 mD under hydrostatic conditions. Shale with bedding planes parallel to shear loading developed simple fractures with peak permeability as high as 900 mD. In addition tomore » the large anisotropy in fracture permeability, the amount of deformation required to initiate fractures was greater for perpendicular layering (about 1% versus 0.4%), and in both cases activation of existing fractures are more likely sources of permeability in shale gas plays or damaged caprock in CO₂ sequestration because of the significant deformation required to form new fracture networks. FDEM numerical simulations were able to replicate the main features of the fracturing processes while showing the importance of fluid penetration into fractures as well as layering in determining fracture patterns.« less

Discontinuities in effective permeability due to fracture percolation

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

Hyman, Jeffrey De'Haven; Karra, Satish; Carey, James William

Motivated by a triaxial coreflood experiment with a sample of Utica shale where an abrupt jump in permeability was observed, possibly due to the creation of a percolating fracture network through the sample, we perform numerical simulations based on the experiment to characterize how the effective permeability of otherwise low-permeability porous media depends on fracture formation, connectivity, and the contrast between the fracture and matrix permeabilities. While a change in effective permeability due to fracture formation is expected, the dependence of its magnitude upon the contrast between the matrix permeability and fracture permeability and the fracture network structure is poorlymore » characterized. We use two different high-fidelity fracture network models to characterize how effective permeability changes as percolation occurs. The first is a dynamic two-dimensional fracture propagation model designed to mimic the laboratory settings of the experiment. The second is a static three-dimensional discrete fracture network (DFN) model, whose fracture and network statistics are based on the fractured sample of Utica shale. Once the network connects the inflow and outflow boundaries, the effective permeability increases non-linearly with network density. In most networks considered, a jump in the effective permeability was observed when the embedded fracture network percolated. We characterize how the magnitude of the jump, should it occur, depends on the contrast between the fracture and matrix permeabilities. For small contrasts between the matrix and fracture permeabilities the change is insignificant. However, for larger contrasts, there is a substantial jump whose magnitude depends non-linearly on the difference between matrix and fracture permeabilities. A power-law relationship between the size of the jump and the difference between the matrix and fracture permeabilities is observed. In conclusion, the presented results underscore the importance of fracture network topology on the upscaled properties of the porous medium in which it is embedded.« less

Discontinuities in effective permeability due to fracture percolation

DOE PAGES

Hyman, Jeffrey De'Haven; Karra, Satish; Carey, James William; ...

2018-01-31

Motivated by a triaxial coreflood experiment with a sample of Utica shale where an abrupt jump in permeability was observed, possibly due to the creation of a percolating fracture network through the sample, we perform numerical simulations based on the experiment to characterize how the effective permeability of otherwise low-permeability porous media depends on fracture formation, connectivity, and the contrast between the fracture and matrix permeabilities. While a change in effective permeability due to fracture formation is expected, the dependence of its magnitude upon the contrast between the matrix permeability and fracture permeability and the fracture network structure is poorlymore » characterized. We use two different high-fidelity fracture network models to characterize how effective permeability changes as percolation occurs. The first is a dynamic two-dimensional fracture propagation model designed to mimic the laboratory settings of the experiment. The second is a static three-dimensional discrete fracture network (DFN) model, whose fracture and network statistics are based on the fractured sample of Utica shale. Once the network connects the inflow and outflow boundaries, the effective permeability increases non-linearly with network density. In most networks considered, a jump in the effective permeability was observed when the embedded fracture network percolated. We characterize how the magnitude of the jump, should it occur, depends on the contrast between the fracture and matrix permeabilities. For small contrasts between the matrix and fracture permeabilities the change is insignificant. However, for larger contrasts, there is a substantial jump whose magnitude depends non-linearly on the difference between matrix and fracture permeabilities. A power-law relationship between the size of the jump and the difference between the matrix and fracture permeabilities is observed. In conclusion, the presented results underscore the importance of fracture network topology on the upscaled properties of the porous medium in which it is embedded.« less

Numerical simulation of the free surface and water inflow of a slope, considering the nonlinear flow properties of gravel layers: a case study

NASA Astrophysics Data System (ADS)

Yang, Bin; Yang, Tianhong; Xu, Zenghe; Liu, Honglei; Shi, Wenhao; Yang, Xin

2018-02-01

Groundwater is an important factor of slope stability, and 90% of slope failures are related to the influence of groundwater. In the past, free surface calculations and the prediction of water inflow were based on Darcy's law. However, Darcy's law for steady fluid flow is a special case of non-Darcy flow, and many types of non-Darcy flows occur in practical engineering applications. In this paper, based on the experimental results of laboratory water seepage tests, the seepage state of each soil layer in the open-pit slope of the Yanshan Iron Mine, China, were determined, and the seepage parameters were obtained. The seepage behaviour in the silt layer, fine sand layer, silty clay layer and gravelly clay layer followed the traditional Darcy law, while the gravel layers showed clear nonlinear characteristics. The permeability increases exponentially and the non-Darcy coefficient decreases exponentially with an increase in porosity, and the relation among the permeability, the porosity and the non-Darcy coefficient is investigated. A coupled mathematical model is established for two flow fields, on the basis of Darcy flow in the low-permeability layers and Forchheimer flow in the high-permeability layers. In addition, the effect of the seepage in the slope on the transition from Darcy flow to Forchheimer flow was considered. Then, a numerical simulation was conducted by using finite-element software (FELAC 2.2). The results indicate that the free surface calculated by the Darcy-Forchheimer model is in good agreement with the in situ measurements; however, there is an evident deviation of the simulation results from the measured data when the Darcy model is used. Through a parameter sensitivity analysis of the gravel layers, it can be found that the height of the overflow point and the water inflow calculated by the Darcy-Forchheimer model are consistently less than those of the Darcy model, and the discrepancy between these two models increases as the permeability increases. The necessity of adopting the Darcy-Forchheimer model was explained. The Darcy-Forchheimer model would be applicable in slope engineering applications with highly permeable rock.

Numerical simulation of the free surface and water inflow of a slope, considering the nonlinear flow properties of gravel layers: a case study.

PubMed

Yang, Bin; Yang, Tianhong; Xu, Zenghe; Liu, Honglei; Shi, Wenhao; Yang, Xin

2018-02-01

Groundwater is an important factor of slope stability, and 90% of slope failures are related to the influence of groundwater. In the past, free surface calculations and the prediction of water inflow were based on Darcy's law. However, Darcy's law for steady fluid flow is a special case of non-Darcy flow, and many types of non-Darcy flows occur in practical engineering applications. In this paper, based on the experimental results of laboratory water seepage tests, the seepage state of each soil layer in the open-pit slope of the Yanshan Iron Mine, China, were determined, and the seepage parameters were obtained. The seepage behaviour in the silt layer, fine sand layer, silty clay layer and gravelly clay layer followed the traditional Darcy law, while the gravel layers showed clear nonlinear characteristics. The permeability increases exponentially and the non-Darcy coefficient decreases exponentially with an increase in porosity, and the relation among the permeability, the porosity and the non-Darcy coefficient is investigated. A coupled mathematical model is established for two flow fields, on the basis of Darcy flow in the low-permeability layers and Forchheimer flow in the high-permeability layers. In addition, the effect of the seepage in the slope on the transition from Darcy flow to Forchheimer flow was considered. Then, a numerical simulation was conducted by using finite-element software (FELAC 2.2). The results indicate that the free surface calculated by the Darcy-Forchheimer model is in good agreement with the in situ measurements; however, there is an evident deviation of the simulation results from the measured data when the Darcy model is used. Through a parameter sensitivity analysis of the gravel layers, it can be found that the height of the overflow point and the water inflow calculated by the Darcy-Forchheimer model are consistently less than those of the Darcy model, and the discrepancy between these two models increases as the permeability increases. The necessity of adopting the Darcy-Forchheimer model was explained. The Darcy-Forchheimer model would be applicable in slope engineering applications with highly permeable rock.

Numerical simulation of the free surface and water inflow of a slope, considering the nonlinear flow properties of gravel layers: a case study

PubMed Central

Yang, Bin; Xu, Zenghe; Liu, Honglei; Shi, Wenhao; Yang, Xin

2018-01-01

Groundwater is an important factor of slope stability, and 90% of slope failures are related to the influence of groundwater. In the past, free surface calculations and the prediction of water inflow were based on Darcy's law. However, Darcy's law for steady fluid flow is a special case of non-Darcy flow, and many types of non-Darcy flows occur in practical engineering applications. In this paper, based on the experimental results of laboratory water seepage tests, the seepage state of each soil layer in the open-pit slope of the Yanshan Iron Mine, China, were determined, and the seepage parameters were obtained. The seepage behaviour in the silt layer, fine sand layer, silty clay layer and gravelly clay layer followed the traditional Darcy law, while the gravel layers showed clear nonlinear characteristics. The permeability increases exponentially and the non-Darcy coefficient decreases exponentially with an increase in porosity, and the relation among the permeability, the porosity and the non-Darcy coefficient is investigated. A coupled mathematical model is established for two flow fields, on the basis of Darcy flow in the low-permeability layers and Forchheimer flow in the high-permeability layers. In addition, the effect of the seepage in the slope on the transition from Darcy flow to Forchheimer flow was considered. Then, a numerical simulation was conducted by using finite-element software (FELAC 2.2). The results indicate that the free surface calculated by the Darcy–Forchheimer model is in good agreement with the in situ measurements; however, there is an evident deviation of the simulation results from the measured data when the Darcy model is used. Through a parameter sensitivity analysis of the gravel layers, it can be found that the height of the overflow point and the water inflow calculated by the Darcy–Forchheimer model are consistently less than those of the Darcy model, and the discrepancy between these two models increases as the permeability increases. The necessity of adopting the Darcy–Forchheimer model was explained. The Darcy–Forchheimer model would be applicable in slope engineering applications with highly permeable rock. PMID:29515904

Finite element modeling of self-potential signals over conduits and fractures in covered karst terrain Peter Bumpus and Sarah Kruse

NASA Astrophysics Data System (ADS)

Bumpus, P. B.; Kruse, S. E.

2013-12-01

A year of continuous monitoring with two grids of 12-15 electrodes each measured self-potential (SP) over two small covered-karst conduits in Tampa, Florida. Positive and negative SP anomalies episodically manifested over conduits, suggesting that conduit flow is dynamic, not static. Various SP flow regimes in the conduits are postulated: flow in the conduit is faster than through surrounding surficial sediment, flow in the conduit is slower than through surrounding sediment, and conduit flow rates match those through the surrounding sediments. It is further postulated that conduits change permeability with inflow and washing out of sediment, especially associated with rain events. Numerical simulations of the postulated flow regimes were run with 2D simulations using the Comsol finite element modeling code. Simulations show that each regime produces different SP patterns. Models simulate the Tampa field setting in which a 1-2 meter-thick high permeability sand layer overlies a low-permeability clay-rich layer. A funnel-shaped conduit breaches both layers. In the models, when the permeability of the conduit sands is equal to surrounding surficial sands, a small (several mV) negative anomaly manifests locally at the conduit. This negative anomaly can be explained as the result of the depression of the SPS surface (the first sediment surface with a change in conductance or streaming potential coefficient) in the conduit. However a permeability difference of as little as 5 to 20 percent between conduit and background can cause an SP anomaly of tens to several hundred millivolts, either positive or negative. When the permeability is higher in the conduit than the surficial sands, lateral flow into the conduit within the sand layer and through the conduit to the underlying aquifer are both high, and the SP signal over the conduit is positive. This may contradict the concept exemplified in other studies that downward flow creates a negative anomaly. In our case the positive voltage is the result of high lateral flow toward a high flux conduit. As a result, the horizontal dimension of the conduit plays a role in whether a positive or negative anomaly is observed locally near the surface, depending on the degree to which the terminus of the inward lateral flow affects voltage over the conduit center. When the conduit has lower permeability than surrounding surficial sediment, models show that the SP anomaly is negative. In this case lateral flow is small to a low-flux conduit and there is little build-up of positive SP to overcome the negative potential associated with the SPS trough.

Finite difference modelling of dipole acoustic logs in a poroelastic formation with anisotropic permeability

NASA Astrophysics Data System (ADS)

He, Xiao; Hu, Hengshan; Wang, Xiuming

2013-01-01

Sedimentary rocks can exhibit strong permeability anisotropy due to layering, pre-stresses and the presence of aligned microcracks or fractures. In this paper, we develop a modified cylindrical finite-difference algorithm to simulate the borehole acoustic wavefield in a saturated poroelastic medium with transverse isotropy of permeability and tortuosity. A linear interpolation process is proposed to guarantee the leapfrog finite difference scheme for the generalized dynamic equations and Darcy's law for anisotropic porous media. First, the modified algorithm is validated by comparison against the analytical solution when the borehole axis is parallel to the symmetry axis of the formation. The same algorithm is then used to numerically model the dipole acoustic log in a borehole with its axis being arbitrarily deviated from the symmetry axis of transverse isotropy. The simulation results show that the amplitudes of flexural modes vary with the dipole orientation because the permeability tensor of the formation is dependent on the wellbore azimuth. It is revealed that the attenuation of the flexural wave increases approximately linearly with the radial permeability component in the direction of the transmitting dipole. Particularly, when the borehole axis is perpendicular to the symmetry axis of the formation, it is possible to estimate the anisotropy of permeability by evaluating attenuation of the flexural wave using a cross-dipole sonic logging tool according to the results of sensitivity analyses. Finally, the dipole sonic logs in a deviated borehole surrounded by a stratified porous formation are modelled using the proposed finite difference code. Numerical results show that the arrivals and amplitudes of transmitted flexural modes near the layer interface are sensitive to the wellbore inclination.

Maximization of permanent trapping of CO{sub 2} and co-contaminants in the highest-porosity formations of the Rock Springs Uplift (Southwest Wyoming): experimentation and multi-scale modeling

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

Piri, Mohammad

2014-03-31

Under this project, a multidisciplinary team of researchers at the University of Wyoming combined state-of-the-art experimental studies, numerical pore- and reservoir-scale modeling, and high performance computing to investigate trapping mechanisms relevant to geologic storage of mixed scCO{sub 2} in deep saline aquifers. The research included investigations in three fundamental areas: (i) the experimental determination of two-phase flow relative permeability functions, relative permeability hysteresis, and residual trapping under reservoir conditions for mixed scCO{sub 2}-­brine systems; (ii) improved understanding of permanent trapping mechanisms; (iii) scientifically correct, fine grid numerical simulations of CO{sub 2} storage in deep saline aquifers taking into account themore » underlying rock heterogeneity. The specific activities included: (1) Measurement of reservoir-­conditions drainage and imbibition relative permeabilities, irreducible brine and residual mixed scCO{sub 2} saturations, and relative permeability scanning curves (hysteresis) in rock samples from RSU; (2) Characterization of wettability through measurements of contact angles and interfacial tensions under reservoir conditions; (3) Development of physically-­based dynamic core-­scale pore network model; (4) Development of new, improved high-­performance modules for the UW-­team simulator to provide new capabilities to the existing model to include hysteresis in the relative permeability functions, geomechanical deformation and an equilibrium calculation (Both pore-­ and core-­scale models were rigorously validated against well-­characterized core-­ flooding experiments); and (5) An analysis of long term permanent trapping of mixed scCO{sub 2} through high-­resolution numerical experiments and analytical solutions. The analysis takes into account formation heterogeneity, capillary trapping, and relative permeability hysteresis.« less

Influence of relative permeabilities on chemical enhanced oil recovery

NASA Astrophysics Data System (ADS)

Destefanis, M. F.; Savioli, G. B.

2011-05-01

The main objective of chemical flooding is to mobilize the trapped oil remaining after a secondary recovery by waterflooding. This purpose is achieved by lowering the oil-water interfacial tension and producing partial miscibility between both phases. The chemical partition among phases (phase behavior) influences all other physical properties. In particular, it affects residual saturations determining relative permeability curves. Relative permeabilities rule the flow of each phase through the porous medium, so they play an essential role in oil recovery. Therefore, in this work we study the influence of relative permeabilities on the behavior of a surfactant-polymer flooding for the three different types of phase behavior. This analysis is performed applying the 3D compositional numerical simulator UTCHEM developed at the University of Texas at Austin. From the examples studied, we conclude that the influence of relative permeabilities depends on the type of phase behavior, i.e., as microemulsion relative permeability decreases, oil recovery increases for Types II(+) and III while slightly decreases for Type II(-). Moreover, a better displacement efficiency is observed for Types II(+) and III, because they behave similarly to a miscible displacement.

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.

Gaussian process emulators for quantifying uncertainty in CO2 spreading predictions in heterogeneous media

NASA Astrophysics Data System (ADS)

Tian, Liang; Wilkinson, Richard; Yang, Zhibing; Power, Henry; Fagerlund, Fritjof; Niemi, Auli

2017-08-01

We explore the use of Gaussian process emulators (GPE) in the numerical simulation of CO2 injection into a deep heterogeneous aquifer. The model domain is a two-dimensional, log-normally distributed stochastic permeability field. We first estimate the cumulative distribution functions (CDFs) of the CO2 breakthrough time and the total CO2 mass using a computationally expensive Monte Carlo (MC) simulation. We then show that we can accurately reproduce these CDF estimates with a GPE, using only a small fraction of the computational cost required by traditional MC simulation. In order to build a GPE that can predict the simulator output from a permeability field consisting of 1000s of values, we use a truncated Karhunen-Loève (K-L) expansion of the permeability field, which enables the application of the Bayesian functional regression approach. We perform a cross-validation exercise to give an insight of the optimization of the experiment design for selected scenarios: we find that it is sufficient to use 100s values for the size of training set and that it is adequate to use as few as 15 K-L components. Our work demonstrates that GPE with truncated K-L expansion can be effectively applied to uncertainty analysis associated with modelling of multiphase flow and transport processes in heterogeneous media.

Simulation and Evaluation of Low Impact Development of Urban Residential District Based on SWMM and GIS

NASA Astrophysics Data System (ADS)

Huang, Tielan; Wang, Yunpeng; Zhang, Jinlan

2017-07-01

In this study, simulation and evaluation of low impact development in resident district was carried out based on Storm Water Management Model (SWMM) and GIS method. In the evaluation model, we added 3 kinds of low impact development facilities, namely permeable pavement, rainwater garden, and green roof. These facilities are used alone or in combination. The model was run under five different rainfall reappearing periods. The simulation results using low impact development facilities were compared with simulation results under the current situation and undeveloped state. The results show that the total amount of runoff was greatly reduced by using various types of low impact development facilities in the urban residential district. The maximum reduction rate was using permeable pavement, reached 29.9%, followed was using rainwater garden, and the worst was using green roof. The lowest cost of reduction of the total amount of runoff was using permeable pavement, the followed was using rainwater garden, and the highest was using green roof. The combination scheme of various low impact development facilities has the highest efficiency of reducing total amount of runoff, and the lowest cost, which considering of the actual situation of the study area. The study indicated that application of low impact development facilities can reduce surface runoff effectively, which should be a useful way for prevention of urban waterlogging.

Understanding heat and groundwater flow through continental flood basalt provinces: insights gained from alternative models of permeability/depth relationships for the Columbia Plateau, USA

USGS Publications Warehouse

Burns, Erick R.; Williams, Colin F.; Ingebritsen, Steven E.; Voss, Clifford I.; Spane, Frank A.; DeAngelo, Jacob

2015-01-01

Heat-flow mapping of the western USA has identified an apparent low-heat-flow anomaly coincident with the Columbia Plateau Regional Aquifer System, a thick sequence of basalt aquifers within the Columbia River Basalt Group (CRBG). A heat and mass transport model (SUTRA) was used to evaluate the potential impact of groundwater flow on heat flow along two different regional groundwater flow paths. Limited in situ permeability (k) data from the CRBG are compatible with a steep permeability decrease (approximately 3.5 orders of magnitude) at 600–900 m depth and approximately 40°C. Numerical simulations incorporating this permeability decrease demonstrate that regional groundwater flow can explain lower-than-expected heat flow in these highly anisotropic (kx/kz ~ 104) continental flood basalts. Simulation results indicate that the abrupt reduction in permeability at approximately 600 m depth results in an equivalently abrupt transition from a shallow region where heat flow is affected by groundwater flow to a deeper region of conduction-dominated heat flow. Most existing heat-flow measurements within the CRBG are from shallower than 600 m depth or near regional groundwater discharge zones, so that heat-flow maps generated using these data are likely influenced by groundwater flow. Substantial k decreases at similar temperatures have also been observed in the volcanic rocks of the adjacent Cascade Range volcanic arc and at Kilauea Volcano, Hawaii, where they result from low-temperature hydrothermal alteration.

Simultaneous acquisition of perfusion and permeability from corrected relaxation rates with dynamic susceptibility contrast dual gradient echo.

PubMed

Kim, Eun-Ju; Kim, Dae-Hong; Lee, Sang Hoon; Huh, Yong-Min; Song, Ho-Taek; Suh, Jin-Suck

2004-04-01

This study compared two methods, corrected (separation of T(1) and T(2)* effects) and uncorrected, in order to determine the suitability of the perfusion and permeability measures through Delta R(2)* and Delta R(1) analyses. A dynamic susceptibility contrast dual gradient echo (DSC-DGE) was used to image the fixed phantoms and flow phantoms (Sephadex perfusion phantoms and dialyzer phantom for the permeability measurements). The results confirmed that the corrected relaxation rate was linearly proportional to gadolinium-diethyltriamine pentaacetic acid (Gd-DTPA) concentration, whereas the uncorrected relaxation rate did not in the fixed phantom and simulation experiments. For the perfusion measurements, it was found that the correction process was necessary not only for the Delta R(1) time curve but also for the Delta R(2)* time curve analyses. Perfusion could not be measured without correcting the Delta R(2)* time curve. The water volume, which was expressed as the perfusion amount, was found to be closer to the theoretical value when using the corrected Delta R(1) curve in the calculations. However, this may occur in the low concentration of Gd-DTPA in tissue used in this study. For the permeability measurements based on the two-compartment model, the permeability factor (k(ev); e = extravascular, v = vascular) from the outside to the inside of the hollow fibers was greater in the corrected Delta R(1) method than in the uncorrected Delta R(1) method. The differences between the corrected and the uncorrected Delta R(1) values were confirmed by the simulation experiments. In conclusion, this study proposes that the correction for the relaxation rates, Delta R(2)* and Delta R(1), is indispensable in making accurate perfusion and permeability measurements, and that DSC-DGE is a useful method for obtaining information on perfusion and permeability, simultaneously.

Fluid flow and coupled poroelastic response in low-permeability rocks

NASA Astrophysics Data System (ADS)

Hasanov, A.; Prasad, M.

2015-12-01

Hydraulic transport properties of reservoir rocks are traditionally defined as rock properties, responsiblefor the passage of fluids through the porous rock sample, as well as their storage. These properties arealso called permeability and storage capacity. The evaluation of both is an important part of any reservoircharacterization workflow. A vivid example of the importance of the transport properties is the bloomingbusiness of unconventional oil and gas production. Tight formations with ultra-low permeabilities and storagecapacities, which have never been perceived as reservoir rocks, today are actively exploited for oil and gas.This tremendous achievement in petroleum science and technology was only possible due to hydraulic frac-turing, which is essentially a process of enhancing permeability and storage capacity by creating a swarmof microcracks in the rock. The knowledge of hydraulic and poroelastic properties is also essential for proper simulations of diffusive pore fluidflow in petroleum reservoirs, as well as aquifers. This work is devoted to an integrated study of low-permeability rocks' hydraulic and poroe-lastic properties as measured with the oscillating pore pressure experiment. The oscillating pore pressuremethod is traditionally used to measure hydraulic transport properties. We modified the method and builtan experimental setup, capable of measuring all aforementioned rock properties simultaneously. The mea-surements were carried out for four sub-millidarcy rock samples at a range of oscillationfrequencies and effective stresses. An apparent frequency dependence of permeability was observed. Measured frequency dispersion of drained poroelastic propertiesindicates an intrinsically inelastic nature of the porous mineral rock frame. Standard Linear Model demon-strated the best fit to the experimental dispersion data. We established that hydraulically-measured storage capacitiesare in good agreement with elastically-derived ones. We also introduce a novel method, which allowedus to estimate the permeability from the full range of acquired frequency data by utilizing a nonlinear least-squares regression. The results of numerical simulation of oscillatory fluid flow confirm both the analyticalsolution and the experimental data.

Movement of NH3 through the human urea transporter B: a new gas channel

PubMed Central

Musa-Aziz, Raif; Enkavi, Giray; Mahinthichaichan, P.; Tajkhorshid, Emad; Boron, Walter F.

2013-01-01

Aquaporins and Rh proteins can function as gas (CO2 and NH3) channels. The present study explores the urea, H2O, CO2, and NH3 permeability of the human urea transporter B (UT-B) (SLC14A1), expressed in Xenopus oocytes. We monitored urea uptake using [14C]urea and measured osmotic water permeability (Pf) using video microscopy. To obtain a semiquantitative measure of gas permeability, we used microelectrodes to record the maximum transient change in surface pH (ΔpHS) caused by exposing oocytes to 5% CO2/33 mM HCO3− (pHS increase) or 0.5 mM NH3/NH4+ (pHS decrease). UT-B expression increased oocyte permeability to urea by >20-fold, and Pf by 8-fold vs. H2O-injected control oocytes. UT-B expression had no effect on the CO2-induced ΔpHS but doubled the NH3-induced ΔpHS. Phloretin reduced UT-B-dependent urea uptake (Jurea*) by 45%, Pf* by 50%, and (−ΔpHS*)NH3 by 70%. p-Chloromercuribenzene sulfonate reduced Jurea* by 25%, Pf* by 30%, and (ΔpHS*)NH3 by 100%. Molecular dynamics (MD) simulations of membrane-embedded models of UT-B identified the monomeric UT-B pores as the main conduction pathway for both H2O and NH3 and characterized the energetics associated with permeation of these species through the channel. Mutating each of two conserved threonines lining the monomeric urea pores reduced H2O and NH3 permeability. Our data confirm that UT-B has significant H2O permeability and for the first time demonstrate significant NH3 permeability. Thus the UTs become the third family of gas channels. Inhibitor and mutagenesis studies and results of MD simulations suggest that NH3 and H2O pass through the three monomeric urea channels in UT-B. PMID:23552862

Simulation of gas flow in micro-porous media with the regularized lattice Boltzmann method

DOE PAGES

Wang, Junjian; Kang, Qinjun; Wang, Yuzhu; ...

2017-06-01

One primary challenge for prediction of gas flow in the unconventional gas reservoir at the pore-scale such as shale and tight gas reservoirs is the geometric complexity of the micro-porous media. In this paper, a regularized multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is applied to analyze gas flow in 2-dimensional micro-porous medium reconstructed by quartet structure generation set (QSGS) on pore-scale. In this paper, the velocity distribution inside the porous structure is presented and analyzed, and the effects of the porosity and specific surface area on the rarefied gas flow and apparent permeability are examined and investigated. The simulation resultsmore » indicate that the gas exhibits different flow behaviours at various pressure conditions and the gas permeability is strongly related to the pressure. Finally, the increased porosity or the decreased specific surface area leads to the increase of the gas apparent permeability, and the gas flow is more sensitive to the pore morphological properties at low-pressure conditions.« less

Simulation of gas flow in micro-porous media with the regularized lattice Boltzmann method

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

Wang, Junjian; Kang, Qinjun; Wang, Yuzhu

One primary challenge for prediction of gas flow in the unconventional gas reservoir at the pore-scale such as shale and tight gas reservoirs is the geometric complexity of the micro-porous media. In this paper, a regularized multiple-relaxation-time (MRT) lattice Boltzmann (LB) model is applied to analyze gas flow in 2-dimensional micro-porous medium reconstructed by quartet structure generation set (QSGS) on pore-scale. In this paper, the velocity distribution inside the porous structure is presented and analyzed, and the effects of the porosity and specific surface area on the rarefied gas flow and apparent permeability are examined and investigated. The simulation resultsmore » indicate that the gas exhibits different flow behaviours at various pressure conditions and the gas permeability is strongly related to the pressure. Finally, the increased porosity or the decreased specific surface area leads to the increase of the gas apparent permeability, and the gas flow is more sensitive to the pore morphological properties at low-pressure conditions.« less

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

Simulating smokers' acceptance of modifications in a cessation program.

PubMed Central

Spoth, R

1992-01-01

Recent research has underscored the importance of assessing barriers to smokers' acceptance of cessation programs. This paper illustrates the use of computer simulations to gauge smokers' response to program modifications which may produce barriers to participation. It also highlights methodological issues encountered in conducting this work. Computer simulations were based on conjoint analysis, a consumer research method which enables measurement of smokers' relative preference for various modifications of cessation programs. Results from two studies are presented in this paper. The primary study used a randomly selected sample of 218 adult smokers who participated in a computer-assisted phone interview. Initially, the study assessed smokers' relative utility rating of 30 features of cessation programs. Utility data were used in computer-simulated comparisons of a low-cost, self-help oriented program under development and five other existing programs. A baseline version of the program under development and two modifications (for example, use of a support group with a higher level of cost) were simulated. Both the baseline version and modifications received a favorable response vis-à-vis comparison programs. Modifications requiring higher program costs were, however, associated with moderately reduced levels of favorable consumer response. The second study used a sample of 70 smokers who responded to an expanded set of smoking cessation program features focusing on program packaging. This secondary study incorporate in-person, computer-assisted interviews at a shopping mall, with smokers viewing an artist's mock-up of various program options on display. A similar pattern of responses to simulated program modifications emerged, with monetary cost apparently playing a key role. The significance of conjoint-based computer simulation as a tool in program development or dissemination, salient methodological issues, and implications for further research are discussed. PMID:1738813

Simulating smokers' acceptance of modifications in a cessation program.

PubMed

Spoth, R

1992-01-01

Recent research has underscored the importance of assessing barriers to smokers' acceptance of cessation programs. This paper illustrates the use of computer simulations to gauge smokers' response to program modifications which may produce barriers to participation. It also highlights methodological issues encountered in conducting this work. Computer simulations were based on conjoint analysis, a consumer research method which enables measurement of smokers' relative preference for various modifications of cessation programs. Results from two studies are presented in this paper. The primary study used a randomly selected sample of 218 adult smokers who participated in a computer-assisted phone interview. Initially, the study assessed smokers' relative utility rating of 30 features of cessation programs. Utility data were used in computer-simulated comparisons of a low-cost, self-help oriented program under development and five other existing programs. A baseline version of the program under development and two modifications (for example, use of a support group with a higher level of cost) were simulated. Both the baseline version and modifications received a favorable response vis-à-vis comparison programs. Modifications requiring higher program costs were, however, associated with moderately reduced levels of favorable consumer response. The second study used a sample of 70 smokers who responded to an expanded set of smoking cessation program features focusing on program packaging. This secondary study incorporate in-person, computer-assisted interviews at a shopping mall, with smokers viewing an artist's mock-up of various program options on display. A similar pattern of responses to simulated program modifications emerged, with monetary cost apparently playing a key role. The significance of conjoint-based computer simulation as a tool in program development or dissemination, salient methodological issues, and implications for further research are discussed.

On the impact of spatial heterogeneous permeability distributions on the development of free convection cells in the Perth Basin, Australia.

NASA Astrophysics Data System (ADS)

Niederau, Jan; Ebigbo, Anozie; Freitag, Sebastian; Marquart, Gabriele; Clauser, Christoph

2014-05-01

Recent increase in exploration of the geothermal energy potential of the Perth Metropolitan Area (PMA) results in the need for reliable and robust reservoir models in order to explore rock properties and temperature distributions in the subsurface, where free convection in the main reservoir (Yarragadee Aquifer) is likely to occur [1]. While the structure of the Perth Basin has been refined recently, the heterogeneity and spatial complexity of permeability was up till now mainly neglected. An integrated, three dimensional tectonostratigraphic model of the PMA is constructed, using the modeling software '3D GeoModeller' and data of numerous artesian and petroleum wells. Comprising the region around the city of Perth, the model covers an area of about 5000 km2 up to a depth of 4.5 km, with focus on adequate representation of the main reservoir. We further construct a numerical model for fluid flow and heat transport in the Yarragadee Aquifer. Porosity distributions are deduced from well logs and linked to permeability by a calibrated correlation, based on a fractal approach. Three different cases are simulated using the FD code SHEMAT-Suite, in order to assess the influence of spatial heterogeneity of porosity and permeability on the development of free convection cells. constant porosity and permeability for the entire aquifer porosity and permeability decreasing with depth, thus reflecting compaction a conditional random permeability field within prescribed limits and for given correlation length In order to improve understanding of model correctness, as well as identification and comparison of convection cells in different simulations, we are developing a specialized visualization tool tailored to this purpose. The three different scenarios show distinctions in the distribution of convection cells. Where the Yarragadee Aquifer is in contact with overlying aquifers, regions of downflow develop. These in turn have a strong impact on the regional flow field and therefore temperature. The heterogeneous distribution of permeability seems to control the convection pattern on a smaller scale. References [1] Schilling, O., Sheldon, H.A., Reid, L.B., Corbel, S. 2013. Hydrothermal models of the Perth metropolitan area, Western Australia: implications for geothermal energy. Hydrogeology Journal, Vol. 21, 605-621.

Prominence of ichnologically influenced macroporosity in the karst Biscayne aquifer: Stratiform "super-K" zones

USGS Publications Warehouse

Cunningham, K.J.; Sukop, M.C.; Huang, H.; Alvarez, P.F.; Curran, H.A.; Renken, R.A.; Dixon, J.F.

2009-01-01

A combination of cyclostratigraphic, ichnologic, and borehole geophysical analyses of continuous core holes; tracer-test analyses; and lattice Boltzmann flow simulations was used to quantify biogenic macroporosity and permeability of the Biscayne aquifer, southeastern Florida. Biogenic macroporosity largely manifests as: (1) ichnogenic macroporosity primarily related to postdepositional burrowing activity by callianassid shrimp and fossilization of components of their complex burrow systems (Ophiomorpha); and (2) biomoldic macroporosity originating from dissolution of fossil hard parts, principally mollusk shells. Ophiomorpha-dominated ichno-fabric provides the greatest contribution to hydrologic characteristics in the Biscayne aquifer in a 345 km2 study area. Stratiform tabular-shaped units of thalassinidean-associated macroporosity are commonly confined to the lower part of upward-shallowing high-frequency cycles, throughout aggradational cycles, and, in one case, they stack vertically within the lower part of a high-frequency cycle set. Broad continuity of many of the macroporous units concentrates groundwater flow in extremely permeable passage-ways, thus making the aquifer vulnerable to long-distance transport of contaminants. Ichnogenic macroporosity represents an alternative pathway for concentrated groundwater flow that differs considerably from standard karst flow-system paradigms, which describe groundwater movement through fractures and cavernous dissolution features. Permeabilities were calculated using lattice Boltzmann methods (LBMs) applied to computer renderings assembled from X-ray computed tomography scans of various biogenic macroporous limestone samples. The highest simulated LBM permeabilities were about five orders of magnitude greater than standard laboratory measurements using air-permeability methods, which are limited in their application to extremely permeable macroporous rock samples. Based on their close conformance to analytical solutions for pipe flow, LBMs offer a new means of obtaining accurate permeability values for such materials. We suggest that the stratiform ichnogenic groundwater flow zones have permeabilities even more extreme (???2-5 orders of magnitude higher) than the Jurassic "super-K" zones of the giant Ghawar oil field. The flow zones of the Pleistocene Biscayne aquifer provide examples of ichnogenic macroporosity for comparative analysis of origin and evolution in other carbonate aquifers, as well as petroleum reservoirs. ?? 2008 Geological Society of America.

Osmotic Water Permeability of Isolated Protoplasts. Modifications during Development1

PubMed Central

Ramahaleo, Tiana; Morillon, Raphaël; Alexandre, Joël; Lassalles, Jean-Paul

1999-01-01

A transference chamber was developed to measure the osmotic water permeability coefficient (Pos) in protoplasts 40 to 120 μm in diameter. The protoplast was held by a micropipette and submitted to a steep osmotic gradient created in the transference chamber. Pos was derived from the changes in protoplast dimensions, as measured using a light microscope. Permeabilities were in the range 1 to 1000 μm s−1 for the various types of protoplasts tested. The precision for Pos was ≤40%, and within this limit, no asymmetry in the water fluxes was observed. Measurements on protoplasts isolated from 2- to 5-d-old roots revealed a dramatic increase in Pos during root development. A shift in Pos from 10 to 500 μm s−1 occurred within less than 48 h. This phenomenon was found in maize (Zea mays), wheat (Triticum aestivum), and rape (Brassica napus) roots. These results show that early developmental processes modify water-transport properties of the plasma membrane, and that the transference chamber is adapted to the study of water-transport mechanisms in native membranes. PMID:10069827

ATRP-based synthesis and characterization of light-responsive coatings for transdermal delivery systems

PubMed Central

Pauly, Anja C; Schöller, Katrin; Baumann, Lukas; Rossi, René M; Dustmann, Kathrin; Ziener, Ulrich; de Courten, Damien; Wolf, Martin; Boesel, Luciano F; Scherer, Lukas J

2015-01-01

The grafting of poly(hydroxyethylmethacrylate) on polymeric porous membranes via atom transfer radical polymerization (ATRP) and subsequent modification with a photo-responsive spiropyran derivative is described. This method leads to photo-responsive membranes with desirable properties such as light-controlled permeability changes, exceptional photo-stability and repeatability of the photo-responsive switching. Conventional track etched polyester membranes were first treated with plasma polymer coating introducing anchoring groups, which allowed the attachment of ATRP-initiator molecules on the membrane surface. Surface initiated ARGET–ATRP of hydroxyethylmethacrylate (where ARGET stands for activator regenerated by electron transfer) leads to a membrane covered with a polymer layer, whereas the controlled polymerization procedure allows good control over the thickness of the polymer layer in respect to the polymerization conditions. Therefore, the final permeability of the membranes could be tailored by choice of pore diameter of the initial membranes, applied monomer concentration or polymerization time. Moreover a remarkable switch in permeability (more than 1000%) upon irradiation with UV-light could be achieved. These properties enable possible applications in the field of transdermal drug delivery, filtration, or sensing. PMID:27877791

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).

ATRP-based synthesis and characterization of light-responsive coatings for transdermal delivery systems

NASA Astrophysics Data System (ADS)

Pauly, Anja C.; Schöller, Katrin; Baumann, Lukas; Rossi, René M.; Dustmann, Kathrin; Ziener, Ulrich; de Courten, Damien; Wolf, Martin; Boesel, Luciano F.; Scherer, Lukas J.

2015-06-01

The grafting of poly(hydroxyethylmethacrylate) on polymeric porous membranes via atom transfer radical polymerization (ATRP) and subsequent modification with a photo-responsive spiropyran derivative is described. This method leads to photo-responsive membranes with desirable properties such as light-controlled permeability changes, exceptional photo-stability and repeatability of the photo-responsive switching. Conventional track etched polyester membranes were first treated with plasma polymer coating introducing anchoring groups, which allowed the attachment of ATRP-initiator molecules on the membrane surface. Surface initiated ARGET-ATRP of hydroxyethylmethacrylate (where ARGET stands for activator regenerated by electron transfer) leads to a membrane covered with a polymer layer, whereas the controlled polymerization procedure allows good control over the thickness of the polymer layer in respect to the polymerization conditions. Therefore, the final permeability of the membranes could be tailored by choice of pore diameter of the initial membranes, applied monomer concentration or polymerization time. Moreover a remarkable switch in permeability (more than 1000%) upon irradiation with UV-light could be achieved. These properties enable possible applications in the field of transdermal drug delivery, filtration, or sensing.

Learning from our failures in blood-brain permeability: what can be done for new drug discovery?

PubMed

Martel, Sylvain

2015-03-01

Many existing pharmaceuticals are rendered ineffective in the treatment of cerebral diseases due to a permeability barrier well known as the blood-brain barrier (BBB). Such barrier between the blood within brain capillaries and the extracellular fluid in brain tissue has motivated several approaches aimed at delivering therapeutics to the brain. These approaches rely on strategies that can be classified as molecular modifications, the use of BBB bypassing pathways, and BBB disruptions. Although several of these approaches that have been investigated so far show promising results, none has addressed the optimization of the ratio of the dose of the drug molecules that contributes to the therapeutic effects. As such, the extensive research efforts, such as prioritizing the enhancement of the BBB permeability alone is likely to fail to provide the best therapeutic effects for a given dose if prior systemic circulation is not avoided while enhancing the spatial targeting only to regions of the brain that need treatment. Hence, new therapeutics for the brain could be synthesized to take advantage of recent technologies for non-systemic delivery and spatially targeted brain uptake.

Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.

PubMed

Shiokawa, Zenyu; Hashimoto, Kentaro; Saito, Bunnai; Oguro, Yuya; Sumi, Hiroyuki; Yabuki, Masato; Yoshimatsu, Mie; Kosugi, Yohei; Debori, Yasuyuki; Morishita, Nao; Dougan, Douglas R; Snell, Gyorgy P; Yoshida, Sei; Ishikawa, Tomoyasu

2013-12-15

We previously reported octahydropyrrolo[1,2-a]pyrazine derivative 2 (T-3256336) as a potent antagonist for inhibitors of apoptosis (IAP) proteins. Because compound 2 was susceptible to MDR1 mediated efflux, we developed another scaffold, hexahydropyrazino[1,2-a]indole, using structure-based drug design. The fused benzene ring of this scaffold was aimed at increasing the lipophilicity and decreasing the basicity of the scaffold to improve the membrane permeability across MDR1 expressing cells. We established a chiral pool synthetic route to yield the desired tricyclic chiral isomers. Chemical modification of the core scaffold led to a representative compound 50, which showed strong inhibition of IAP binding (X chromosome-linked IAP [XIAP]: IC50 23 nM and cellular IAP [cIAP]: IC50 1.1 nM) and cell growth inhibition (MDA-MB-231 cells: GI50 2.8 nM) with high permeability and low potential of MDR1 substrate. Copyright © 2013 Elsevier Ltd. All rights reserved.

Atomistic and continuum scale modeling of functionalized graphyne membranes for water desalination.

PubMed

Raju, Muralikrishna; Govindaraju, Pavan B; van Duin, Adri C T; Ihme, Matthias

2018-02-22

Recent theoretical and experimental studies reported ultra-high water permeability and salt rejection in nanoporous single-layer graphene. However, creating and controlling the size and distribution of nanometer-scale pores pose significant challenges to application of these membranes for water desalination. Graphyne and hydrogenated graphyne have tremendous potential as ultra-permeable membranes for desalination and wastewater reclamation due to their uniform pore-distribution, atomic thickness and mechano-chemical stability. Using molecular dynamics (MD) simulations and upscale continuum analysis, the desalination performance of bare and hydrogenated α-graphyne and γ-{2,3,4}-graphyne membranes is evaluated as a function of pore size, pore geometry, chemical functionalization and applied pressure. MD simulations show that pores ranging from 20 to 50 Å 2 reject in excess of 90% of the ions for pressures up to 1 GPa. Water permeability is found to range up to 85 L cm -2 day -1 MPa -1 , which is up to three orders of magnitude larger than commercial seawater reverse osmosis (RO) membranes and up to ten times that of nanoporous graphene. Pore chemistry, functionalization and geometry are shown to play a critical role in modulating the water flux, and these observations are explained by water velocity, density, and energy barriers in the pores. The atomistic scale investigations are complemented by upscale continuum analysis to examine the performance of these membranes in application to cross-flow RO systems. This upscale analysis, however, shows that the significant increase in permeability, observed from MD simulations, does not fully translate to current RO systems due to transport limitations. Nevertheless, upscale calculations predict that the higher permeability of graphyne membranes would allow up to six times higher permeate recovery or up to 6% less energy consumption as compared to thin-film composite membranes at currently accessible operating conditions. Significantly higher energy savings and permeate recovery can be achieved if higher feed-flow rates can be realized.

Simulator study of the stall departure characteristics of a light general aviation airplane with and without a wing-leading-edge modification

NASA Technical Reports Server (NTRS)

Riley, D. R.

1985-01-01

A six-degree-of-freedom nonlinear simulation was developed for a two-place, single-engine, low-wing general aviation airplane for the stall and initial departure regions of flight. Two configurations, one with and one without an outboard wing-leading-edge modification, were modeled. The math models developed are presented simulation predictions and flight-test data for validation purposes and simulation results for the two configurations for various maneuvers and power settings are compared to show the beneficial influence of adding the wing-leading-edge modification.

Evidence for preferential flow through sandstone aquifers in Southern Wisconsin

USGS Publications Warehouse

Swanson, S.K.; Bahr, J.M.; Bradbury, K.R.; Anderson, K.M.

2006-01-01

Sandstones often escape extensive hydrogeologic characterization due to their high primary porosity and perceived homogeneity of permeability. This study provides evidence for laterally extensive, high permeability zones in the Tunnel City Group, an undeformed, Cambrian-aged sandstone unit that exists in the subsurface throughout much of central and southern Wisconsin, USA. Several discrete high-permeability zones were identified in boreholes using flow logging and slug tests, and the interconnectedness of the features was tested using a site-specific numerical model for springs in the region. Explicit incorporation of a high-permeability layer leads to improvements in the flux calibration over simulations that lack the features, thus supporting the hydraulic continuity of high-permeability zones in the sandstone aquifer over tens of kilometers. The results suggest that stratigraphically controlled heterogeneities like contrasts in lithology or bedding-plane fractures, which have been shown to strongly influence the flow of groundwater in more heterogeneous sedimentary rocks, may also deserve close examination in sandstone aquifers. ?? 2005 Elsevier B.V. All rights reserved.

Temporal evolution modeling of hydraulic and water quality performance of permeable pavements

NASA Astrophysics Data System (ADS)

Huang, Jian; He, Jianxun; Valeo, Caterina; Chu, Angus

2016-02-01

A mathematical model for predicting hydraulic and water quality performance in both the short- and long-term is proposed based on field measurements for three types of permeable pavements: porous asphalt (PA), porous concrete (PC), and permeable inter-locking concrete pavers (PICP). The model was applied to three field-scale test sites in Calgary, Alberta, Canada. The model performance was assessed in terms of hydraulic parameters including time to peak, peak flow and water balance and a water quality variable (the removal rate of total suspended solids). A total of 20 simulated storm events were used for model calibration and verification processes. The proposed model can simulate the outflow hydrographs with a coefficient of determination (R2) ranging from 0.762 to 0.907, and normalized root-mean-square deviation (NRMSD) ranging from 13.78% to 17.83%. Comparison of the time to peak flow, peak flow, runoff volume and TSS removal rates between the measured and modeled values in model verification phase had a maximum difference of 11%. The results demonstrate that the proposed model is capable of capturing the temporal dynamics of the pavement performance. Therefore, the model has great potential as a practical modeling tool for permeable pavement design and performance assessment.

Frequency and peak stretch magnitude affect alveolar epithelial permeability.

PubMed

Cohen, T S; Cavanaugh, K J; Margulies, S S

2008-10-01

The present study measured stretch-induced changes in transepithelial permeability to uncharged tracers (1.5-5.5 A) using cultured monolayers of alveolar epithelial type-I like cells. Cultured alveolar epithelial cells were subjected to uniform cyclic (0, 0.25 and 1.0 Hz) biaxial stretch from 0% to 12, 25 or 37% change in surface area (DeltaSA) for 1 h. Significant changes in permeability of cell monolayers were observed when stretched from 0% to 37% DeltaSA at all frequencies, and from 0% to 25% DeltaSA only at high frequency (1 Hz), but not at all when stretched from 0% to 12% DeltaSA compared with unstretched controls. At stretch oscillation amplitudes of 25 and 37% DeltaSA, imposed at 1 Hz, tracer permeability increased compared with that at 0.25 Hz. Cells subjected to a single stretch cycle at 37% DeltaSA (0.25 Hz), to simulate a deep sigh, were not distinguishable from unstretched controls. Reducing stretch oscillation amplitude while maintaining a peak stretch of 37% DeltaSA (0.25 Hz) via the application of a simulated post-end-expiratory pressure did not protect barrier properties. In conclusion, peak stretch magnitude and stretch frequency were the primary determining factors for epithelial barrier dysfunction, as opposed to oscillation amplitude.

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

Soltanian, Mohamad Reza; Amooie, Mohammad Amin; Cole, David R.

In this study, a field-scale carbon dioxide (CO 2) injection pilot project was conducted as part of the Southeast Regional Sequestration Partnership (SECARB) at Cranfield, Mississippi. We present higher-order finite element simulations of the compositional two-phase CO 2-brine flow and transport during the experiment. High- resolution static models of the formation geology in the Detailed Area Study (DAS) located below the oil- water contact (brine saturated) are used to capture the impact of connected flow paths on breakthrough times in two observation wells. Phase behavior is described by the cubic-plus-association (CPA) equation of state, which takes into account the polarmore » nature of water molecules. Parameter studies are performed to investigate the importance of Fickian diffusion, permeability heterogeneity, relative permeabilities, and capillarity. Simulation results for the pressure response in the injection well and the CO 2 breakthrough times at the observation wells show good agreement with the field data. For the high injection rates and short duration of the experiment, diffusion is relatively unimportant (high P clet numbers), while relative permeabilities have a profound impact on the pressure response. High-permeability pathways, created by fluvial deposits, strongly affect the CO 2 transport and highlight the importance of properly characterizing the formation heterogeneity in future carbon sequestration projects.« less

Modeling the Hydrologic Processes of a Permeable Pavement ...

EPA Pesticide Factsheets

A permeable pavement system can capture stormwater to reduce runoff volume and flow rate, improve onsite groundwater recharge, and enhance pollutant controls within the site. A new unit process model for evaluating the hydrologic performance of a permeable pavement system has been developed in this study. The developed model can continuously simulate infiltration through the permeable pavement surface, exfiltration from the storage to the surrounding in situ soils, and clogging impacts on infiltration/exfiltration capacity at the pavement surface and the bottom of the subsurface storage unit. The exfiltration modeling component simulates vertical and horizontal exfiltration independently based on Darcy’s formula with the Green-Ampt approximation. The developed model can be arranged with physically-based modeling parameters, such as hydraulic conductivity, Manning’s friction flow parameters, saturated and field capacity volumetric water contents, porosity, density, etc. The developed model was calibrated using high-frequency observed data. The modeled water depths are well matched with the observed values (R2 = 0.90). The modeling results show that horizontal exfiltration through the side walls of the subsurface storage unit is a prevailing factor in determining the hydrologic performance of the system, especially where the storage unit is developed in a long, narrow shape; or with a high risk of bottom compaction and clogging. This paper presents unit

Analytical approximations for effective relative permeability in the capillary limit

NASA Astrophysics Data System (ADS)

Rabinovich, Avinoam; Li, Boxiao; Durlofsky, Louis J.

2016-10-01

We present an analytical method for calculating two-phase effective relative permeability, krjeff, where j designates phase (here CO2 and water), under steady state and capillary-limit assumptions. These effective relative permeabilities may be applied in experimental settings and for upscaling in the context of numerical flow simulations, e.g., for CO2 storage. An exact solution for effective absolute permeability, keff, in two-dimensional log-normally distributed isotropic permeability (k) fields is the geometric mean. We show that this does not hold for krjeff since log normality is not maintained in the capillary-limit phase permeability field (Kj=k·krj) when capillary pressure, and thus the saturation field, is varied. Nevertheless, the geometric mean is still shown to be suitable for approximating krjeff when the variance of ln⁡k is low. For high-variance cases, we apply a correction to the geometric average gas effective relative permeability using a Winsorized mean, which neglects large and small Kj values symmetrically. The analytical method is extended to anisotropically correlated log-normal permeability fields using power law averaging. In these cases, the Winsorized mean treatment is applied to the gas curves for cases described by negative power law exponents (flow across incomplete layers). The accuracy of our analytical expressions for krjeff is demonstrated through extensive numerical tests, using low-variance and high-variance permeability realizations with a range of correlation structures. We also present integral expressions for geometric-mean and power law average krjeff for the systems considered, which enable derivation of closed-form series solutions for krjeff without generating permeability realizations.

AnalyzeHOLE - An Integrated Wellbore Flow Analysis Tool

USGS Publications Warehouse

Halford, Keith

2009-01-01

Conventional interpretation of flow logs assumes that hydraulic conductivity is directly proportional to flow change with depth. However, well construction can significantly alter the expected relation between changes in fluid velocity and hydraulic conductivity. Strong hydraulic conductivity contrasts between lithologic intervals can be masked in continuously screened wells. Alternating intervals of screen and blank casing also can greatly complicate the relation between flow and hydraulic properties. More permeable units are not necessarily associated with rapid fluid-velocity increases. Thin, highly permeable units can be misinterpreted as thick and less permeable intervals or not identified at all. These conditions compromise standard flow-log interpretation because vertical flow fields are induced near the wellbore. AnalyzeHOLE, an integrated wellbore analysis tool for simulating flow and transport in wells and aquifer systems, provides a better alternative for simulating and evaluating complex well-aquifer system interaction. A pumping well and adjacent aquifer system are simulated with an axisymmetric, radial geometry in a two-dimensional MODFLOW model. Hydraulic conductivities are distributed by depth and estimated with PEST by minimizing squared differences between simulated and measured flows and drawdowns. Hydraulic conductivity can vary within a lithology but variance is limited with regularization. Transmissivity of the simulated system also can be constrained to estimates from single-well, pumping tests. Water-quality changes in the pumping well are simulated with simple mixing models between zones of differing water quality. These zones are differentiated by backtracking thousands of particles from the well screens with MODPATH. An Excel spreadsheet is used to interface the various components of AnalyzeHOLE by (1) creating model input files, (2) executing MODFLOW, MODPATH, PEST, and supporting FORTRAN routines, and (3) importing and graphically displaying pertinent results.

Imaging and computational considerations for image computed permeability: Operating envelope of Digital Rock Physics

NASA Astrophysics Data System (ADS)

Saxena, Nishank; Hows, Amie; Hofmann, Ronny; Alpak, Faruk O.; Freeman, Justin; Hunter, Sander; Appel, Matthias

2018-06-01

This study defines the optimal operating envelope of the Digital Rock technology from the perspective of imaging and numerical simulations of transport properties. Imaging larger volumes of rocks for Digital Rock Physics (DRP) analysis improves the chances of achieving a Representative Elementary Volume (REV) at which flow-based simulations (1) do not vary with change in rock volume, and (2) is insensitive to the choice of boundary conditions. However, this often comes at the expense of image resolution. This trade-off exists due to the finiteness of current state-of-the-art imaging detectors. Imaging and analyzing digital rocks that sample the REV and still sufficiently resolve pore throats is critical to ensure simulation quality and robustness of rock property trends for further analysis. We find that at least 10 voxels are needed to sufficiently resolve pore throats for single phase fluid flow simulations. If this condition is not met, additional analyses and corrections may allow for meaningful comparisons between simulation results and laboratory measurements of permeability, but some cases may fall outside the current technical feasibility of DRP. On the other hand, we find that the ratio of field of view and effective grain size provides a reliable measure of the REV for siliciclastic rocks. If this ratio is greater than 5, the coefficient of variation for single-phase permeability simulations drops below 15%. These imaging considerations are crucial when comparing digitally computed rock flow properties with those measured in the laboratory. We find that the current imaging methods are sufficient to achieve both REV (with respect to numerical boundary conditions) and required image resolution to perform digital core analysis for coarse to fine-grained sandstones.

[Physiological skin changes during pregnancy].

PubMed

Schmutz, Jean-Luc

2003-11-29

A NATURAL PHENOMENON: Pregnancy is a period of hormone, immunological, metabolic and vascular changes. Modifications of the skin, mucosa and integuments are therefore physiological. The modifications are in pigmentation, but also affect nevi, the connective tissue, vessels and appendices. Modifications in pigmentation exist in more than 9 pregnancies out of 10 in the form of local melanosis. Melasma, also know as the 'pregnancy mask' or chloasma, is fairly rare. These disorders in pigmentation are also observed in black-skinned women. Changes in nevi (darker brown colour, increase in size) occur in around 15% of pregnancies. MODIFICATIONS IN CONNECTIVE TISSUE: Characterised by vergetures, affecting 60 to 90% of women, appear between the 6th and 8th month of pregnancy and for which there is no satisfactory treatment. Vascular modifications are generally proliferative and due to estrogen impregnation that affects the arteriolar and venous systems. Stellar angiomas are present in 50 to 70% of Caucasian women. Bilateral palmar erythema may also be associated with these angiomas. Varicose veins and varicosities of the lower limbs induced by excessive venous pressure are frequent, as well as oedema (salt-water retention, increased capillary permeability). MODIFICATIONS IN THE APPENDICES: These concern the activity of the sweat glands, the size of the sebaceous glands (Montgomery tubercles), the nails and hair growth.

The use of the Petri net method in the simulation modeling of mitochondrial swelling.

PubMed

Danylovych, Yu V; Chunikhin, A Y; Danylovych, G V; Kolomiets, O V

2016-01-01

Using photon correlation spectroscopy, which allows investigating changes in the hydrodynamic dia­meter of the particles in suspension, it was shown that ultrahigh concentrations of Ca2+ (over 10 mM) induce swelling of isolated mitochondria. An increase in hydrodynamic diameter was caused by an increase of non-specific mitochondrial membrane permeability to Ca ions, matrix Ca2+ overload, activation of ATP- and Ca2+-sensitive K+-channels, as well as activation of cyclosporin-sensitive permeability transition pore. To formalize the experimental data and to assess conformity of experimental results with theoretical predictions we developed a simulation model using the hybrid functional Petri net method.

Excitotoxicity triggered by neonatal monosodium glutamate treatment and blood-brain barrier function.

PubMed

Gudiño-Cabrera, Graciela; Ureña-Guerrero, Monica E; Rivera-Cervantes, Martha C; Feria-Velasco, Alfredo I; Beas-Zárate, Carlos

2014-11-01

It is likely that monosodium glutamate (MSG) is the excitotoxin that has been most commonly employed to characterize the process of excitotoxicity and to improve understanding of the ways that this process is related to several pathological conditions of the central nervous system. Excitotoxicity triggered by neonatal MSG treatment produces a significant pathophysiological impact on adulthood, which could be due to modifications in the blood-brain barrier (BBB) permeability and vice versa. This mini-review analyzes this topic through brief descriptions about excitotoxicity, BBB structure and function, role of the BBB in the regulation of Glu extracellular levels, conditions that promote breakdown of the BBB, and modifications induced by neonatal MSG treatment that could alter the behavior of the BBB. In conclusion, additional studies to better characterize the effects of neonatal MSG treatment on excitatory amino acids transporters, ionic exchangers, and efflux transporters, as well as the role of the signaling pathways mediated by erythropoietin and vascular endothelial growth factor in the cellular elements of the BBB, should be performed to identify the mechanisms underlying the increase in neurovascular permeability associated with excitotoxicity observed in several diseases and studied using neonatal MSG treatment. Copyright © 2015 IMSS. Published by Elsevier Inc. All rights reserved.

Targeting SVCT for enhanced drug absorption: Synthesis and in vitro evaluation of a novel vitamin C conjugated prodrug of saquinavir

PubMed Central

Luo, Shuanghui; Wang, Zhiying; Patel, Mitesh; Khurana, Varun; Zhu, Xiaodong; Pal, Dhananjay; Mitra, Ashim. K.

2015-01-01

In order to improve oral absorption, a novel prodrug of saquinavir (Saq), ascorbyl-succinic-saquinavir (AA-Su-Saq) targeting sodium dependent vitamin C transporter (SVCT) was synthesized and evaluated. Aqueous solubility, stability and cytotoxicity were determined. Affinity of AA-Su-Saq towards effluxpump P-glycoprotein (P-gp) and recognition of AA-Su-Saq by SVCT were studied. Transepithelial permeability across polarized MDCK-MDR1 and Caco-2 cells were determined. Metabolic stability of AA-Su-Saq in rat liver microsomes was investigated. AA-Su-Saq appears to be fairly stable in both DPBS and Caco-2 cells with half lives of 9.65 and 5.73 h, respectively. Uptake of [3H]Saquinavir accelerated by 2.7 and 1.9 fold in the presence of 50 μM Saq and AA-Su-Saq in MDCK-MDR1 cells. Cellular accumulation of [14C]AA diminished by about 50–70% relative to control in the presence of 200 μM AA-Su-Saq in MDCK-MDR1 and Caco-2 cells. Uptake of AA-Su-Saq was lowered by 27% and 34% in the presence of 5 mM AA in MDCK-MDR1 and Caco-2 cells, respectively. Absorptive permeability of AA-Su-Saq was elevated about 4-5 fold and efflux index reduced by about 13-15 fold across the polarized MDCK-MDR1 and Caco-2 cells. Absorptive permeability of AA-Su-Saq decreased 44% in the presence of 5 mM AA across MDCK-MDR1 cells. AA-Su-Saq was devoid of cytotoxicity over the concentration range studied. AA-Su-Saq significantly enhanced the metabolic stability but lowered the affinity towards CYP3A4. In conclusion, prodrug modification of Saq through conjugation to AA via a linker significantly raised the absorptive permeability and metabolic stability. Such modification also caused significant evading of P-gp mediated efflux and CYP3A4 mediated metabolism. SVCT targeted prodrug approach can be an attractive strategy to enhance the oral absorption and systemic bioavailability of anti-HIV protease inhibitors. PMID:21571053

Modification of in-pack conditions to extend the storage life of vacuum packaged lamb.

PubMed

Gill, C O; Penney, N

1985-01-01

High pH (>5·9) lamb loins from a research abattoir were subjected to differing packaging treatments to determine whether package modification could reliably extend the storage life of chilled lamb cuts beyond that attained by cuts vacuum-packaged in film of low gas permeability, as in current commercial practice. Treatments applied were carbon dioxide flushing or addition of a citrate buffer (pH 4·8), a 5% lactic acid solution or a Lactobacillus inoculum (plastic packs only) and packaging in a plastic film of moderately low oxygen permeability (140 cc/m(2)/24 h at 25°C and 90% relative humidity) or in a foil laminate of immeasurably low oxygen permeability. After 12 weeks' storage at -0.5°C, the cuts packaged in the plastic film were spoiled by off-odours produced by enterobacteria, except for inoculated cuts, which, instead, had developed unacceptable dairy flavours. In contrast, cuts packaged in foil laminate developed floras of lactobacilli that had not caused spoilage after 12 weeks, and meat colour was much improved by the exclusion of oxygen. Loin cuts from a commercial packaging operation were packaged in a shrinkable plastic film of low oxygen permeability (30 to 40 cc/m(2)/24 h at 25°C and 90% relative humidity), in foil laminate, or in foil laminate after the addition of 5% lactic acid solution. For the first 6 weeks, cuts were stored in a commercial chiller nominally operating at 0°C; subsequently, they were held in a laboratory chiller at -0.5°C. Some cuts packaged in the shrinkable plastic were spoiled after 9 weeks' storage and all were spoiled at 12 weeks, because of off-flavours produced by enterobacteria. All cuts packaged in the foil laminate were very acceptable at 9 weeks but most were spoiled by off-flavours at 12 weeks. Most cuts treated with lactic acid and packaged in foil laminate were unspoiled after 12 weeks. The packaging requirements indicated to be necessary for reliable extension of the storage life of vacuum packaged lamb are discussed. Copyright © 1985. Published by Elsevier Ltd.

Targeting SVCT for enhanced drug absorption: synthesis and in vitro evaluation of a novel vitamin C conjugated prodrug of saquinavir.

PubMed

Luo, Shuanghui; Wang, Zhiying; Patel, Mitesh; Khurana, Varun; Zhu, Xiaodong; Pal, Dhananjay; Mitra, Ashim K

2011-07-29

In order to improve oral absorption, a novel prodrug of saquinavir (Saq), ascorbyl-succinic-saquinavir (AA-Su-Saq) targeting sodium dependent vitamin C transporter (SVCT) was synthesized and evaluated. Aqueous solubility, stability and cytotoxicity were determined. Affinity of AA-Su-Saq towards efflux pump P-glycoprotein (P-gp) and recognition of AA-Su-Saq by SVCT were studied. Transepithelial permeability across polarized MDCK-MDR1 and Caco-2 cells were determined. Metabolic stability of AA-Su-Saq in rat liver microsomes was investigated. AA-Su-Saq appears to be fairly stable in both DPBS and Caco-2 cells with half lives of 9.65 and 5.73 h, respectively. Uptake of [(3)H]Saquinavir accelerated by 2.7 and 1.9 fold in the presence of 50 μM Saq and AA-Su-Saq in MDCK-MDR1 cells. Cellular accumulation of [(14)C]AA diminished by about 50-70% relative to control in the presence of 200 μM AA-Su-Saq in MDCK-MDR1 and Caco-2 cells. Uptake of AA-Su-Saq was lowered by 27% and 34% in the presence of 5mM AA in MDCK-MDR1 and Caco-2 cells, respectively. Absorptive permeability of AA-Su-Saq was elevated about 4-5 fold and efflux index reduced by about 13-15 fold across the polarized MDCK-MDR1 and Caco-2 cells. Absorptive permeability of AA-Su-Saq decreased 44% in the presence of 5mM AA across MDCK-MDR1 cells. AA-Su-Saq was devoid of cytotoxicity over the concentration range studied. AA-Su-Saq significantly enhanced the metabolic stability but lowered the affinity towards CYP3A4. In conclusion, prodrug modification of Saq through conjugation to AA via a linker significantly raised the absorptive permeability and metabolic stability. Such modification also caused significant evading of P-gp mediated efflux and CYP3A4 mediated metabolism. SVCT targeted prodrug approach can be an attractive strategy to enhance the oral absorption and systemic bioavailability of anti-HIV protease inhibitors. Copyright © 2011 Elsevier B.V. All rights reserved.

Geologic Sequestration of CO2: Potential Permeability Changes in Host Formations of the San Juan Basin, New Mexico

NASA Astrophysics Data System (ADS)

Abel, A. P.; McPherson, B.; Lichtner, P.; Bond, G.; Stringer, J.; Grigg, R.

2002-12-01

Terrestrial sequestration through injection into geologic formations is one proposed method for the isolation of anthropogenic CO2 from the atmosphere. A variety of physical and chemical processes are known to occur both during and after geologic CO2 injection, including diagenetic chemical reactions and associated permeability changes. Although it is commonly assumed that CO2 sequestered in this way will ultimately become mineralized, the rates of these changes, including CO2 hydration in brines, are known to be relatively slow. Bond and others (this volume) have developed a biomimetic approach to CO2 sequestration, in which the rate of CO2 hydration is accelerated by the use of a biological catalyst. Together with the hydrated CO2, cations from produced brines may be used to form solid-state carbonate minerals at the earth's surface, or this bicarbonate solution may be reinjected for geologic sequestration. Chemical composition of produced brines will affect both the diagenetic reactions that occur within the host formation, and the precipitation reactions that will occur above ground. In a specific case study of the San Juan Basin, New Mexico, we are cataloging different brines present in that basin. We are using this information to facilitate evaluation of potential applications of the biomimetic process and geologic sequestration. In a separate collaborative study by Grigg and others (this volume), laboratory experiments have been conducted on multiphase CO2 and brine injection and flow through saturated rock cores. We are extending from that study to our specific case study of the San Juan basin, to examine and characterize potential permeability changes associated with accelerated diagenesis due to the presence of high concentrations of CO2 or bicarbonate solutions in situ. We are developing and conducting new laboratory experiments to evaluate relative permeability (to CO2 and brine) of selected strata from the Fruitland Formation and Pictured Cliffs Sandstone. In addition to relative permeability, we are conducting longer-term flow tests reflecting marked permeability changes, and documenting the changes by comparing detailed pre-test measurements of porosity and permeability to post-test measurements. We are using these experimental results to parameterize coupled-flow and reactive-chemistry models of a selected cross-section of the San Juan basin. Our flow and chemistry model is based on the Los Alamos National Laboratory reactive chemistry simulator, TRANS, coupled to the Lawrence Berkeley Laboratory flow simulator, TOUGH2. The purpose of these simulation models is to evaluate potential CO2- and bicarbonate-induced diagenetic changes in permeability and flow at the basin-scale. In addition they will provide useful information in relation to brine extraction. We are also using these calibrated basin models to examine natural diagenesis and permeability evolution associated with changing brine properties and flow conditions over geologic time.

Caprock integrity susceptibility to permeable fracture creation

DOE PAGES

Frash, Luke; Carey, James William; Ickes, Timothy Lee; ...

2017-07-14

Caprock leakage is of crucial concern for environmentally and economically sustainable development of carbon dioxide sequestration and utilization operations. One potential leakage pathway is through fractures or faults that penetrate the caprock. In this study, we investigate the permeability induced by fracturing initially intact Marcellus shale outcrop specimens at stressed conditions using a triaxial direct-shear method. Measurements of induced permeability, fracture geometry, displacement, and applied stresses were all obtained at stressed conditions to investigate the coupled processes of fracturing and fluid flow as may occur in the subsurface. Fracture geometry was directly observed at stressed conditions using X-ray radiography video.more » Numerical simulation was performed to evaluate the stress distribution developed in the experiments. Our experiments show that permeability induced by fracturing is strongly dependent on the stresses at which the fractures are created, the magnitude of shearing displacement, and the duration of flow. The strongest permeability contrast was observed when comparing specimens fractured at low stress to others fractured at higher stress. Measureable fracture permeability decreased by up to 7 orders of magnitude over a corresponding triaxial confining stress range of 3.5 MPa to 30 MPa. These results show that increasing stress, depth, and time are all significant permeability inhibitors that may limit potential leakage through fractured caprock.« less

General slip regime permeability model for gas flow through porous media

NASA Astrophysics Data System (ADS)

Zhou, Bo; Jiang, Peixue; Xu, Ruina; Ouyang, Xiaolong

2016-07-01

A theoretical effective gas permeability model was developed for rarefied gas flow in porous media, which holds over the entire slip regime with the permeability derived as a function of the Knudsen number. This general slip regime model (GSR model) is derived from the pore-scale Navier-Stokes equations subject to the first-order wall slip boundary condition using the volume-averaging method. The local closure problem for the volume-averaged equations is studied analytically and numerically using a periodic sphere array geometry. The GSR model includes a rational fraction function of the Knudsen number which leads to a limit effective permeability as the Knudsen number increases. The mechanism for this behavior is the viscous fluid inner friction caused by converging-diverging flow channels in porous media. A linearization of the GSR model leads to the Klinkenberg equation for slightly rarefied gas flows. Finite element simulations show that the Klinkenberg model overestimates the effective permeability by as much as 33% when a flow approaches the transition regime. The GSR model reduces to the unified permeability model [F. Civan, "Effective correlation of apparent gas permeability in tight porous media," Transp. Porous Media 82, 375 (2010)] for the flow in the slip regime and clarifies the physical significance of the empirical parameter b in the unified model.

Caprock integrity susceptibility to permeable fracture creation

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

Frash, Luke; Carey, James William; Ickes, Timothy Lee

Caprock leakage is of crucial concern for environmentally and economically sustainable development of carbon dioxide sequestration and utilization operations. One potential leakage pathway is through fractures or faults that penetrate the caprock. In this study, we investigate the permeability induced by fracturing initially intact Marcellus shale outcrop specimens at stressed conditions using a triaxial direct-shear method. Measurements of induced permeability, fracture geometry, displacement, and applied stresses were all obtained at stressed conditions to investigate the coupled processes of fracturing and fluid flow as may occur in the subsurface. Fracture geometry was directly observed at stressed conditions using X-ray radiography video.more » Numerical simulation was performed to evaluate the stress distribution developed in the experiments. Our experiments show that permeability induced by fracturing is strongly dependent on the stresses at which the fractures are created, the magnitude of shearing displacement, and the duration of flow. The strongest permeability contrast was observed when comparing specimens fractured at low stress to others fractured at higher stress. Measureable fracture permeability decreased by up to 7 orders of magnitude over a corresponding triaxial confining stress range of 3.5 MPa to 30 MPa. These results show that increasing stress, depth, and time are all significant permeability inhibitors that may limit potential leakage through fractured caprock.« less

Numerical investigations on mapping permeability heterogeneity in coal seam gas reservoirs using seismo-electric methods

NASA Astrophysics Data System (ADS)

Gross, L.; Shaw, S.

2016-04-01

Mapping the horizontal distribution of permeability is a key problem for the coal seam gas industry. Poststack seismic data with anisotropy attributes provide estimates for fracture density and orientation which are then interpreted in terms of permeability. This approach delivers an indirect measure of permeability and can fail if other sources of anisotropy (for instance stress) come into play. Seismo-electric methods, based on recording the electric signal from pore fluid movements stimulated through a seismic wave, measure permeability directly. In this paper we use numerical simulations to demonstrate that the seismo-electric method is potentially suitable to map the horizontal distribution of permeability changes across coal seams. We propose the use of an amplitude to offset (AVO) analysis of the electrical signal in combination with poststack seismic data collected during the exploration phase. Recording of electrical signals from a simple seismic source can be closer to production planning and operations. The numerical model is based on a sonic wave propagation model under the low frequency, saturated media assumption and uses a coupled high order spectral element and low order finite element solver. We investigate the impact of seam thickness, coal seam layering, layering in the overburden and horizontal heterogeneity of permeability.

In Situ Triaxial Testing To Determine Fracture Permeability and Aperture Distribution for CO2 Sequestration in Svalbard, Norway.

PubMed

Van Stappen, Jeroen F; Meftah, Redouane; Boone, Marijn A; Bultreys, Tom; De Kock, Tim; Blykers, Benjamin K; Senger, Kim; Olaussen, Snorre; Cnudde, Veerle

2018-04-17

On Svalbard, Arctic Norway, an unconventional siliciclastic reservoir, relying on (micro)fractures for enhanced fluid flow in a low-permeable system, is investigated as a potential CO 2 sequestration site. The fractures' properties at depth are, however, poorly understood. High resolution X-ray computed tomography (micro-CT) imaging allows one to visualize such geomaterials at reservoir conditions. We investigated reservoir samples from the De Geerdalen Formation on Svalbard to understand the influence of fracture closure on the reservoir fluid flow behavior. Small rock plugs were brought to reservoir conditions, while permeability was measured through them during micro-CT imaging. Local fracture apertures were quantified down to a few micrometers wide. The permeability measurements were complemented with fracture permeability simulations based on the obtained micro-CT images. The relationship between fracture permeability and the imposed confining pressure was determined and linked to the fracture apertures. The investigated fractures closed due to the increased confining pressure, with apertures reducing to approximately 40% of their original size as the confining pressure increased from 1 to 10 MPa. This coincides with a permeability drop of more than 90%. Despite their closure, fluid flow is still controlled by the fractures at pressure conditions similar to those at the proposed storage depth of 800-1000 m.

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.

Permeability Evolution With Shearing of Simulated Faults in Unconventional Shale Reservoirs

NASA Astrophysics Data System (ADS)

Wu, W.; Gensterblum, Y.; Reece, J. S.; Zoback, M. D.

2016-12-01

Horizontal drilling and multi-stage hydraulic fracturing can lead to fault reactivation, a process thought to influence production from extremely low-permeability unconventional reservoir. A fundamental understanding of permeability changes with shear could be helpful for optimizing reservoir stimulation strategies. We examined the effects of confining pressure and frictional sliding on fault permeability in Eagle Ford shale samples. We performed shear-flow experiments in a triaxial apparatus on four shale samples: (1) clay-rich sample with sawcut fault, (2) calcite-rich sample with sawcut fault, (3) clay-rich sample with natural fault, and (4) calcite-rich sample with natural fault. We used pressure pulse-decay and steady-state flow techniques to measure fault permeability. Initial pore and confining pressures are set to 2.5 MPa and 5.0 MPa, respectively. To investigate the influence of confining pressure on fault permeability, we incrementally raised and lowered the confining pressure and measure permeability at different effective stresses. To examine the effect of frictional sliding on fault permeability, we slide the samples four times at a constant shear displacement rate of 0.043 mm/min for 10 minutes each and measure fault permeability before and after frictional sliding. We used a 3D Laser Scanner to image fault surface topography before and after the experiment. Our results show that frictional sliding can enhance fault permeability at low confining pressures (e.g., ≥5.0 MPa) and reduce fault permeability at high confining pressures (e.g., ≥7.5 MPa). The permeability of sawcut faults almost fully recovers when confining pressure returns to the initial value, and increases with sliding due to asperity damage and subsequent dilation at low confining pressures. In contrast, the permeability of natural faults does not fully recover. It initially increases with sliding, but then decreases with further sliding most likely due to fault gouge blocking fluid pathways.

Modelling of Longwall Mining-Induced Strata Permeability Change

NASA Astrophysics Data System (ADS)

Adhikary, D. P.; Guo, H.

2015-01-01

The field measurement of permeability within the strata affected by mining is a challenging and expensive task, thus such tests may not be carried out in large numbers to cover all the overburden strata and coal seams being affected by mining. However, numerical modelling in conjunction with a limited number of targeted field measurements can be used efficiently in assessing the impact of mining on a regional scale. This paper presents the results of underground packer testing undertaken at a mine site in New South Wales in Australia and numerical simulations conducted to assess the mining-induced strata permeability change. The underground packer test results indicated that the drivage of main headings (roadways) had induced a significant change in permeability into the solid coal barrier. Permeability increased by more than 50 times at a distance of 11.2-11.5 m from the roadway rib into the solid coal barrier. The tests conducted in the roof strata above the longwall goaf indicated more than 1,000-fold increase in permeability. The measured permeability values varied widely and strangely on a number of occasions; for example the test conducted from the main headings at the 8.2-8.5 m test section in the solid coal barrier showed a decline in permeability value as compared to that at the 11.2-11.5 m section contrary to the expectations. It is envisaged that a number of factors during the tests might have had affected the measured values of permeability: (a) swelling and smearing of the borehole, possibly lowering the permeability values; (b) packer bypass by larger fractures; (c) test section lying in small but intact (without fractures) rock segment, possibly resulting in lower permeability values; and (d) test section lying right at the extensive fractures, possibly measuring higher permeability values. Once the anomalous measurement data were discarded, the numerical model results could be seen to match the remaining field permeability measurement data reasonably well.

User`s guide for UTCHEM implicit (1.0) a three dimensional chemical flood simulator. Final report, September 30, 1992--December 31, 1995

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

NONE

1996-07-01

UTCHEM IMPLICIT is a three-dimensional chemical flooding simulator. The solution scheme is fully implicit. The pressure equation and the mass conservation equations are solved simultaneously for the aqueous phase pressure and the total concentrations of each component. A third-order-in-space, second-order-in-time finite-difference method and a new total-variation-diminishing (TVD) third-order flux limiter are used to reduce numerical dispersion effects. Saturations and phase concentrations are solved in a flash routine. The major physical phenomena modeled in the simulator are: dispersion, adsorption, aqueous-oleic-microemulsion phase behavior, interfacial tension, relative permeability, capillary trapping, compositional phase viscosity, capillary pressure, phase density, polymer properties: shear thinning viscosity, inaccessiblemore » pore volume, permeability reduction, and adsorption. The following options are available in the simulator: constant or variable time-step sizes, uniform or nonuniform grid, pressure or rate constrained wells, horizontal and vertical wells.« less

Interstitial solute transport in 3D reconstructed neuropil occurs by diffusion rather than bulk flow.

PubMed

Holter, Karl Erik; Kehlet, Benjamin; Devor, Anna; Sejnowski, Terrence J; Dale, Anders M; Omholt, Stig W; Ottersen, Ole Petter; Nagelhus, Erlend Arnulf; Mardal, Kent-André; Pettersen, Klas H

2017-09-12

The brain lacks lymph vessels and must rely on other mechanisms for clearance of waste products, including amyloid [Formula: see text] that may form pathological aggregates if not effectively cleared. It has been proposed that flow of interstitial fluid through the brain's interstitial space provides a mechanism for waste clearance. Here we compute the permeability and simulate pressure-mediated bulk flow through 3D electron microscope (EM) reconstructions of interstitial space. The space was divided into sheets (i.e., space between two parallel membranes) and tunnels (where three or more membranes meet). Simulation results indicate that even for larger extracellular volume fractions than what is reported for sleep and for geometries with a high tunnel volume fraction, the permeability was too low to allow for any substantial bulk flow at physiological hydrostatic pressure gradients. For two different geometries with the same extracellular volume fraction the geometry with the most tunnel volume had [Formula: see text] higher permeability, but the bulk flow was still insignificant. These simulation results suggest that even large molecule solutes would be more easily cleared from the brain interstitium by diffusion than by bulk flow. Thus, diffusion within the interstitial space combined with advection along vessels is likely to substitute for the lymphatic drainage system in other organs.

An Incompressible, Depth-Averaged Lattice Boltzmann Method for Liquid Flow in Microfluidic Devices with Variable Aperture

DOE PAGES

Laleian, Artin; Valocchi, Albert J.; Werth, Charles J.

2015-11-24

Two-dimensional (2D) pore-scale models have successfully simulated microfluidic experiments of aqueous-phase flow with mixing-controlled reactions in devices with small aperture. A standard 2D model is not generally appropriate when the presence of mineral precipitate or biomass creates complex and irregular three-dimensional (3D) pore geometries. We modify the 2D lattice Boltzmann method (LBM) to incorporate viscous drag from the top and bottom microfluidic device (micromodel) surfaces, typically excluded in a 2D model. Viscous drag from these surfaces can be approximated by uniformly scaling a steady-state 2D velocity field at low Reynolds number. We demonstrate increased accuracy by approximating the viscous dragmore » with an analytically-derived body force which assumes a local parabolic velocity profile across the micromodel depth. Accuracy of the generated 2D velocity field and simulation permeability have not been evaluated in geometries with variable aperture. We obtain permeabilities within approximately 10% error and accurate streamlines from the proposed 2D method relative to results obtained from 3D simulations. Additionally, the proposed method requires a CPU run time approximately 40 times less than a standard 3D method, representing a significant computational benefit for permeability calculations.« less

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.

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.

1D Thermal-Hydraulic-Chemical (THC) Reactive transport modeling for deep geothermal systems: A case study of Groß Schönebeck reservoir, Germany

NASA Astrophysics Data System (ADS)

Driba, D. L.; De Lucia, M.; Peiffer, S.

2014-12-01

Fluid-rock interactions in geothermal reservoirs are driven by the state of disequilibrium that persists among solid and solutes due to changing temperature and pressure. During operation of enhanced geothermal systems, injection of cooled water back into the reservoir disturbs the initial thermodynamic equilibrium between the reservoir and its geothermal fluid, which may induce modifications in permeability through changes in porosity and pore space geometry, consequently bringing about several impairments to the overall system.Modeling of fluid-rock interactions induced by injection of cold brine into Groß Schönebeck geothermal reservoir system situated in the Rotliegend sandstone at 4200m depth have been done by coupling geochemical modeling Code Phreeqc with OpenGeoSys. Through batch modeling the re-evaluation of the measured hydrochemical composition of the brine has been done using Quintessa databases, the results from the calculation indicate that a mineral phases comprising of K-feldspar, hematite, Barite, Calcite and Dolomite was found to match the hypothesis of equilibrium with the formation fluid, Reducing conditions are presumed in the model (pe = -3.5) in order to match the amount of observed dissolved Fe and thus considered as initial state for the reactive transport modeling. based on a measured composition of formation fluids and the predominant mineralogical assemblage of the host rock, a preliminary 1D Reactive transport modeling (RTM) was run with total time set to 30 years; results obtained for the initial simulation revealed that during this period, no significant change is evident for K-feldspar. Furthermore, the precipitation of calcite along the flow path in the brine results in a drop of pH from 6.2 to a value of 5.2 noticed over the simulated period. The circulation of cooled fluid in the reservoir is predicted to affect the temperature of the reservoir within the first 100 -150m from the injection well. Examination of porosity change in this simulation reveals that, porosity and permeability near the wellbore are enhanced after injection. This is chiefly due to the dissolution of calcite near the injection well and less extent by dolomite The porosity is improved by more than 14% at the injection well, but then decreases away from the well.

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.

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.

Use of the Fracture Continuum Model for Numerical Modeling of Flow and Transport of Deep Geologic Disposal of Nuclear Waste in Crystalline Rock

NASA Astrophysics Data System (ADS)

Hadgu, T.; Kalinina, E.; Klise, K. A.; Wang, Y.

2015-12-01

Numerical modeling of disposal of nuclear waste in a deep geologic repository in fractured crystalline rock requires robust characterization of fractures. Various methods for fracture representation in granitic rocks exist. In this study we used the fracture continuum model (FCM) to characterize fractured rock for use in the simulation of flow and transport in the far field of a generic nuclear waste repository located at 500 m depth. The FCM approach is a stochastic method that maps the permeability of discrete fractures onto a regular grid. The method generates permeability fields using field observations of fracture sets. The original method described in McKenna and Reeves (2005) was designed for vertical fractures. The method has since then been extended to incorporate fully three-dimensional representations of anisotropic permeability, multiple independent fracture sets, and arbitrary fracture dips and orientations, and spatial correlation (Kalinina et al. 20012, 2014). For this study the numerical code PFLOTRAN (Lichtner et al., 2015) has been used to model flow and transport. PFLOTRAN solves a system of generally nonlinear partial differential equations describing multiphase, multicomponent and multiscale reactive flow and transport in porous materials. The code is designed to run on massively parallel computing architectures as well as workstations and laptops (e.g. Hammond et al., 2011). Benchmark tests were conducted to simulate flow and transport in a specified model domain. Distributions of fracture parameters were used to generate a selected number of realizations. For each realization, the FCM method was used to generate a permeability field of the fractured rock. The PFLOTRAN code was then used to simulate flow and transport in the domain. Simulation results and analysis are presented. The results indicate that the FCM approach is a viable method to model fractured crystalline rocks. The FCM is a computationally efficient way to generate realistic representation of complex fracture systems. This approach is of interest for nuclear waste disposal models applied over large domains.

Stochastic porous media modeling and high-resolution schemes for numerical simulation of subsurface immiscible fluid flow transport

NASA Astrophysics Data System (ADS)

Brantson, Eric Thompson; Ju, Binshan; Wu, Dan; Gyan, Patricia Semwaah

2018-04-01

This paper proposes stochastic petroleum porous media modeling for immiscible fluid flow simulation using Dykstra-Parson coefficient (V DP) and autocorrelation lengths to generate 2D stochastic permeability values which were also used to generate porosity fields through a linear interpolation technique based on Carman-Kozeny equation. The proposed method of permeability field generation in this study was compared to turning bands method (TBM) and uniform sampling randomization method (USRM). On the other hand, many studies have also reported that, upstream mobility weighting schemes, commonly used in conventional numerical reservoir simulators do not accurately capture immiscible displacement shocks and discontinuities through stochastically generated porous media. This can be attributed to high level of numerical smearing in first-order schemes, oftentimes misinterpreted as subsurface geological features. Therefore, this work employs high-resolution schemes of SUPERBEE flux limiter, weighted essentially non-oscillatory scheme (WENO), and monotone upstream-centered schemes for conservation laws (MUSCL) to accurately capture immiscible fluid flow transport in stochastic porous media. The high-order schemes results match well with Buckley Leverett (BL) analytical solution without any non-oscillatory solutions. The governing fluid flow equations were solved numerically using simultaneous solution (SS) technique, sequential solution (SEQ) technique and iterative implicit pressure and explicit saturation (IMPES) technique which produce acceptable numerical stability and convergence rate. A comparative and numerical examples study of flow transport through the proposed method, TBM and USRM permeability fields revealed detailed subsurface instabilities with their corresponding ultimate recovery factors. Also, the impact of autocorrelation lengths on immiscible fluid flow transport were analyzed and quantified. A finite number of lines used in the TBM resulted into visual artifact banding phenomenon unlike the proposed method and USRM. In all, the proposed permeability and porosity fields generation coupled with the numerical simulator developed will aid in developing efficient mobility control schemes to improve on poor volumetric sweep efficiency in porous media.

Modeling Corneal Oxygen with Scleral Gas Permeable Lens Wear.

PubMed

Compañ, Vicente; Aguilella-Arzo, Marcel; Edrington, Timothy B; Weissman, Barry A

2016-11-01

The main goal of this current work is to use an updated calculation paradigm, and updated boundary conditions, to provide theoretical guidelines to assist the clinician whose goal is to improve his or her scleral gas permeable (GP) contact lens wearing patients' anterior corneal oxygen supply. Our model uses a variable value of corneal oxygen consumption developed through Monod equations that disallows negative oxygen tensions within the stroma to predict oxygen tension at the anterior corneal surface of scleral GP contact lens wearing eyes, and to describe oxygen tension and flux profiles, for various boundary conditions, through the lens, tears, and cornea. We use several updated tissue and boundary parameters in our model. Tear exchange with GP scleral lenses is considered nonexistent in this model. The majority of current scleral GP contact lenses should produce some levels of corneal hypoxia under open eye conditions. Only lenses producing the thinnest of tear vaults should result in anterior corneal surface oxygen tensions greater than a presumed critical oxygen tension of 100 mmHg. We also find that corneal oxygen tension and flux are each more sensitive to modification in tear vault than to changes in lens oxygen permeability, within the ranges of current clinical manipulation. Our study suggests that clinicians would be prudent to prescribe scleral GP lenses manufactured from higher oxygen permeability materials and especially to fit without excessive corneal clearance.

Parallel algorithms for modeling flow in permeable media. Annual report, February 15, 1995 - February 14, 1996

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

G.A. Pope; K. Sephernoori; D.C. McKinney

1996-03-15

This report describes the application of distributed-memory parallel programming techniques to a compositional simulator called UTCHEM. The University of Texas Chemical Flooding reservoir simulator (UTCHEM) is a general-purpose vectorized chemical flooding simulator that models the transport of chemical species in three-dimensional, multiphase flow through permeable media. The parallel version of UTCHEM addresses solving large-scale problems by reducing the amount of time that is required to obtain the solution as well as providing a flexible and portable programming environment. In this work, the original parallel version of UTCHEM was modified and ported to CRAY T3D and CRAY T3E, distributed-memory, multiprocessor computersmore » using CRAY-PVM as the interprocessor communication library. Also, the data communication routines were modified such that the portability of the original code across different computer architectures was mad possible.« less

Reservoir transport and poroelastic properties from oscillating pore pressure experiments

NASA Astrophysics Data System (ADS)

Hasanov, Azar K.

Hydraulic transport properties of reservoir rocks, permeability and storage capacity are traditionally defined as rock properties, responsible for the passage of fluids through the porous rock sample, as well as their storage. The evaluation of both is an important part of any reservoir characterization workflow. Moreover, permeability and storage capacity are main inputs into any reservoir simulation study, routinely performed by reservoir engineers on almost any major oil and gas field in the world. An accurate reservoir simulation is essential for production forecast and economic analysis, hence the transport properties directly control the profitability of the petroleum reservoir and their estimation is vital for oil and gas industry. This thesis is devoted to an integrated study of reservoir rocks' hydraulic, streaming potential and poroelastic properties as measured with the oscillating pore pressure experiment. The oscillating pore pressure method is traditionally used to measure hydraulic transport properties. We modified the method and built an experimental setup, capable of measuring all aforementioned rock properties simultaneously. The measurements were carried out for four conventional reservoir-rock quality samples at a range of oscillation frequencies and effective stresses. An apparent frequency dependence of permeability and streaming potential coupling coefficient was observed. Measured frequency dispersion of drained poroelastic properties indicates an intrinsically inelastic nature of the porous mineral rock frame. Standard Linear Model demonstrated the best fit to the experimental dispersion data. Pore collapse and grain crushing effects took place during hydrostatic loading of the dolomitic sample and were observed in permeability, coupling coefficient and poroelastic measurements simultaneously. I established that hydraulically-measured storage capacities are overestimated by almost one order of magnitude when compared to elastically-derived ones. The fact that the values of storage capacities as estimated from the hydraulic component of the oscillating pore pressure experiment are unreliable was also demonstrated by comparing poroelastic Biot and Skempton coefficients. These coefficients were estimated both from hydraulic and strain measurements and the comparison of two datasets points out ambiguity of hydraulic measurements. I also introduce a novel method, which allowed us to estimate the permeability from the full range of acquired frequency data by utilizing a nonlinear least-squares regression. I additionally performed numerical simulation of oscillatory fluid flow. The simulated frequency-dependent results displayed an excellent agreement with both analytical solution and experimental data. This agreement proves that numerical simulation is a powerful tool in predicting frequency response of a porous rock sample to harmonic pore pressure excitations.

Benchmarking of vertically-integrated CO2 flow simulations at the Sleipner Field, North Sea

NASA Astrophysics Data System (ADS)

Cowton, L. R.; Neufeld, J. A.; White, N. J.; Bickle, M. J.; Williams, G. A.; White, J. C.; Chadwick, R. A.

2018-06-01

Numerical modeling plays an essential role in both identifying and assessing sub-surface reservoirs that might be suitable for future carbon capture and storage projects. Accuracy of flow simulations is tested by benchmarking against historic observations from on-going CO2 injection sites. At the Sleipner project located in the North Sea, a suite of time-lapse seismic reflection surveys enables the three-dimensional distribution of CO2 at the top of the reservoir to be determined as a function of time. Previous attempts have used Darcy flow simulators to model CO2 migration throughout this layer, given the volume of injection with time and the location of the injection point. Due primarily to computational limitations preventing adequate exploration of model parameter space, these simulations usually fail to match the observed distribution of CO2 as a function of space and time. To circumvent these limitations, we develop a vertically-integrated fluid flow simulator that is based upon the theory of topographically controlled, porous gravity currents. This computationally efficient scheme can be used to invert for the spatial distribution of reservoir permeability required to minimize differences between the observed and calculated CO2 distributions. When a uniform reservoir permeability is assumed, inverse modeling is unable to adequately match the migration of CO2 at the top of the reservoir. If, however, the width and permeability of a mapped channel deposit are allowed to independently vary, a satisfactory match between the observed and calculated CO2 distributions is obtained. Finally, the ability of this algorithm to forecast the flow of CO2 at the top of the reservoir is assessed. By dividing the complete set of seismic reflection surveys into training and validation subsets, we find that the spatial pattern of permeability required to match the training subset can successfully predict CO2 migration for the validation subset. This ability suggests that it might be feasible to forecast migration patterns into the future with a degree of confidence. Nevertheless, our analysis highlights the difficulty in estimating reservoir parameters away from the region swept by CO2 without additional observational constraints.

Application of a pore-scale reactive transport model to a natural analog for reaction-induced pore alterations

DOE PAGES

Yoon, Hongkyu; Major, Jonathan; Dewers, Thomas; ...

2017-01-05

Dissolved CO 2 in the subsurface resulting from geological CO 2 storage may react with minerals in fractured rocks, confined aquifers, or faults, resulting in mineral precipitation and dissolution. The overall rate of reaction can be affected by coupled processes including hydrodynamics, transport, and reactions at the (sub) pore-scale. In this work pore-scale modeling of coupled fluid flow, reactive transport, and heterogeneous reactions at the mineral surface is applied to account for permeability alterations caused by precipitation-induced pore-blocking. This paper is motivated by observations of CO 2 seeps from a natural CO 2 sequestration analog, Crystal Geyser, Utah. Observations alongmore » the surface exposure of the Little Grand Wash fault indicate the lateral migration of CO 2 seep sites (i.e., alteration zones) of 10–50 m width with spacing on the order of ~100 m over time. Sandstone permeability in alteration zones is reduced by 3–4 orders of magnitude by carbonate cementation compared to unaltered zones. One granular porous medium and one fracture network systems are used to conceptually represent permeable porous media and locations of conduits controlled by fault-segment intersections and/or topography, respectively. Simulation cases accounted for a range of reaction regimes characterized by the Damköhler (Da) and Peclet (Pe) numbers. Pore-scale simulation results demonstrate that combinations of transport (Pe), geochemical conditions (Da), solution chemistry, and pore and fracture configurations contributed to match key patterns observed in the field of how calcite precipitation alters flow paths by pore plugging. This comparison of simulation results with field observations reveals mechanistic explanations of the lateral migration and enhances our understanding of subsurface processes associated with the CO 2 injection. In addition, permeability and porosity relations are constructed from pore-scale simulations which account for a range of reaction regimes characterized by the Da and Pe numbers. Finally, the functional relationships obtained from pore-scale simulations can be used in a continuum scale model that may account for large-scale phenomena mimicking lateral migration of surface CO 2 seeps.« less

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.

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

Yoon, Hongkyu; Major, Jonathan; Dewers, Thomas

Dissolved CO 2 in the subsurface resulting from geological CO 2 storage may react with minerals in fractured rocks, confined aquifers, or faults, resulting in mineral precipitation and dissolution. The overall rate of reaction can be affected by coupled processes including hydrodynamics, transport, and reactions at the (sub) pore-scale. In this work pore-scale modeling of coupled fluid flow, reactive transport, and heterogeneous reactions at the mineral surface is applied to account for permeability alterations caused by precipitation-induced pore-blocking. This paper is motivated by observations of CO 2 seeps from a natural CO 2 sequestration analog, Crystal Geyser, Utah. Observations alongmore » the surface exposure of the Little Grand Wash fault indicate the lateral migration of CO 2 seep sites (i.e., alteration zones) of 10–50 m width with spacing on the order of ~100 m over time. Sandstone permeability in alteration zones is reduced by 3–4 orders of magnitude by carbonate cementation compared to unaltered zones. One granular porous medium and one fracture network systems are used to conceptually represent permeable porous media and locations of conduits controlled by fault-segment intersections and/or topography, respectively. Simulation cases accounted for a range of reaction regimes characterized by the Damköhler (Da) and Peclet (Pe) numbers. Pore-scale simulation results demonstrate that combinations of transport (Pe), geochemical conditions (Da), solution chemistry, and pore and fracture configurations contributed to match key patterns observed in the field of how calcite precipitation alters flow paths by pore plugging. This comparison of simulation results with field observations reveals mechanistic explanations of the lateral migration and enhances our understanding of subsurface processes associated with the CO 2 injection. In addition, permeability and porosity relations are constructed from pore-scale simulations which account for a range of reaction regimes characterized by the Da and Pe numbers. Finally, the functional relationships obtained from pore-scale simulations can be used in a continuum scale model that may account for large-scale phenomena mimicking lateral migration of surface CO 2 seeps.« less

The characterization of a point bar-channel aquifer analogue: from geostatistical simulation to solute transport through hydrofacies connectivity

NASA Astrophysics Data System (ADS)

Dell'Arciprete, Diana; Baratelli, Fulvia; Bersezio, Riccardo; Felletti, Fabrizio; Giudici, Mauro; Vassena, Chiara

2010-05-01

Ground water flow and solute transport are controlled by the geological structure and the corresponding heterogeneity and anisotropy of the hydraulic conductivity (K) field. In alluvial aquifers, a complete interdisciplinary characterization of the reservoir is important for reliable predictions. The reconstruction of the subsurface heterogeneity cannot be limited to honor point (e.g., well stratigraphic logs) data, but should also account for the presence of connected high K hydrofacies, which might form preferential flow paths. To explore these concepts an aquifer analogue, at the scale of the point-bar/channel depositional element of a meandering river, was studied. The analogue, exposed in a gravel pit, belongs to the historical sediments of the terraced meandering valley of the Lambro River (Po plain, Northern Italy). The study has been conducted in five steps. (1) Architectural and sedimentological modelling was based on 31 stratigraphic logs collected along five quarry faces (four in E-W direction and one in N-S direction) and a geophysical survey, whereas the hydrostratigraphical characterization was obtained by permeability analysis of 28 samples. Facies mapping was performed in the field and supported by the analysis of the photo-composition of the quarry faces to obtain the geometry, the hierarchy and the internal architecture of sedimentary bodies. Permeability measurements on undisturbed samples and estimates based on the grain-size distribution were compared with bibliography values and used to merge the facies into four hydrofacies: least permeable (very fine sand and silt-clay respectively from topmost channel-fill, silt/clay plugs, drapes and balls), low permeable (sand from point-bar and channel fill bedforms), medium permeable (sandy gravel e gravelly sand from point bars) and most permeable (lower part of lateral accreted units). (2) For a test volume of 11.4m × 11.4m × 2.85m 50 equiprobable simulations of the hydrofacies distribution have been obtained with SISIM (Sequential indicator simulation) and MPS (Multiple point simulation) on a grid of voxels of 20cm × 20cm × 5cm. Conditioning data have been extracted from the hydrofacies maps of two crossing quarry faces. (3) The connectivity of the four simulated hydrofacies has been quantified with total and intrinsic indicators: the former measures the degree of connection within the entire volume, whereas the latter measures the degree of connection of a facies within itself and is therefore less dependent on the proportion of the facies in the total volume. (4) Finite-difference modeling of groundwater flow has been applied to compute the equivalent hydraulic-conductivity tensor. (5) Numerical experiments of convective transport of non-reactive solutes have been performed, in order to map the preferential flow paths and to compute the dispersion tensor with a Lagrangian approach and the longitudinal dispersion with an Eulerian approach. The results show that a multidisciplinary approach permits to reproduce the heterogeneity of this aquifer analogue, so that the results (strength and weaknesses of different geostatistical simulation methods, relationship of connectivity indicators with flow and transport parameters, etc.) obtained for this case study can be generalized to aquifers characterized by similar geological situations.

Modeling the Relationship Between Porosity and Permeability During Oxidation of Ablative Materials

NASA Technical Reports Server (NTRS)

Thornton, John M.; Panerai, Francesco; Ferguson, Joseph C.; Borner, Arnaud; Mansour, Nagi N.

2017-01-01

The ablative materials used in thermal protection systems (TPS) undergo oxidation during atmospheric entry which leads to an in-depth change in both permeability and porosity. These properties have a significant affect on heat transfer in a TPS during entry. X-ray micro-tomography has provided 3D images capturing the micro-structure of TPS materials. In this study, we use micro-tomography based simulations to create high-fidelity models relating permeability to porosity during oxidation of FiberForm, the carbon fiber preform of the Phenolic Impregnated Carbon Ablator (PICA) often used as a TPS material. The goal of this study is to inform full-scale models and reduce uncertainty in TPS modeling.

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.

Hot steam transfer through heat protective clothing layers.

PubMed

Rossi, René; Indelicato, Eric; Bolli, Walter

2004-01-01

The aim of this study was to analyse the transfer of steam through different types of textile layers as a function of sample parameters such as thickness and permeability. In order to simulate the human body, a cylinder releasing defined amounts of moisture was also used. The influence of sweating on heat and mass transfer was assessed. The results show that in general impermeable materials offer better protection against hot steam than semi-permeable ones. The transfer of steam depended on the water vapour permeability of the samples, but also on their thermal insulation and their thickness. Increasing the thickness of the samples with a spacer gave a larger increase in protection with the impermeable samples compared to semi-permeable materials. Measurements with pre-wetted samples showed a reduction in steam protection in any case. On the other hand, the measurements with a sweating cylinder showed a beneficial effect of sweating.

Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination

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

Cohen-Tanugi, David; Grossman, Jeffrey C.

Nanoporous graphene (NPG) shows tremendous promise as an ultra-permeable membrane for water desalination thanks to its atomic thickness and precise sieving properties. However, a significant gap exists in the literature between the ideal conditions assumed for NPG desalination and the physical environment inherent to reverse osmosis (RO) systems. In particular, the water permeability of NPG has been calculated previously based on very high pressures (1000–2000 bars). Does NPG maintain its ultrahigh water permeability under real-world RO pressures (<100 bars)? Here, we answer this question by drawing results from molecular dynamics simulations. Our results indicate that NPG maintains its ultrahigh permeabilitymore » even at low pressures, allowing a permeate water flux of 6.0 l/h-bar per pore, or equivalently 1041 ± 20 l/m{sup 2}-h-bar assuming a nanopore density of 1.7 × 10{sup 13} cm{sup −2}.« less

Water permeability in hydrate-bearing sediments: A pore-scale study

NASA Astrophysics Data System (ADS)

Dai, Sheng; Seol, Yongkoo

2014-06-01

Permeability is a critical parameter governing methane flux and fluid flow in hydrate-bearing sediments; however, limited valid data are available due to experimental challenges. Here we investigate the relationship between apparent water permeability (k') and hydrate saturation (Sh), accounting for hydrate pore-scale growth habit and meso-scale heterogeneity. Results from capillary tube models rely on cross-sectional tube shapes and hydrate pore habits, thus are appropriate only for sediments with uniform hydrate distribution and known hydrate pore character. Given our pore network modeling results showing that accumulating hydrate in sediments decreases sediment porosity and increases hydraulic tortuosity, we propose a modified Kozeny-Carman model to characterize water permeability in hydrate-bearing sediments. This model agrees well with experimental results and can be easily implemented in reservoir simulators with no empirical variables other than Sh. Results are also relevant to flow through other natural sediments that undergo diagenesis, salt precipitation, or bio-clogging.

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.

Hygrothermal Properties of Cross Laminated Timber and Moisture Response of Wood at High Relative Humidity

NASA Astrophysics Data System (ADS)

AlSayegh, George

Cross Laminated Timber (CLT) is a new wood-based material composed of cross laminated wood boards that form a structural panel. This study focuses on identifying the appropriate methods to determine the hygrothermal properties of CLTs fabricated with Canadian and European Lumber. The laboratory tests carried out in this study will help establish heat, air and moisture response properties to be used for hygrothermal simulation to assess the durability of CLTs in building envelope construction. Measurement of water vapour permeability, liquid water absorption, sorption isotherms, thermal conductivity, and air permeability were performed on three Canadian CLT specimens composed of Hem-Fir, Eastern Spruce-Pine-Fir, and Western Spruce-Pine-Fir and one European specimen composed of Spruce. The hygrothermal properties of CLT, considered in this study, appear to be similar to commonly used wood specimens reported in the literature. However, liquid water absorption coefficients of CLT were found to be generally lower than common wood species, possibly due to the presence of glue between the wood layers which limits the moisture movement across the specimen. On the other hand, the air permeability across the CLT specimens varied due to the glue discontinuity within the specimen which led some CLTs to be permeable, however all the European specimens were found to be impermeable. This study also critically analyzed the significance of equilibrium moisture content (EMC) of wood at high relative humidity, measured by means of a pressure plate apparatus and humidity chambers, on the moisture management performance of a wood-frame stucco wall, using the hygrothermal simulation tool hygIRC-2D. The simulation results indicate that the prediction of the moisture response of a wood-frame stucco wall assembly depends significantly on the method adopted to derive the EMC of wood at high RH.

Characterizing flow in oil reservoir rock using SPH: absolute permeability

NASA Astrophysics Data System (ADS)

Holmes, David W.; Williams, John R.; Tilke, Peter; Leonardi, Christopher R.

2016-04-01

In this paper, a three-dimensional smooth particle hydrodynamics (SPH) simulator for modeling grain scale fluid flow in porous rock is presented. The versatility of the SPH method has driven its use in increasingly complex areas of flow analysis, including flows related to permeable rock for both groundwater and petroleum reservoir research. While previous approaches to such problems using SPH have involved the use of idealized pore geometries (cylinder/sphere packs etc), in this paper we detail the characterization of flow in models with geometries taken from 3D X-ray microtomographic imaging of actual porous rock; specifically 25.12 % porosity dolomite. This particular rock type has been well characterized experimentally and described in the literature, thus providing a practical `real world' means of verification of SPH that will be key to its acceptance by industry as a viable alternative to traditional reservoir modeling tools. The true advantages of SPH are realized when adding the complexity of multiple fluid phases, however, the accuracy of SPH for single phase flow is, as yet, under developed in the literature and will be the primary focus of this paper. Flow in reservoir rock will typically occur in the range of low Reynolds numbers, making the enforcement of no-slip boundary conditions an important factor in simulation. To this end, we detail the development of a new, robust, and numerically efficient method for implementing no-slip boundary conditions in SPH that can handle the degree of complexity of boundary surfaces, characteristic of an actual permeable rock sample. A study of the effect of particle density is carried out and simulation results for absolute permeability are presented and compared to those from experimentation showing good agreement and validating the method for such applications.

Nanostructured lipid carriers used for oral delivery of oridonin: an effect of ligand modification on absorption.

PubMed

Zhou, Xiaotong; Zhang, Xingwang; Ye, Yanghuan; Zhang, Tianpeng; Wang, Huan; Ma, Zhiguo; Wu, Baojian

2015-02-20

Oridonin (Ori) is a natural compound with notable anti-inflammation and anti-cancer activities. However, therapeutic use of this compound is limited by its poor solubility and low bioavailability. Here a novel biotin-modified nanostructured lipid carrier (NLC) was developed to enhance the bioavailability of Ori. The effect of ligand (biotin) modification on oral absorption of Ori encapsulated in NLCs was also explored. Ori-loaded NLCs (Ori-NLCs) were prepared by the melt dispersion-high pressure homogenization method. Biotin modification of Ori-NLCs was achieved by EDC and NHS in aqueous phase. The obtained biotin-decorated Ori-NLCs (Bio-Ori-NLCs) were 144.9nm in size with an entrapment efficiency of 49.54% and a drug load of 4.81%. Oral bioavailability was enhanced by use of Bio-Ori-NLCs with a relative bioavailability of 171.01%, while the value of non-modified Ori-NLCs was improved to 143.48%. Intestinal perfusion showed that Ori solution unexpectedly exhibited a moderate permeability, indicating that permeability was not a limiting factor of Ori absorption. Ori could be rapidly metabolized that was the main cause of low bioavailability. However, there was a difference in the enhancement of bioavailability between Bio-Ori-NLCs and conventional NLCs. Although severe lipolyses happened both on Bio-Ori-NLCs and non-modified NLCs, the performance of Bio-Ori-NLCs in the bioavailability improvement was more significant. Overall, Bio-Ori-NLCs can further promote the oral absorption of Ori by a ligand-mediated active transport. It may be a promising carrier for the oral delivery of Ori. Copyright © 2014 Elsevier B.V. All rights reserved.

SURFACTANT ENHANCED RECOVERY OF TETRACHLOROETHYLENE FROM A POROUS MEDIUM CONTAINING LOW PERMEABILITY LENSES. 2. NUMERICAL SIMULATION. (R825409)

EPA Science Inventory

Abstract

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, ...

Numerical Simulation of Abandoned Gob Methane Drainage through Surface Vertical Wells

PubMed Central

Hu, Guozhong

2015-01-01

The influence of the ventilation system on the abandoned gob weakens, so the gas seepage characteristics in the abandoned gob are significantly different from those in a normal mining gob. In connection with this, this study physically simulated the movement of overlying rock strata. A spatial distribution function for gob permeability was derived. A numerical model using FLUENT for abandoned gob methane drainage through surface wells was established, and the derived spatial distribution function for gob permeability was imported into the numerical model. The control range of surface wells, flow patterns and distribution rules for static pressure in the abandoned gob under different well locations were determined using the calculated results from the numerical model. PMID:25955438

Theoretical study of strength of elastic-plastic water-saturated interface under constrained shear

NASA Astrophysics Data System (ADS)

Dimaki, Andrey V.; Shilko, Evgeny V.; Psakhie, Sergey G.

2016-11-01

This paper presents a theoretical study of shear strength of an elastic-plastic water-filled interface between elastic permeable blocks under compression. The medium is described within the discrete element method. The relationship between the stress-strain state of the solid skeleton and pore pressure of a liquid is described in the framework of the Biot's model of poroelasticity. The simulation demonstrates that shear strength of an elastic-plastic interface depends non-linearly on the values of permeability and loading to a great extent. We have proposed an empirical relation that approximates the obtained results of the numerical simulation in assumption of the interplay of dilation of the material and mass transfer of the liquid.

Performance of two differently designed permeable reactive barriers with sulfate and zinc solutions.

PubMed

Pérez, Norma; Schwarz, Alex O; Barahona, Esteban; Sanhueza, Pamela; Diaz, Isabel; Urrutia, Homero

2018-06-18

For the first time, this laboratory-scale study evaluates the feasibility of incorporating diffusive exchange in permeable reactive barriers. In order to do this, the performance of two permeable reactive barriers (PRB) with different internal substrate arrangements were compared during the administration of a sulfate solution without metals (for 163 days) and with metals (for 60 days), simulating groundwater contaminated with acid mine drainage (AMD). In order to simulate a traditional PRB, a homogeneous distribution was implemented in the first reactor and the other PRB reactor utilized diffusion-active technology (DAPRB). In the DAPRB, the distribution of the reactive material was interspersed with the conductive material. The measurements in the internal ports showed that transverse gradients of sulfide formed in the DAPRB, causing the diffusion of sulfide from the substrate toward the layer interface, which is where the sulfide reacts by forming complexes with the metal. The DAPRB prevents the microorganisms from direct contact with AMD. This protection caused greater activity (sulfide production). Copyright © 2018 Elsevier B.V. All rights reserved.

A Physiologically Based Pharmacokinetic Model for the Oxime TMB-4: Simulation of Rodent and Human Data

DTIC Science & Technology

2013-01-13

concentration gradient–driven diffusion across the membranes, but also on the permeability area (PA) cross product for the tissue, which slows the pene...or slowly (mus- cle, skin, bone) perfused tissues. Diffusion limitation con- stants (permeability area cross products or PAs), metabolism and...al. 1991; Worek et al. 2005). A PBPK model has the advan- tage of interspecies and cross -route extrapolation. This PBPK model was initially developed

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

Burns, Erick R.; Williams, Colin F.; Ingebritsen, Steven E.

Heat-flow mapping of the western USA has identified an apparent low-heat-flow anomaly coincident with the Columbia Plateau Regional Aquifer System, a thick sequence of basalt aquifers within the Columbia River Basalt Group (CRBG). A heat and mass transport model (SUTRA) was used to evaluate the potential impact of groundwater flow on heat flow along two different regional groundwater flow paths. Limited in situ permeability (k) data from the CRBG are compatible with a steep permeability decrease (approximately 3.5 orders of magnitude) at 600–900 m depth and approximately 40°C. Numerical simulations incorporating this permeability decrease demonstrate that regional groundwater flow canmore » explain lower-than-expected heat flow in these highly anisotropic (kx/kz ~ 104) continental flood basalts. Simulation results indicate that the abrupt reduction in permeability at approximately 600 m depth results in an equivalently abrupt transition from a shallow region where heat flow is affected by groundwater flow to a deeper region of conduction-dominated heat flow. Most existing heat-flow measurements within the CRBG are from shallower than 600 m depth or near regional groundwater discharge zones, so that heat-flow maps generated using these data are likely influenced by groundwater flow. Substantial k decreases at similar temperatures have also been observed in the volcanic rocks of the adjacent Cascade Range volcanic arc and at Kilauea Volcano, Hawaii, where they result from low-temperature hydrothermal alteration.« less

Numerical Simulation of Heat Transfer in Porous Metals for Cooling Applications

NASA Astrophysics Data System (ADS)

Gauna, Edgar Avalos; Zhao, Yuyuan

2017-08-01

Porous metals have low densities and novel physical, mechanical, thermal, electrical, and acoustic properties. Hence, they have attracted a large amount of interest over the last few decades. One of their applications is for thermal management in the electronics industry because of their fluid permeability and thermal conductivity. The heat transfer capability is achieved by the interaction between the internal channels within the porous metal and the coolant flowing through them. This paper studies the fluid flow and heat transfer in open-cell porous metals manufactured by space holder methods by numerical simulation using software ANSYS Fluent. A 3D geometric model of the porous structure was created based on the face-centered-cubic arrangement of spheres linked by cylinders. This model allows for different combinations of pore parameters including a wide range of porosity (50 to 80 pct), pore size (400 to 1000 µm), and metal particle size (10 to 75 µm). In this study, water was used as the coolant and copper was selected as the metal matrix. The flow rate was varied in the Darcian and Forchheimer's regimes. The permeability, form drag coefficient, and heat transfer coefficient were calculated under a range of conditions. The numerical results showed that permeability increased whereas the form drag coefficient decreased with porosity. Both permeability and form drag coefficient increased with pore size. Increasing flow rate and decreasing porosity led to better heat transfer performance.

Tracer kinetic modelling for DCE-MRI quantification of subtle blood-brain barrier permeability.

PubMed

Heye, Anna K; Thrippleton, Michael J; Armitage, Paul A; Valdés Hernández, Maria Del C; Makin, Stephen D; Glatz, Andreas; Sakka, Eleni; Wardlaw, Joanna M

2016-01-15

There is evidence that subtle breakdown of the blood-brain barrier (BBB) is a pathophysiological component of several diseases, including cerebral small vessel disease and some dementias. Dynamic contrast-enhanced MRI (DCE-MRI) combined with tracer kinetic modelling is widely used for assessing permeability and perfusion in brain tumours and body tissues where contrast agents readily accumulate in the extracellular space. However, in diseases where leakage is subtle, the optimal approach for measuring BBB integrity is likely to differ since the magnitude and rate of enhancement caused by leakage are extremely low; several methods have been reported in the literature, yielding a wide range of parameters even in healthy subjects. We hypothesised that the Patlak model is a suitable approach for measuring low-level BBB permeability with low temporal resolution and high spatial resolution and brain coverage, and that normal levels of scanner instability would influence permeability measurements. DCE-MRI was performed in a cohort of mild stroke patients (n=201) with a range of cerebral small vessel disease severity. We fitted these data to a set of nested tracer kinetic models, ranking their performance according to the Akaike information criterion. To assess the influence of scanner drift, we scanned 15 healthy volunteers that underwent a "sham" DCE-MRI procedure without administration of contrast agent. Numerical simulations were performed to investigate model validity and the effect of scanner drift. The Patlak model was found to be most appropriate for fitting low-permeability data, and the simulations showed vp and K(Trans) estimates to be reasonably robust to the model assumptions. However, signal drift (measured at approximately 0.1% per minute and comparable to literature reports in other settings) led to systematic errors in calculated tracer kinetic parameters, particularly at low permeabilities. Our findings justify the growing use of the Patlak model in low-permeability states, which has the potential to provide valuable information regarding BBB integrity in a range of diseases. However, absolute values of the resulting tracer kinetic parameters should be interpreted with extreme caution, and the size and influence of signal drift should be measured where possible. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Tracer kinetic modelling for DCE-MRI quantification of subtle blood–brain barrier permeability

PubMed Central

Heye, Anna K.; Thrippleton, Michael J.; Armitage, Paul A.; Valdés Hernández, Maria del C.; Makin, Stephen D.; Glatz, Andreas; Sakka, Eleni; Wardlaw, Joanna M.

2016-01-01

There is evidence that subtle breakdown of the blood–brain barrier (BBB) is a pathophysiological component of several diseases, including cerebral small vessel disease and some dementias. Dynamic contrast-enhanced MRI (DCE-MRI) combined with tracer kinetic modelling is widely used for assessing permeability and perfusion in brain tumours and body tissues where contrast agents readily accumulate in the extracellular space. However, in diseases where leakage is subtle, the optimal approach for measuring BBB integrity is likely to differ since the magnitude and rate of enhancement caused by leakage are extremely low; several methods have been reported in the literature, yielding a wide range of parameters even in healthy subjects. We hypothesised that the Patlak model is a suitable approach for measuring low-level BBB permeability with low temporal resolution and high spatial resolution and brain coverage, and that normal levels of scanner instability would influence permeability measurements. DCE-MRI was performed in a cohort of mild stroke patients (n = 201) with a range of cerebral small vessel disease severity. We fitted these data to a set of nested tracer kinetic models, ranking their performance according to the Akaike information criterion. To assess the influence of scanner drift, we scanned 15 healthy volunteers that underwent a “sham” DCE-MRI procedure without administration of contrast agent. Numerical simulations were performed to investigate model validity and the effect of scanner drift. The Patlak model was found to be most appropriate for fitting low-permeability data, and the simulations showed vp and KTrans estimates to be reasonably robust to the model assumptions. However, signal drift (measured at approximately 0.1% per minute and comparable to literature reports in other settings) led to systematic errors in calculated tracer kinetic parameters, particularly at low permeabilities. Our findings justify the growing use of the Patlak model in low-permeability states, which has the potential to provide valuable information regarding BBB integrity in a range of diseases. However, absolute values of the resulting tracer kinetic parameters should be interpreted with extreme caution, and the size and influence of signal drift should be measured where possible. PMID:26477653

A Fluid-driven Earthquake Cycle, Omori's Law, and Fluid-driven Aftershocks

NASA Astrophysics Data System (ADS)

Miller, S. A.

2015-12-01

Few models exist that predict the Omori's Law of aftershock rate decay, with rate-state friction the only physically-based model. ETAS is a probabilistic model of cascading failures, and is sometimes used to infer rate-state frictional properties. However, the (perhaps dominant) role of fluids in the earthquake process is being increasingly realised, so a fluid-based physical model for Omori's Law should be available. In this talk, I present an hypothesis for a fluid-driven earthquake cycle where dehydration and decarbonization at depth provides continuous sources of buoyant high pressure fluids that must eventually make their way back to the surface. The natural pathway for fluid escape is along plate boundaries, where in the ductile regime high pressure fluids likely play an integral role in episodic tremor and slow slip earthquakes. At shallower levels, high pressure fluids pool at the base of seismogenic zones, with the reservoir expanding in scale through the earthquake cycle. Late in the cycle, these fluids can invade and degrade the strength of the brittle crust and contribute to earthquake nucleation. The mainshock opens permeable networks that provide escape pathways for high pressure fluids and generate aftershocks along these flow paths, while creating new pathways by the aftershocks themselves. Thermally activated precipitation then seals up these pathways, returning the system to a low-permeability environment and effective seal during the subsequent tectonic stress buildup. I find that the multiplicative effect of an exponential dependence of permeability on the effective normal stress coupled with an Arrhenius-type, thermally activated exponential reduction in permeability results in Omori's Law. I simulate this scenario using a very simple model that combines non-linear diffusion and a step-wise increase in permeability when a Mohr Coulomb failure condition is met, and allow permeability to decrease as an exponential function in time. I show very strong spatial correlations of the simulated evolved permeability and fluid pressure field with aftershock hypocenters from this 1992 Landers and 1994 Northridge aftershock sequences, and reproduce the observed aftershock decay rates. Controls on the decay rates (p-value) will also be discussed.

Characterization of Solute Transport in Subsurface Using Permeable Pavement and Artificial Precipitation

NASA Astrophysics Data System (ADS)

HAN, K.; Hong, U.; Yeum, Y.; Yoon, J.; Lee, J.; Song, K.; Kwon, S.; Kim, Y.

2016-12-01

Permeable block as low impact development (LID) management can reduce storm water runoff, improve surface water quality and increase groundwater recharge. Recently, in Korea, application of the permeable block has growing trend for urban planning. However, few studies have evaluated how infiltrated rainfall through permeable block affect groundwater quality. Therefore, we conducted monitoring and evaluating of contaminants transport from permeable block surface to aquifer at LID installed three test-bed site. Pollutant materials as total nitrogen (T-N), nitrate (NO3-), ammonium (NH4+), total phosphorus (T-P), phosphate (PO42-), total organic carbon (TOC), sodium (Na+) and bromide (Br-) such as nonreactive tracer were sprinkled under permeable block and sprayed artificial precipitation of 100 mm/hr intensity during a 4 hours by rainfall simulator. All the test-bed area is 2 m x 2 m and monitoring wells were drilled a maximum depth of 10 m. Test-bed 1,2 and 3 groundwater level was approximately 1.9 m, 3.6 m and 4.6 m below ground surface, respectively. Test-bed 1 and 2, time to maximum concentration of Br- as tracer were 0.15 day and 1.71 day after simulated rainfall. In the test-bed 1, average normalized concentration (C* = Cmonitoring/C0, C0 is mass of sprinkled pollutant divide by sprayed water volume) of Br-, T-N, NO3-, NH4+, T-P, PO42-, TOC and Na+ were observed 0.26, 0.08, 0.14, N.D(not detected), 0.05, 0.05, 0.13 and 0.11, respectively. C* of tracer and other solutes on test-bed 2 were 0.52, 0.15, 0.25, N.D, 0.02, 0.02, 0.16 and 0.15, respectively. These phenomena that distinctions between C* of Br-and other solutes indicate to occur retardation by physical/chemical and biological process while pollutant containing water permeate from unsaturated soil to saturated aquifer. However, at the test-bed 3 distinct concentration of all solutes were not detected until 40 days. In this study evaluated the effects of groundwater quality by rainfall leachate from permeable block. Infiltration rate of solutes were measured NO3- > TOC > Na+ >>> PO42- > NH4+. Especially, these results suggested that organic N and T-P (PO42-) need not consideration for groundwater quality at permeable LID system.

Modeling the influence of preferential flow on the spatial variability and time-dependence of mineral weathering rates

DOE PAGES

Pandey, Sachin; Rajaram, Harihar

2016-12-05

Inferences of weathering rates from laboratory and field observations suggest significant scale and time-dependence. Preferential flow induced by heterogeneity (manifest as permeability variations or discrete fractures) has been suggested as one potential mechanism causing scale/time-dependence. In this paper, we present a quantitative evaluation of the influence of preferential flow on weathering rates using reactive transport modeling. Simulations were performed in discrete fracture networks (DFNs) and correlated random permeability fields (CRPFs), and compared to simulations in homogeneous permeability fields. The simulations reveal spatial variability in the weathering rate, multidimensional distribution of reactions zones, and the formation of rough weathering interfaces andmore » corestones due to preferential flow. In the homogeneous fields and CRPFs, the domain-averaged weathering rate is initially constant as long as the weathering front is contained within the domain, reflecting equilibrium-controlled behavior. The behavior in the CRPFs was influenced by macrodispersion, with more spread-out weathering profiles, an earlier departure from the initial constant rate and longer persistence of weathering. DFN simulations exhibited a sustained time-dependence resulting from the formation of diffusion-controlled weathering fronts in matrix blocks, which is consistent with the shrinking core mechanism. A significant decrease in the domain-averaged weathering rate is evident despite high remaining mineral volume fractions, but the decline does not follow a math formula dependence, characteristic of diffusion, due to network scale effects and advection-controlled behavior near the inflow boundary. Finally, the DFN simulations also reveal relatively constant horizontally averaged weathering rates over a significant depth range, challenging the very notion of a weathering front.« less

Modeling the influence of preferential flow on the spatial variability and time-dependence of mineral weathering rates

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

Pandey, Sachin; Rajaram, Harihar

Inferences of weathering rates from laboratory and field observations suggest significant scale and time-dependence. Preferential flow induced by heterogeneity (manifest as permeability variations or discrete fractures) has been suggested as one potential mechanism causing scale/time-dependence. In this paper, we present a quantitative evaluation of the influence of preferential flow on weathering rates using reactive transport modeling. Simulations were performed in discrete fracture networks (DFNs) and correlated random permeability fields (CRPFs), and compared to simulations in homogeneous permeability fields. The simulations reveal spatial variability in the weathering rate, multidimensional distribution of reactions zones, and the formation of rough weathering interfaces andmore » corestones due to preferential flow. In the homogeneous fields and CRPFs, the domain-averaged weathering rate is initially constant as long as the weathering front is contained within the domain, reflecting equilibrium-controlled behavior. The behavior in the CRPFs was influenced by macrodispersion, with more spread-out weathering profiles, an earlier departure from the initial constant rate and longer persistence of weathering. DFN simulations exhibited a sustained time-dependence resulting from the formation of diffusion-controlled weathering fronts in matrix blocks, which is consistent with the shrinking core mechanism. A significant decrease in the domain-averaged weathering rate is evident despite high remaining mineral volume fractions, but the decline does not follow a math formula dependence, characteristic of diffusion, due to network scale effects and advection-controlled behavior near the inflow boundary. Finally, the DFN simulations also reveal relatively constant horizontally averaged weathering rates over a significant depth range, challenging the very notion of a weathering front.« less

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

Evolution of fracture permeability of ultramafic rocks undergoing serpentinization at hydrothermal conditions: An experimental study

NASA Astrophysics Data System (ADS)

Farough, A.; Moore, D. E.; Lockner, D. A.; Lowell, R. P.

2016-01-01

We performed flow-through laboratory experiments on five cylindrically cored samples of ultramafic rocks, in which we generated a well-mated through-going tensile fracture, to investigate evolution of fracture permeability during serpentinization. The samples were tested in a triaxial loading machine at a confining pressure of 50 MPa, pore pressure of 20 MPa, and temperature of 260°C, simulating a depth of 2 km under hydrostatic conditions. A pore pressure difference of up to 2 MPa was imposed across the ends of the sample. Fracture permeability decreased by 1-2 orders of magnitude during the 200-330 h experiments. Electron microprobe and SEM data indicated the formation of needle-shaped crystals of serpentine composition along the walls of the fracture, and chemical analyses of sampled pore fluids were consistent with dissolution of ferro-magnesian minerals. By comparing the difference between fracture permeability and matrix permeability measured on intact samples of the same rock types, we concluded that the contribution of the low matrix permeability to flow is negligible and essentially all of the flow is focused in the tensile fracture. The experimental results suggest that the fracture network in long-lived hydrothermal circulation systems can be sealed rapidly as a result of mineral precipitation, and generation of new permeability resulting from a combination of tectonic and crystallization-induced stresses is required to maintain fluid circulation.

Effect of surface protection on the permeability of eroded dentin

PubMed Central

Martins, Vivian Leite; da Costa Ramos, Rodrigo Vitoria; Pimenta Lima, Max José; Correia de Araújo, Roberto Paulo; Cavalcanti, Andrea Nóbrega

2018-01-01

Context: Eroded dentin might present the opening of dentinal tubules, increasing permeability, and consequently dentinal hypersensitivity. Aims: This study evaluated the permeability of dentin surfaces exposed to different levels of erosion and methods of surface protection. Materials and Methods: Dentine samples (3 mm × 3 mm × 1 mm) were prepared from bovine incisors (n = 90) and divided into three groups according to the method of controlling erosive challenge: Negative control, topical fluoride application, and glass ionomer sealant. Subsequently, they were randomly divided into three subgroups according to the exposure of simulated gastric acid solution (Demineralization – DES) (5% HCl, pH = 2.2), and remineralization (RE); negative control, 9 and 18 cycles DES-RE. The dentin permeability was measured by assessing the hydraulic conductance (μl/min.cmH2O.cm2). Statistical analysis was performed by two-way ANOVA and Tukey's test. Results and Conclusions: Greater permeability was observed after 18 erosive cycles, followed by exposure to 9 cycles and negative control (P < 0.0001). The application of glass ionomer sealant resulted in a major reduction of the hydraulic conductivity, regardless of the erosive challenge. Control groups and topical fluoride application showed similar results. In conclusion, the severity of erosive challenge contributed to the increase of dentin permeability. Besides, the glass ionomer sealant was the only protection agent that promoted significant effects in dentin permeability. PMID:29628641

Evolution of fracture permeability of ultramafic rocks undergoing serpentinization at hydrothermal conditions: An experimental study

USGS Publications Warehouse

Farough, Aida; Moore, Diane E.; Lockner, David A.; Lowell, R.P.

2016-01-01

We performed flow-through laboratory experiments on five cylindrically cored samples of ultramafic rocks, in which we generated a well-mated through-going tensile fracture, to investigate evolution of fracture permeability during serpentinization. The samples were tested in a triaxial loading machine at a confining pressure of 50 MPa, pore pressure of 20 MPa, and temperature of 260°C, simulating a depth of 2 km under hydrostatic conditions. A pore pressure difference of up to 2 MPa was imposed across the ends of the sample. Fracture permeability decreased by 1–2 orders of magnitude during the 200–330 h experiments. Electron microprobe and SEM data indicated the formation of needle-shaped crystals of serpentine composition along the walls of the fracture, and chemical analyses of sampled pore fluids were consistent with dissolution of ferro-magnesian minerals. By comparing the difference between fracture permeability and matrix permeability measured on intact samples of the same rock types, we concluded that the contribution of the low matrix permeability to flow is negligible and essentially all of the flow is focused in the tensile fracture. The experimental results suggest that the fracture network in long-lived hydrothermal circulation systems can be sealed rapidly as a result of mineral precipitation, and generation of new permeability resulting from a combination of tectonic and crystallization-induced stresses is required to maintain fluid circulation.

Permeability structure of a highly heterogeneous transgressive-marine complex: Tocito Sandstone, New Mexico

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

Lambert, M.L.; Cole, R.D.

1996-01-01

The Tocito Sandstone Member of the Mancos Shale is an Upper Cretaceous shallow-marine sandstone and mudrock complex deposited along the western margin of the Western Interior seaway. The Tocito is a major hydrocarbon producer in the San Juan Basin (approximately 117 million barrels of oil and 79 billion cubic feet of gas). Because of reservoir heterogeneity, ultimate Tocito oil recovery factors are low, generally between 10 and 20 percent. To enhance understanding of permeability heterogeneity in the Tocito, we have undertaken a detailed surface and subsurface investigation. A total of 2,697 permeability measurements have been made using minipermeameters. Permeability variationmore » within the Tocito is controlled by two principal factors: lithofacies and burial/diagenetic history. Coarser grained and better sorted lithofacies have the highest permeability. The permeability values from outcrop and shallow subsurface cores are dramatically higher than those from deep subsurface cores. This is due to dissolution of grains and calcite cement, and decompaction that preferentially affected the outcrop and shallow subsurface. Correlation lengths for permeability values along horizontal transacts are typically less than 3 m, whereas those for vertical transacts are usually less than 0.6 m. These data suggest that small grid block sizes should be used during reservoir simulations if the investigator wishes to accurately capture the reservoir heterogeneity.« less

Permeability structure of a highly heterogeneous transgressive-marine complex: Tocito Sandstone, New Mexico

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

Lambert, M.L.; Cole, R.D.

1996-12-31

The Tocito Sandstone Member of the Mancos Shale is an Upper Cretaceous shallow-marine sandstone and mudrock complex deposited along the western margin of the Western Interior seaway. The Tocito is a major hydrocarbon producer in the San Juan Basin (approximately 117 million barrels of oil and 79 billion cubic feet of gas). Because of reservoir heterogeneity, ultimate Tocito oil recovery factors are low, generally between 10 and 20 percent. To enhance understanding of permeability heterogeneity in the Tocito, we have undertaken a detailed surface and subsurface investigation. A total of 2,697 permeability measurements have been made using minipermeameters. Permeability variationmore » within the Tocito is controlled by two principal factors: lithofacies and burial/diagenetic history. Coarser grained and better sorted lithofacies have the highest permeability. The permeability values from outcrop and shallow subsurface cores are dramatically higher than those from deep subsurface cores. This is due to dissolution of grains and calcite cement, and decompaction that preferentially affected the outcrop and shallow subsurface. Correlation lengths for permeability values along horizontal transacts are typically less than 3 m, whereas those for vertical transacts are usually less than 0.6 m. These data suggest that small grid block sizes should be used during reservoir simulations if the investigator wishes to accurately capture the reservoir heterogeneity.« less

Reactive Transport Modeling of CO2-induced Porosity and Permeability Changes in Heterogeneous Carbonate Rocks

NASA Astrophysics Data System (ADS)

Hao, Y.; Smith, M. M.; Mason, H. E.; Carroll, S.

2015-12-01

It has long been appreciated that chemical interactions have a major effect on rock porosity and permeability evolution and may alter the behavior or performance of both natural and engineered reservoir systems. Such reaction-induced permeability evolution is of particular importance for geological CO2 sequestration and storage associated with enhanced oil recovery. In this study we used a three-dimensional Darcy scale reactive transport model to simulate CO2 core flood experiments in which the CO2-equilibrated brine was injected into dolostone cores collected from the Arbuckle carbonate reservoir, Wellington, Kansas. Heterogeneous distributions of macro pores, fractures, and mineral phases inside the cores were obtained from X-ray computed microtomography (XCMT) characterization data, and then used to construct initial model macroscopic properties including porosity, permeability, and mineral compositions. The reactive transport simulations were performed by using the Nonisothermal Unsaturated Flow and Transport (NUFT) code, and their results were compared with experimental data. It was observed both experimentally and numerically that the dissolution fronts became unstable in highly heterogeneous and less permeable formations, leading to the development of highly porous flow paths or wormholes. Our model results indicate that the continuum-scale reactive transport models are able to adequately capture the evolution of distinct dissolution fronts as observed in carbonate rocks at a core scale. The impacts of rock heterogeneity, chemical kinetics and porosity-permeability relationships were also examined in this study. The numerical model developed in this study will not only help improve understanding of coupled physical and chemical processes controlling carbonate dissolution, but also provide a useful basis for upscaling transport and reaction properties from core scale to field scale. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

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.

Porosity and permeability determination of organic-rich Posidonia shales based on 3-D analyses by FIB-SEM microscopy

NASA Astrophysics Data System (ADS)

Grathoff, Georg H.; Peltz, Markus; Enzmann, Frieder; Kaufhold, Stephan

2016-07-01

The goal of this study is to better understand the porosity and permeability in shales to improve modelling fluid and gas flow related to shale diagenesis. Two samples (WIC and HAD) were investigated, both mid-Jurassic organic-rich Posidonia shales from Hils area, central Germany of different maturity (WIC R0 0.53 % and HAD R0 1.45 %). The method for image collection was focused ion beam (FIB) microscopy coupled with scanning electron microscopy (SEM). For image and data analysis Avizo and GeoDict was used. Porosity was calculated from segmented 3-D FIB based images and permeability was simulated by a Navier Stokes-Brinkman solver in the segmented images. Results show that the quantity and distribution of pore clusters and pores (≥ 40 nm) are similar. The largest pores are located within carbonates and clay minerals, whereas the smallest pores are within the matured organic matter. Orientation of the pores calculated as pore paths showed minor directional differences between the samples. Both samples have no continuous connectivity of pore clusters along the axes in the x, y, and z direction on the scale of 10 to 20 of micrometer, but do show connectivity on the micrometer scale. The volume of organic matter in the studied volume is representative of the total organic carbon (TOC) in the samples. Organic matter does show axis connectivity in the x, y, and z directions. With increasing maturity the porosity in organic matter increases from close to 0 to more than 5 %. These pores are small and in the large organic particles have little connection to the mineral matrix. Continuous pore size distributions are compared with mercury intrusion porosimetry (MIP) data. Differences between both methods are caused by resolution limits of the FIB-SEM and by the development of small pores during the maturation of the organic matter. Calculations show no permeability when only considering visible pores due to the lack of axis connectivity. Adding the organic matter with a background permeability of 1 × 10-21 m2 to the calculations, the total permeability increased by up to 1 order of magnitude for the low mature and decreases slightly for the overmature sample from the gas window. Anisotropy of permeability was observed. Permeability coefficients increase by 1 order of magnitude if simulations are performed parallel to the bedding. Our results compare well with experimental data from the literature suggesting that upscaling may be possible in the future as soon as maturity dependent organic matter permeability coefficients can be determined.

Permeable Reactive Barriers: Lessons Learned/New Directions

DTIC Science & Technology

2005-02-01

set up to treat simulated mine drainage indicates that the sulfide minerals form in close proximity to the organic solids (Waybrant, Ptacek, and...both vertically and horizontally along the PRB installation area. Groundwater and solute transport modeling can be used to simulate representative...2001; Elder, Benson, and Eykholt 2002). The numerical simulations show that the spatial variations in the hydraulic conductivity of both the aquifer

Computer simulation techniques for artificial modification of the ionosphere. Final report 31 jan 79-30 apr 81

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

Vance, B.; Mendillo, M.

1981-04-30

A three-dimensional model of the ionosphere was developed including chemical reactions and neutral and plasma transport. The model uses Finite Element Simulation to simulate ionospheric modification rather than solving a set of differential equations. The initial conditions of the Los Alamos Scientific Laboratory experiments, Lagopedo Uno and Dos, were input to the model, and these events were simulated. Simulation results were compared to ground and rocketborne electron-content measurements. A simulation of the transport of released SF6 was also made.

Si-Ca species modification and microwave sintering for NiZn ferrites

NASA Astrophysics Data System (ADS)

Yang, Yin-Ju; Sheu, Ching-Iuan; Cheng, Syh-Yuh; Chang, Horng-Yi

2004-12-01

NiZn ferrite particles were precoated with Si-Ca precursor by sol-gel method. Thus convention-sintered particles exhibited small grain size about 2 μm and lowered magnetic permeability as well as increased coercive magnetic field effectively. Microwave sintering could suppress grain growth as the same result of conventional sintering specimens with SiO2-CaO precoating. In microwave process, the grain growth inhibition expressed more obviously for the SiO2-CaO precoated specimens. The magnetic permeability (∼300) after SiO2-CaO precoating became lower than original ferrite (∼800) without SiO2-CaO precoating in conventional sintering. However, the magnetic permeability was lowered no matter whether SiO2-CaO precoating in microwave process. On the other hand, microwave sintering possessed short processing time, for example, 1250 °C/5 min, to prohibit ZnO volatilization in accompanied with grain size reduction. Therefore, such contribution increased resistivity to about 12×106 Ω cm compared to 3×106 Ω cm of original NiZn ferrite. The large coercive magnetic field (Hc) was ascribed to the superposition of small grain size and stress induced by microwave sintering.

Hyaluronan hydrogels with a low degree of modification as scaffolds for cartilage engineering.

PubMed

La Gatta, Annalisa; Ricci, Giulia; Stellavato, Antonietta; Cammarota, Marcella; Filosa, Rosanna; Papa, Agata; D'Agostino, Antonella; Portaccio, Marianna; Delfino, Ines; De Rosa, Mario; Schiraldi, Chiara

2017-10-01

In the field of cartilage engineering, continuing efforts have focused on fabricating scaffolds that favor maintenance of the chondrocytic phenotype and matrix formation, in addition to providing a permeable, hydrated, microporous structure and mechanical support. The potential of hyaluronan-based hydrogels has been well established, but the ideal matrix remains to be developed. This study describes the development of hyaluronan sponges-based scaffolds obtained by lysine methyl-ester crosslinking. The reaction conditions are optimized with minimal chemical modifications to obtain materials that closely resemble elements in physiological cellular environments. Three hydrogels with different amounts of crosslinkers were produced that show morphological, water-uptake, mechanical, and stability properties comparable or superior to those of currently available hyaluronan-scaffolds, but with significantly fewer hyaluronan modifications. Primary human chondrocytes cultured with the most promising hydrogel were viable and maintained lineage identity for 3 weeks. They also secreted cartilage-specific matrix proteins. These scaffolds represent promising candidates for cartilage engineering. Copyright © 2017 Elsevier B.V. All rights reserved.

Silane surface modification effects on the electromagnetic properties of phosphatized iron-based SMCs

NASA Astrophysics Data System (ADS)

Fan, Liang-Fang; Hsiang, Hsing-I.; Hung, Jia-Jing

2018-03-01

It is difficult to achieve homogeneous phosphatized iron powder dispersion in organic resins during the preparation of soft magnetic composites (SMCs). Inhomogeneous iron powder mixing in organic resins generally leads to the formation of micro-structural defects in SMCs and hence causes the magnetic properties to become worse. Phosphatized iron powder dispersion in organic resins can be improved by coating the phosphatized iron powder surfaces with a coupling agent. This study investigated the (3-aminopropyl) triethoxysilane (APTES) surface modification effects on the electromagnetic properties of phosphatized iron-based soft magnetic composites (SMCs). The results showed that the phosphatized iron powder surface can be modified using APTES to improve the phosphatized iron powder and epoxy resin compatibility and hence enhance phosphate iron powder epoxy mixing. The tensile strength, initial permeability, rated current under DC-bias superposition and magnetic loss in SMCs prepared using phosphatized iron powders can be effectively improved using APTES surface modification, which provides a promising candidate for power chip inductor applications.

Reactive transport under stress: Permeability evolution in deformable porous media

NASA Astrophysics Data System (ADS)

Roded, R.; Paredes, X.; Holtzman, R.

2018-07-01

We study reactive transport in a stressed porous media, where dissolution of the solid matrix causes two simultaneous, competing effects: pore enlargement due to chemical deformation, and pore compaction due to mechanical weakening. We use a novel, mechanistic pore-scale model to simulate flooding of a sample under fixed confining stress. Our simulations show that increasing the stress inhibits the permeability enhancement, increasing the injected volume required to reach a certain permeability, in agreement with recent experiments. We explain this behavior by stress concentration downstream, in the less dissolved (hence stiffer) outlet region. As this region is also less conductive, even its small compaction has a strong bottleneck effect that curbs the permeability. Our results also elucidate that the impact of stress depends on the dissolution regime. Under wormholing conditions (slow injection, i.e. high Damkohler number, Da), the development of a sharp dissolution front and high porosity contrast accentuates the bottleneck effect. This reduces transport heterogeneity, promoting wormhole competition. Once the outlet starts eroding, the extreme focusing of transport and hence dissolution-characteristic of wormholing-becomes dominant, diminishing the bottleneck effect and hence the impact of stress at breakthrough. In contrast, at high flow rates (low Da), incomplete reaction upstream allows some of the reactant to traverse the sample, causing a more uniform dissolution. The continuous dissolution and its partial counteraction by compaction at the outlet provides a steady, gradual increase in the effect of stress. Consequently, the impact of stress is more pronounced at high Da during early stages (low permeability), and at low Da close breakthrough. Our work promotes understanding of the interplay between dissolution and compaction and its effect on the hydromechanical property evolution, with important implications for processes ranging from diagenesis and weathering of rocks, to well stimulation and carbon sequestration.

A modified physiological BCS for prediction of intestinal absorption in drug discovery.

PubMed

Zaki, Noha M; Artursson, Per; Bergström, Christel A S

2010-10-04

In this study, the influence of physiologically relevant media on the compound position in a biopharmaceutical classification system (BCS) which resembled the intestinal absorption was investigated. Both solubility and permeability limited compounds (n = 22) were included to analyze the importance of each of these on the final absorption. Solubility was determined in three different dissolution media, phosphate buffer pH 6.5 (PhB 6.5), fasted state simulated intestinal fluid (FaSSIF), and fed state simulated intestinal fluid (FeSSIF) at 37 °C, and permeability values were determined using the 2/4/A1 cell line. The solubility data and membrane permeability values were used for sorting the compounds into a BCS modified to reflect the fasted and fed state. Three of the seven compounds sorted as BCS II in PhB 6.5 (high permeability, low solubility) changed their position to BCS I when dissolved in FaSSIF and/or FeSSIF (high permeability, high solubility). These were low dosed (20 mg or less) lipophilic molecules displaying solvation limited solubility. In contrast, compounds having solid-state limited solubility had a minor increase in solubility when dissolved in FaSSIF and/or FeSSIF. Although further studies are needed to enable general cutoff values, our study indicates that low dosed BCS Class II compounds which have solubility normally restricted by poor solvation may behave as BCS Class I compounds in vivo. The large series of compounds investigated herein reveals the importance of investigating solubility and dissolution under physiologically relevant conditions in all stages of the drug discovery process to push suitable compounds forward, to select proper formulations, and to reduce the risk of food effects.

Connexin Channel Permeability to Cytoplasmic Molecules

PubMed Central

Harris, Andrew L.

2007-01-01

Connexin channels are known to be permeable to a variety of cytoplasmic molecules. The first observation of second messenger junctional permeability, made ∼30 years ago, sparked broad interest in gap junction channels as mediators of intercellular molecular signaling. Since then, much has been learned about the diversity of connexin channels with regard to isoform diversity, tissue and developmental distribution, modes of channel regulation, assembly and expression, biochemical modification and permeability, all of which appear to be dynamically regulated. This information has expanded the potential roles of connexin channels in development, physiology and disease, and made their elucidation much more complex - 30 years ago such an orchestra of junctional dynamics was unanticipated. Only recently, however, have investigators been able to directly address, in this more complex framework, the key issue: What specific biological molecules, second messengers and others, are able to permeate the various types of connexin channels, and how well? An important related issue, given the ever-growing list of connexin-related pathologies, is how these permeabilities are altered by disease-causing connexin mutations. Together, many studies show that a variety of cytoplasmic molecules can permeate the different types of connexin channels. A few studies reveal differences in permeation by different molecules through a particular type of connexin channel, and differences in permeation by a particular molecule through different types of connexin channels. This article describes and evaluates the various methods used to obtain these data, presents an annotated compilation of the results, and discusses the findings in the context of what can be inferred about mechanism of selectivity and potential relevance to signaling. The data strongly suggest that highly specific interactions take place between connexin pores and specific biological molecular permeants, and that those interactions determine which cytoplasmic molecules can permeate and how well. At this time, the nature of those interactions is unclear. One hopes that with more detailed permeability and structural information, the specific molecular mechanisms of the selectivity can be elucidated. PMID:17470375

Epithelial Permeability Alterations in an In Vitro Air-Liquid Interface Model of Allergic Fungal Rhinosinusitis

PubMed Central

Den Beste, Kyle A.; Hoddeson, Elizabeth K.; Parkos, Charles A.; Nusrat, Asma; Wise, Sarah K.

2012-01-01

Background Chronic rhinosinusitis (CRS) is an inflammatory upper-airway disease with numerous etiologies. Patients with a characteristic subtype of CRS, allergic fungal rhinosinusitis (AFRS), display increased expression of Th2 cytokines and antigen-specific IgE. Various sinonasal inflammatory conditions are associated with alterations in epithelial barrier function. The aim of this study was to compare epithelial permeability and intercellular junctional protein expression amongst cultured primary sinonasal cells from AFRS patients versus non-inflammatory controls. Methods Epithelial cells isolated from paranasal sinus mucosa of AFRS and non-inflammatory control patients were grown to confluence on permeable supports and transitioned to air-liquid interface (ALI). Trans-epithelial resistance (TER) was measured with a horizontal Ussing chamber to characterize the functional permeability of each cell type. After TER recordings were complete, a panel of intercellular junctional proteins was assessed by Western blot and immunofluorescence labeling followed by confocal microscopy. Results After 12 samples were measured from each group, we observed a 41% mean decrease in TER in AFRS cells (296±89 ohms × cm2) compared to control (503±134 ohms × cm2, P=0.006). TER deficits observed in AFRS were associated with decreased expression of the tight junction proteins occludin and Junctional Adhesion Molecule-A (JAM-A), and increased expression of a leaky tight junction protein claudin-2. Conclusions Cultured sinonasal epithelium from AFRS patients displayed increased epithelial permeability and altered expression of intercellular junctional proteins. Given that these cells were not incubated with inflammatory cytokines in vitro, the cultured AFRS epithelial alterations may represent a retained modification in protein expression from the in vivo phenotype. PMID:22927233

Preferential Flow Paths and Recirculation-Disrupting Jets in the Leeside of Self-Forming Coarse-Grained Laboratory Bedforms

NASA Astrophysics Data System (ADS)

Lichtner, D.; Christensen, K. T.; Best, J.; Blois, G.

2014-12-01

Exchange of fluid in the near-subsurface of a streambed is influenced by turbulence in the free flow, as well as by bed topography and permeability. Macro-roughness elements such as bedforms are known to produce pressure gradients that drive fluid into the streambed on their stoss sides and out of the bed on their lee sides. To study the modification of the near-bed flow field by self-forming permeable bedforms, laboratory experiments were conducted in a 5 mm wide flume filled with 1.3 mm glass beads. The narrow width of the flume permitted detailed examination of the fluid exiting the bed immediately downstream of a bedform. Dense 2-D velocity field measurements were gathered using particle image velocimetry (PIV). In up to 8% of instantaneous PIV realizations, the flow at the near-bed presented a component perpendicular to the streambed, indicating flow across the interface. At the downstream side of the bedform, such flow disrupted the mean recirculation pattern that is typically observed in finer sediment beds. It is hypothesized that the coarse grain size and the resulting high bed permeability promote such near-surface jet events. A qualitative analysis of raw image frames indicated that an in-place jostling of sediment is associated with these jets thus suggesting that subsurface flow may be characterized by impulsive events. These observations are relevant to hyporheic exchange rates in coarse sediments and can have strong morphodynamic implications as they can explain the lack of ripples and characteristics of dunes in high permeability gravels. Overall, further study of the flow structure over highly permeable streambeds is needed to understand subsurface exchange and bedform initiation.

Land-atmosphere interactions over the continental United States

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

Zeng, Xubin

This paper briefly discusses four suggested modifications for land surface modeling in climate models. The impact of the modifications on climate simulations is analyzed with the Biosphere-Atmosphere Transfer Scheme (BATS) land surface model. It is found that the modifications can improve BATS simulations. In particular, the sensitivity of BATS to the prescribed value of physical root fraction which cannot be observed from satellite remote sensing or field experiments is improved. These modifications significantly reduce the excessive summer land surface temperature over the continental United States simulated by the National Center for Atmospheric Research Community Climate Model (CCM2) coupled with BATS.more » A land-atmosphere interaction mechanism involving energy and water cycles is proposed to explain the results. 9 refs., 1 fig.« less

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.

Understanding the hydrologic and geochemical control of regolith formation on shale in a hilly landscape

NASA Astrophysics Data System (ADS)

Xiao, D.; Brantley, S.; Li, L.

2017-12-01

Chemical weathering transforms rock to soil and determine soil texture, bedrock depth, and soil hydrological properties. At the Shale Hills watershed in central Pennsylvania, field evidence indicated that the regolith depth, hydrologic processes, and chemical depletion are different at the two aspects. Current regolith formation models considering reactive transport processes have a limitation in coupling complex and evolving hydrodynamic conditions. We hypothesize that deeper regolith forms when more water flushes dissolved mass out of the system. The hypothesis is tested by developing a two-dimensional regolith formation model at the hillslope scale using measured mineral composition and hydrologic properties at Shale Hills using CrunchFlow. A 2-D hillslope domain was setup to simulate hydrogeochemical processes at north and south aspects and to understand the evolution of hydrodynamics, rock properties, and extent of chemical reactions. The bedrock has the primary minerals of quartz, illite, chlorite, calcite, and pyrite; goethite and kaolinite precipitated as secondary minerals. The permeability, mass transfer, and groundwater table depth were constrained by field measurement. We implemented different recharge rates on north and south aspects based on the annually averaged fluxes from a current reanalysis using a hydrologic model. The simulation started from a homogeneous bedrock composition at 10,000 years ago. After 10,000 years' weathering, the south facing aspect with small recharge rate has a shallower soil and regolith. The simulation output indicates the formation of a shallow and a deep groundwater, based on the formation of lateral flow that connects to the stream. One is at the interface between high permeability soil zone and low permeability regolith zone, forming a relatively high-velocity perched groundwater layer. The remnant water infiltrates into the deeper low permeability zone and forms the regional groundwater layer. Because of high permeability in perched layer on north facing aspect, the remnant water in regional groundwater layer leads to shallower water table depth on north facing aspect. The model will be used to understand the role fractures, climate, and mineral compositions in affecting regolith formation.

Universal Linear Scaling of Permeability and Time for Heterogeneous Fracture Dissolution

NASA Astrophysics Data System (ADS)

Wang, L.; Cardenas, M. B.

2017-12-01

Fractures are dynamically changing over geological time scale due to mechanical deformation and chemical reactions. However, the latter mechanism remains poorly understood with respect to the expanding fracture, which leads to a positively coupled flow and reactive transport processes, i.e., as a fracture expands, so does its permeability (k) and thus flow and reactive transport processes. To unravel this coupling, we consider a self-enhancing process that leads to fracture expansion caused by acidic fluid, i.e., CO2-saturated brine dissolving calcite fracture. We rigorously derive a theory, for the first time, showing that fracture permeability increases linearly with time [Wang and Cardenas, 2017]. To validate this theory, we resort to the direct simulation that solves the Navier-Stokes and Advection-Diffusion equations with a moving mesh according to the dynamic dissolution process in two-dimensional (2D) fractures. We find that k slowly increases first until the dissolution front breakthrough the outbound when we observe a rapid k increase, i.e., the linear time-dependence of k occurs. The theory agrees well with numerical observations across a broad range of Peclet and Damkohler numbers through homogeneous and heterogeneous 2D fractures. Moreover, the theory of linear scaling relationship between k and time matches well with experimental observations of three-dimensional (3D) fractures' dissolution. To further attest to our theory's universality for 3D heterogeneous fractures across a broad range of roughness and correlation length of aperture field, we develop a depth-averaged model that simulates the process-based reactive transport. The simulation results show that, regardless of a wide variety of dissolution patterns such as the presence of dissolution fingers and preferential dissolution paths, the linear scaling relationship between k and time holds. Our theory sheds light on predicting permeability evolution in many geological settings when the self-enhancing process is relevant. References: Wang, L., and M. B. Cardenas (2017), Linear permeability evolution of expanding conduits due to feedback between flow and fast phase change, Geophys. Res. Lett., 44(9), 4116-4123, doi: 10.1002/2017gl073161.

Complementary analyses of hollow cylindrical unioriented permanent magnet (HCM) with high permeability external layer

NASA Astrophysics Data System (ADS)

Lobo, Carlos M. S.; Tosin, Giancarlo; Baader, Johann E.; Colnago, Luiz A.

2017-10-01

In this article, several studies based on analytical expressions and computational simulations on Hollow Cylindrical Magnets with an external soft ferromagnetic material (HCM magnets) are presented. Electromagnetic configurations, as well as permanent-magnet-based structures, are studied in terms of magnetic field strength and homogeneity. Permanent-magnet-based structures are further analyzed in terms of the anisotropy of the magnetic permeability. It was found that the HCM magnets produce a highly homogeneous magnetic field as long as the magnetic material is isotropic. The dependency of the magnetic field strength and homogeneity in terms of the anisotropy of the magnetic permeability is also explored here. These magnets can potentially be used in medium-resolution NMR spectrometers and high-field NMR spectrometers.

Cross-Shore Numerical Model CSHORE for Waves, Currents, Sediment Transport and Beach Profile Evolution

DTIC Science & Technology

2012-09-01

still water shoreline. This modification is necessary for a berm that is slanted downward toward the toe of a dune . The wet probability Pw on the...high dune provides storm protection and damage reduction, recreational and economical benefits, and biological habitats for plants and animals. Most...has been used to predict wave overwash of dunes . The hydrodynamic model has also been extended to the wet and dry zone on a permeable bottom for

Role of Pore-Lining Residues in Defining the Rate of Water Conduction by Aquaporin-0.

PubMed

Saboe, Patrick O; Rapisarda, Chiara; Kaptan, Shreyas; Hsiao, Yu-Shan; Summers, Samantha R; De Zorzi, Rita; Dukovski, Danijela; Yu, Jiaheng; de Groot, Bert L; Kumar, Manish; Walz, Thomas

2017-03-14

Compared to other aquaporins (AQPs), lens-specific AQP0 is a poor water channel, and its permeability was reported to be pH-dependent. To date, most water conduction studies on AQP0 were performed on protein expressed in Xenopus oocytes, and the results may therefore also reflect effects introduced by the oocytes themselves. Experiments with purified AQP0 reconstituted into liposomes are challenging because the water permeability of AQP0 is only slightly higher than that of pure lipid bilayers. By reconstituting high amounts of AQP0 and using high concentrations of cholesterol to reduce the permeability of the lipid bilayer, we improved the signal-to-noise ratio of water permeability measurements on AQP0 proteoliposomes. Our measurements show that mutation of two pore-lining tyrosine residues, Tyr-23 and Tyr-149 in sheep AQP0, to the corresponding residues in the high-permeability water channel AQP1 have additive effects and together increase the water permeability of AQP0 40-fold to a level comparable to that of AQP1. Molecular dynamics simulations qualitatively support these experimental findings and suggest that mutation of Tyr-23 changes the pore profile at the gate formed by residue Arg-187. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Membrane permeability as a cause of transport defects in experimental Fanconi syndrome. A new hypothesis.

PubMed Central

Bergeron, M; Dubord, L; Hausser, C; Schwab, C

1976-01-01

The injection of sodium maleate (200-400 mg/kg) into rats produces aminoaciduria along with glycosuria and phosphaturia, resembling the Fanconi syndrome. This experimental model was studied by means of microinjections into proximal convoluted tubules of the kidney, stop-flow diuresis, and microperfusion of single nephrons. Our results show that, in maleate-treated rats, competition between amino acids or related structures (L-proline, L-OH-proline, and glycine) possesses the same characteristics, and net influx of amino acids appear normal at the proximal nephron. Data obtained by classical stop-flow techniques and single nephron microperfusions also indicate a normal entry of labeled amino acids (L-lysine, glycine, L-valine, L-proline, L-cystine), and 3-0-methyl-D-[3H]glucose and [32P]phosphate from the luminal side of the proximal tubule cell. However, the efflux of molecules from the cell appears enhanced throughout the proximal and distal tubule; molecules that exit at this site are excreted directly into the urine. Our results suggest that the phosphaturia, aminoaciduria, and glycosuria of the experimental Fanconi syndrome can be explained by a modification of the cell membrane permeability (increased efflux) at distal sites of the nephron rather than by a modification of the membrane transport (decreased influx) at the proximal sites, as is currently accepted. Our data also stress the importance of efflux phenomena in membrane transport. PMID:1262464

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

Cobb, M. A.; Dockter, R. E.

The permeability of ground surfaces within the U.S. Department of Energy’s (DOE) Hanford Site strongly influences boundary conditions when simulating the movement of groundwater using the Subsurface Transport Over Multiple Phases model. To conduct site-wide modeling of cumulative impacts to groundwater from past, current, and future waste management activities, a site-wide assessment of the permeability of surface conditions is needed. The surface condition of the vast majority of the Hanford Site has been and continues to be native soils vegetated with dryland grasses and shrubs.

Numerical simulations of heat transfer through fractured rock for an enhanced geothermal system development in Seokmodo, Korea

NASA Astrophysics Data System (ADS)

Shin, Jiyoun; Kim, Kyung-Ho; Hyun, Yunjung; Lee, Kang-Keun

2010-05-01

Estimating the expected capacity and efficiency of energy is a crucial issue in the construction of geothermal plant. It is the lasting temperature of extracted geothermal water that determines the effectiveness of enhanced geothermal systems (EGS), so the heat transfer processes in geothermal reservoirs under site-specific geologic conditions should be understood first. The construction of the first geothermal plant in Korea is under planning in Seokmodo, where a few flowing artesian wells showing relatively high water temperature of around 70°C were discovered lately. The site of interest is a part of the island region, consisting of the reclaimed land surrounded by the sea and small mountains. Geothermal gradient measures approximately 45°C/km and the geothermal water is as saline as seawater. Geologic structure in this region is characterized by the fractured granite. In this study, thermo-hydrological (TH) numerical simulations for the temperature evolution in a fractured geothermal reservoir under the supposed injection-extraction operating conditions were carried out using TOUGH2. Multiple porosity model which is useful to calculate the transient interporosity flow in TH coupled heat transfer problem was used in simulations. Several fracture planes which had been investigated in the field were assigned to have highly permeable properties in order to avoid the averaging approximation and describe the dominant flow through the fractures. This heterogeneous model showed the rise of relatively hot geothermal water in the densely fractured region. The temperature of the extracted geothermal water also increased slowly for 50 years due to the rising flow through the fractures. The most sensitive factor which affects the underground thermal distribution and temperature of geothermal water was permeability of the medium. Change in permeabilities of rock and fracture within the range of 1 order might cause such an extreme change in the temperature of geothermal water that the measurement of the permeability should be performed through a very careful process in order to guarantee a reliable simulation. As the fracture spacing became narrower, overall thermal distribution appeared to be similar to that from EPM model. This suggests that EPM model, which is easy to design and takes less time, can be replaced for the densely fractured medium. Change in fracture aperture within the range of that of actual rocks did not cause a remarkable difference in temperature distribution, which means that measuring accuracy of the actual aperture value in rocks is relatively less important. This demonstrates that the distribution and the structure of fracture system make a great contribution to the whole simulation for fluid and heat flow mechanisms in geologic medium, and thus require an intensive geologic investigation for the fractures including strike and dip information, permeability and connecting relation. In addition, the simulation results show that the heterogeneous model can include the description for the significant fracture flow and it can be a practical tool for a site-specific simulation for EGS sites. This preliminary simulation was useful to estimate the scale of the geothermal reservoir and the energy potential in Seokmodo and it can be further expanded to a long-term simulation to predict the evolution of the geothermal reservoir under the potential EGS operations. Acknowledgement: This study was financially supported by KIGAM, KETEP and BK21.

Heat-energy storage through semi-opened circulation into low-permeability hard-rock aquifers

NASA Astrophysics Data System (ADS)

Pettenati, Marie; Bour, Olivier; Ausseur, Jean-Yves; de Dreuzy, Jean-Raynald; de la Bernardie, Jérôme; Chatton, Eliot; Lesueur, Hervé; Bethencourt, Lorine; Mougin, Bruno; Aquilina, Luc; Koch, Florian; Dewandel, Benoit; Boisson, Alexandre; Mosser, Jean-François; Pauwels, Hélène

2016-04-01

In low-permeability environments, the solutions of heat storage are still limited to the capacities of geothermal borehole heat exchangers. The ANR Stock-en-Socle project explores the possibilities of periodic storage of sensitive heat1 in low-permeability environments that would offer much better performance than that of borehole heat exchangers, especially in terms of unit capacity. This project examines the storage possibilities of using semi-open water circulation in typically a Standing Column Well (SCW), using the strong heterogeneity of hard-rock aquifers in targeting the least favorable areas for water resources. To solve the main scientific issues, which include evaluating the minimum level of permeability required around a well as well as its evolution through time (increase and decrease) due to water-rock interaction processes, the study is based on an experimental program of fieldwork and modelling for studying the thermal, hydraulic and geochemical processes involved. This includes tracer and water-circulation tests by injecting hot water in different wells located in distinct hard-rock settings (i.e. granite and schist) in Brittany, Ploemeur (H+ observatory network) and Naizin. A numerical modelling approach allows studying the effects of permeability structures on the storage and heat-recovery capacities, whereas the modelling of reactive transfers will provide an understanding of how permeability evolves under the influence of dissolution and precipitation. Based on the obtained results, technical solutions will be studied for constructing a well of the SCW type in a low-permeability environment. This work will be completed by a technical and economic feasibility study leading to an investment and operations model. This study aims to describe the suitability of SCW storage for shallow geothermal energy. In order to reach these objectives, Stock-en-Socle is constructed around a public/private partnership between two public research organizations, Géosciences Rennes and BRGM, and two companies, Antea Group and Soletanche Bachy, experts in groundwater and geothermal energy. 1Sensitive heat: modifies the temperature of water and its surrounding solids without modification of physical properties, as opposed to latent heat that causes a phase change, such as vaporization.

Semi-permeable coatings fabricated from comb-polymers efficiently protect proteins in vivo

NASA Astrophysics Data System (ADS)

Liu, Mi; Johansen, Pål; Zabel, Franziska; Leroux, Jean-Christophe; Gauthier, Marc A.

2014-11-01

In comparison to neutral linear polymers, functional and architecturally complex (that is, non-linear) polymers offer distinct opportunities for enhancing the properties and performance of therapeutic proteins. However, understanding how to harness these parameters is challenging, and studies that capitalize on them in vivo are scarce. Here we present an in vivo demonstration that modification of a protein with a polymer of appropriate architecture can impart low immunogenicity, with a commensurably low loss of therapeutic activity. These combined properties are inaccessible by conventional strategies using linear polymers. For the model protein L-asparaginase, a comb-polymer bio-conjugate significantly outperformed the linear polymer control in terms of lower immune response and more sustained bioactivity. The semi-permeability characteristics of the coatings are consistent with the phase diagram of the polymer, which will facilitate the application of this strategy to other proteins and with other therapeutic models.

Hydrophobic and porous cellulose nanofibrous screen for efficient particulate matter (PM2.5) blocking

NASA Astrophysics Data System (ADS)

Chen, Liping; Guo, Yi; Peng, Xinsheng

2017-10-01

Particulate matter (PM2.5) pollution in air seriously affects public health. However, both bulk thickness and the accumulation of PM particles typically lead to a quick decline in the air permeability and large pressure drops of the conventional air clean membranes. In this work, we choose cellulose nanofibers (CNFs, a low cost, biodegradable and sustainable material) to form a hydrophobic and porous CNF thin layer on a stainless steel screen (300 mesh with pore size of 48 µm) through a simple filtration-assisted gelation process and subsequent polydimethylsiloxane modification. The prepared hydrophobic CNFs/stainless steel screen demonstrates highly efficient PM2.5 blocking based on size-sieving effect, fast air permeability and long-term durability under natural ventilation conditions in the relative humidity range from 45% to 93%. This technique holds great potential for indoor PM2.5 blocking under natural ventilation conditions.

Antibiotic development challenges: the various mechanisms of action of antimicrobial peptides and of bacterial resistance

PubMed Central

Guilhelmelli, Fernanda; Vilela, Nathália; Albuquerque, Patrícia; Derengowski, Lorena da S.; Silva-Pereira, Ildinete; Kyaw, Cynthia M.

2013-01-01

Antimicrobial peptides (AMPs) are natural antibiotics produced by various organisms such as mammals, arthropods, plants, and bacteria. In addition to antimicrobial activity, AMPs can induce chemokine production, accelerate angiogenesis, and wound healing and modulate apoptosis in multicellular organisms. Originally, their antimicrobial mechanism of action was thought to consist solely of an increase in pathogen cell membrane permeability, but it has already been shown that several AMPs do not modulate membrane permeability in the minimal lethal concentration. Instead, they exert their effects by inhibiting processes such as protein and cell wall synthesis, as well as enzyme activity, among others. Although resistance to these molecules is uncommon several pathogens developed different strategies to overcome AMPs killing such as surface modification, expression of efflux pumps, and secretion of proteases among others. This review describes the various mechanisms of action of AMPs and how pathogens evolve resistance to them. PMID:24367355

ALEGRA-MHD Simulations for Magnetization of an Ellipsoidal Inclusion

DTIC Science & Technology

2017-08-01

diffusion has saturated. The simplicity of the interior solution lends itself well to verification of computational electromagnetic simulations...magnetic diffusion, permeability, computational electromagnetism , verification, magnetohydrodynamics 16. SECURITY CLASSIFICATION OF: 17. LIMITATION... electromagnetic phenomena including magnetohydrodynamics (MHD). This multiphysics capability is a key feature of ALEGRA and the result of many years of

The Generation of Barriers to Melt Ascent in the Martian Lithosphere

NASA Astrophysics Data System (ADS)

Schools, Joe W.; Montési, Laurent G. J.

2018-01-01

Planetary mantles can be regarded as an aggregate of two phases: a solid, porous matrix and a liquid melt. Melt travels rapidly upward through the matrix due to its buoyancy. When this melt enters the colder lithosphere, it begins to crystallize. If crystallization happens at a high rate, the newly formed crystals can clog the pore space, reducing its permeability to essentially zero. This zone of zero permeability is the permeability barrier. We use the MELTS family of thermodynamic calculators to determine melt compositions and the crystallization sequence of ascending melt throughout Martian history and simulate the formation of permeability barriers. At lower strain rates (10-17-10-15 s-1) permeability barriers form deep in the lithosphere, possibly contributing to the formation of localized volcanic edifices on the Martian surface once fracturing or thermal erosion enables melt to traverse the lithosphere. Higher strain rates (10-13 s-1) yield shallower permeability barriers, perhaps producing extensive lava flows. Permeability barrier formation is investigated using an anhydrous mantle source or mantle sources that include up to 1,000 ppm H2O. Introducing even small amounts of water (25 ppm H2O) reduces mantle viscosity in a manner similar to increasing the strain rate and results in a shallower barrier than in the anhydrous case. Large amounts of water (1,000 ppm H2O) yield very shallow weak barriers or no barriers at all. The depth of the permeability barrier has evolved through time, likely resulting in a progression in the style of surface volcanism from widespread flows to massive, singular volcanoes.

Ferrite HOM Absorber for the RHIC ERL

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

Hahn,H.; Choi, E.M.; Hammons, L.

A superconducting Energy Recovery Linac is under construction at Brookhaven National Laboratory to serve as test bed for RHIC upgrades. The damping of higher-order modes in the superconducting five-cell cavity for the Energy-Recovery linac at RHIC is performed exclusively by two ferrite absorbers. The ferrite properties have been measured in ferrite-loaded pill box cavities resulting in the permeability values given by a first-order Debye model for the tiled absorber structure and an equivalent permeability value for computer simulations with solid ring dampers. Measured and simulated results for the higher-order modes in the prototype copper cavity are discussed. First room-temperature measurementsmore » of the finished niobium cavity are presented which confirm the effective damping of higher-order modes in the ERL. by the ferrite absorbers.« less

Intestinal permeability and Ménière's disease.

PubMed

Di Berardino, F; Zanetti, D; Ciusani, E; Caccia, C; Leoni, V; De Grazia, U; Filipponi, E; Elli, L

Ménière disease (MD) is a multifactorial chronic disabling condition characterized by episodic vertigo, ear fullness, and hearing loss. MD patients often complain of aspecific gastrointestinal symptoms associated with autonomic dysregulation, frequently outweighed by the otological manifestations. Dietary modifications have been reported to improve the typical MD symptoms in some cases. Our purpose was to test the urinary levels of lactulose and mannitol (double sugar test) and the fecal calprotectin, both markers of altered intestinal permeability, in subjects with definite MD in an active and inactive stage. Twenty-six with definite unilateral MD were studied: 14 patients were symptomatic for at least 3months with moderate to severe vertigo spells and a functional level ≥4; 12 patients had been asymptomatic (no vertigo spells) for at least 3months and had a functional level=1 at the time of testing. Twenty healthy volunteers were recruited as "control group". Lactulose and mannitol absorption was significantly increased in the symptomatic M patients compared to the asymptomatic group (p<0.02 and p<0.004, respectively) and to the controls. FC were also higher than normal only in the symptomatic group. (p<0.01). An altered intestinal permeability, according to the two assays, was found only in symptomatic MD patients. The rationale for a possible relationship between MD and intestinal permeability is forwarded. The double-sugar test and FC quantification might be implemented in the MD diagnostic workup. Copyright © 2017 Elsevier Inc. All rights reserved.

Numerical investigation of permeability models for low viscosity magmas: Application to the 2007 Stromboli effusive eruption

NASA Astrophysics Data System (ADS)

La Spina, G.; Polacci, M.; Burton, M.; de'Michieli Vitturi, M.

2017-09-01

Magma permeability is the most important factor controlling the transition between effusive and explosive styles during magma ascent at active volcanoes. When magma permeability is low, gas bubbles in the melt expand as the pressure decreases; above a critical gas volume fraction threshold, magma fragments, generating an explosive eruption. On the contrary, if magma is sufficiently permeable, gas ascends through the conduit towards the surface faster than the magma ascent speed, producing decoupling of gas and magma and reducing the maximum vesicularity. This decoupled flow inhibits fragmentation and leads to either an effusive eruption or quiescent degassing. Accurate modelling of permeability behaviour is therefore fundamental when simulating magma ascent processes. In this work, we compare different permeability models for low viscosity magmas using a 1D steady-state model. We use, as a test case, the 2007 effusive eruption at Stromboli volcano, Italy. We compare the numerical solutions computed using the linear Darcy's law with those obtained using the non-linear Forchheimer relation. Our numerical results show that, using Darcy's law and appropriate permeability models, it is possible to obtain an effusive eruption in agreement with observations. However, we found that, in the shallow conduit, the limit of applicability of Darcy's law (that is the modified Reynolds number Rem < 10) is exceeded due to high gas flow rates. Furthermore, we show that using Forchheimer's law and some parametric expressions for viscous and inertial permeabilities, results can be compatible with an effusive eruption, once appropriate values are chosen. However, one of the parameters required to obtain an effusive eruption, the friction coefficient between gas and melt, is several orders of magnitude lower than that determined from measurements of solid erupted samples. This result requires further experimental verification. We propose that our novel permeability modelling regime is suitable for basaltic volcanism. We highlight that permeabilities derived from studying solid samples are not representative of the actual permeability of a molten magma, at least in the case of low viscosity basaltic magmas. These findings have fundamental implications for the quantification of permeability, modelling of volcanic processes and volcanic eruption dynamics, and the forecasting of volcanic eruptions.

Simulation of a supersonic flow around a body with a frontal gas-permeable insert by using a skeleton model of a highly porous cellular material

NASA Astrophysics Data System (ADS)

Poplavskaya, T. V.; Kirilovskiy, S. V.; Mironov, S. G.

2017-10-01

Numerical simulation of supersonic flow past a cylinder with a frontal gas-permeable insert is performed using the skeleton model of a highly porous cellular material. Numerical simulation was carried out within the framework of two-dimensional RANS equations written in an axisymmetric form. The skeleton model is a system of coaxial rings of different diameters, arranged in staggered order. The calculations were carried out in a wide range of determining parameters: Mach numbers M∞ = 3, 4.85 and 7, unit Reynolds numbers Re1∞ = 13.8×105 ÷ 13.8×106 m-1, the cylinder diameter 6÷40mm, the length of the porous insert 3÷45mm, the cell diameter of 1 and 3 mm. The results of the calculations are consistent with the available experimental data. The applicability of the skeleton model for the description of supersonic flow around axisymmetric bodies with front inserts from cellular-porous materials is shown.

Structure and physical characteristics of pumice from the climactic eruption of Mount Mazama (Crater Lake), Oregon

USGS Publications Warehouse

Klug, C.; Cashman, K.; Bacon, C.

2002-01-01

The vesicularity, permeability, and structure of pumice clasts provide insight into conditions of vesiculation and fragmentation during Plinian fall and pyroclastic flow-producing phases of the ???7,700 cal. year B.P. climactic eruption of Mount Mazama (Crater Lake), Oregon. We show that bulk properties (vesicularity and permeability) can be correlated with internal textures and that the clast structure can be related to inferred changes in eruption conditions. The vesicularity of all pumice clasts is 75-88%, with >90% interconnected pore volume. However, pumice clasts from the Plinian fall deposits exhibit a wider vesicularity range and higher volume percentage of interconnected vesicles than do clasts from pyroclastic-flow deposits. Pumice permeabilities also differ between the two clast types, with pumice from the fall deposit having higher minimum permeabilities (???5??10-13 m2) and a narrower permeability range (5-50??10-13 m2) than clasts from pyroclastic-flow deposits (0.2-330??10-13 m2). The observed permeability can be modeled to estimate average vesicle aperture radii of 1-5 ??m for the fall deposit clasts and 0.25-1 ??m for clasts from the pyroclastic flows. High vesicle number densities (???109 cm-3) in all clasts suggest that bubble nucleation occured rapidly and at high supersaturations. Post-nucleation modifications to bubble populations include both bubble growth and coalescence. A single stage of bubble nucleation and growth can account for 35-60% of the vesicle population in clasts from the fall deposits, and 65-80% in pumice from pyroclastic flows. Large vesicles form a separate population which defines a power law distribution with fractal dimension D=3.3 (range 3.0-3.5). The large D.value, coupled with textural evidence, suggests that the large vesicles formed primarily by coalescence. When viewed together, the bulk properties (vesicularity, permeability) and textural characteristics of all clasts indicate rapid bubble nucleation followed by bubble growth, coalescence and permeability development. This sequence of events is best explained by nucleation in response to a downward-propagating decompression wave, followed by rapid bubble growth and coalescence prior to magma disruption by fragmentation. The heterogeneity of vesicle sizes and shapes, and the absence of differential expansion across individual clasts, suggest that post-fragmentation expansion played a limited role in the development of pumice structure. The higher vesicle number densities and lower permeabilities of pyroclastic-flow clasts indicate limited coalescence and suggest that fragmentation occurred shortly after decompression. Either increased eruption velocities or increased depth of fragmentation accompanying caldera collapse could explain compression of the pre-fragmentation vesiculation interval.

The increase of apatite layer formation by the poly(3-hydroxybutyrate) surface modification of hydroxyapatite and β-tricalcium phosphate.

PubMed

Szubert, M; Adamska, K; Szybowicz, M; Jesionowski, T; Buchwald, T; Voelkel, A

2014-01-01

The aim of this study was the surface modification of hydroxyapatite and β-tricalcium phosphate by poly(3-hydroxybutyrate) grafting and characterization of modificates. The bioactivity examination was carried out by the determination to grow an apatite layer on modified materials during incubation in simulated body fluid at 37°C. The additional issue taken up in this paper was to investigate the influence of fluid replacement. The process of the surface modification of biomaterials was evaluated by means of infrared and Raman spectroscopy. Formation of the apatite layer was assessed by means of scanning electron microscopy and confirmed by energy dispersive, Raman and Fourier transformed infrared spectroscopy. During exposure in simulated body fluid, the variation of the zeta potential, pH measurement and relative weight was monitored. Examination of scanning electron microscopy micrographs suggests that modification of hydroxyapatite and β-tricalcium phosphate by poly(3-hydroxybutyrate) significantly increases apatite layer formation. Raman spectroscopy evaluation revealed that the formation of the apatite layer was more significant in the case of hydroxyapatite modificate, when compared to the β-tricalcium phosphate modificate. Both modificates were characterized by stable pH, close to the natural pH of human body fluids. Furthermore, we have shown that a weekly changed, simulated body fluid solution increases apatite layer formation. © 2013.

Hydraulic fracturing fluid migration in the subsurface: A review and expanded modeling results

NASA Astrophysics Data System (ADS)

Birdsell, Daniel T.; Rajaram, Harihar; Dempsey, David; Viswanathan, Hari S.

2015-09-01

Understanding the transport of hydraulic fracturing (HF) fluid that is injected into the deep subsurface for shale gas extraction is important to ensure that shallow drinking water aquifers are not contaminated. Topographically driven flow, overpressured shale reservoirs, permeable pathways such as faults or leaky wellbores, the increased formation pressure due to HF fluid injection, and the density contrast of the HF fluid to the surrounding brine can encourage upward HF fluid migration. In contrast, the very low shale permeability and capillary imbibition of water into partially saturated shale may sequester much of the HF fluid, and well production will remove HF fluid from the subsurface. We review the literature on important aspects of HF fluid migration. Single-phase flow and transport simulations are performed to quantify how much HF fluid is removed via the wellbore with flowback and produced water, how much reaches overlying aquifers, and how much is permanently sequestered by capillary imbibition, which is treated as a sink term based on a semianalytical, one-dimensional solution for two-phase flow. These simulations include all of the important aspects of HF fluid migration identified in the literature review and are performed in five stages to faithfully represent the typical operation of a hydraulically fractured well. No fracturing fluid reaches the aquifer without a permeable pathway. In the presence of a permeable pathway, 10 times more fracturing fluid reaches the aquifer if well production and capillary imbibition are not included in the model.

Integration of fracturing dynamics and pressure transient analysis for hydraulic fracture evaluation

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

Arihara, N.; Abbaszadeh, M.; Wright, C.A.

This paper presents pre- and post-fracture pressure transient analysis, combined with net fracture pressure interpretation, for a well in a naturally fractured geothermal reservoir. Integrated analysis was performed to achieve a consistent interpretation of the created fracture geometry, propagation, conductivity, shrinkage, reservoir flow behavior, and formation permeability characteristics. The interpreted data includes two-rate pre-frac injection tests, step-rate injection tests, a series of pressure falloff tests, and the net fracturing pressure from a massive fracture treatment. Pressure transient analyses were performed utilizing advanced well test interpretation techniques and a thermal reservoir simulator with fracture propagation option. Hydraulic fracture propagation analysis wasmore » also performed Milt a generalized 3-D dynamic fracture growth model simulator. Three major conclusions resulted from the combined analysis: (1) that an increasing number of hydraulic fractures were being simultaneously propagated during the fracture treatment. (2) that the reservoir behaved as a composite reservoir Keith the outer region permeability being greater than the permeability of the region immediately surrounding the wellbore, and (3) that the created fractures extended into the outer region during the fracture treatment but retreated to the inner region several days after stimulation had ceased. These conclusions were apparent from independent pressure transient analysis and from independent hydraulic fracture propagation analysis. Integrated interpretation, however, increased the confidence in these conclusions and greatly aided the quantification of the created hydraulic fracture geometry and characterization of the reservoir permeability.« less

The 3D pore structure and fluid dynamics simulation of macroporous monoliths: High permeability due to alternating channel width.

PubMed

Jungreuthmayer, Christian; Steppert, Petra; Sekot, Gerhard; Zankel, Armin; Reingruber, Herbert; Zanghellini, Jürgen; Jungbauer, Alois

2015-12-18

Polymethacrylate-based monoliths have excellent flow properties. Flow in the wide channel interconnected with narrow channels is theoretically assumed to account for favorable permeability. Monoliths were cut into 898 slices in 50nm distances and visualized by serial block face scanning electron microscopy (SBEM). A 3D structure was reconstructed and used for the calculation of flow profiles within the monolith and for calculation of pressure drop and permeability by computational fluid dynamics (CFD). The calculated and measured permeabilities showed good agreement. Small channels clearly flowed into wide and wide into small channels in a repetitive manner which supported the hypothesis describing the favorable flow properties of these materials. This alternating property is also reflected in the streamline velocity which fluctuated. These findings were corroborated by artificial monoliths which were composed of regular (interconnected) cells where narrow cells followed wide cells. In the real monolith and the artificial monoliths with interconnected flow channels similar velocity fluctuations could be observed. A two phase flow simulation showed a lateral velocity component, which may contribute to the transport of molecules to the monolith wall. Our study showed that the interconnection of small and wide pores is responsible for the excellent pressure flow properties. This study is also a guide for further design of continuous porous materials to achieve good flow properties. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

The use of reflective and permeable pavements as a potential practice for heat island mitigation and stormwater management

NASA Astrophysics Data System (ADS)

Li, H.; Harvey, J. T.; Holland, T. J.; Kayhanian, M.

2013-03-01

To help address the built environmental issues of both heat island and stormwater runoff, strategies that make pavements cooler and permeable have been investigated through measurements and modeling of a set of pavement test sections. The investigation included the hydraulic and thermal performance of the pavements. The permeability results showed that permeable interlocking concrete pavers have the highest permeability (or infiltration rate, ˜0.5 cm s-1). The two permeable asphalt pavements showed the lowest permeability, but still had an infiltration rate of ˜0.1 cm s-1, which is adequate to drain rainwater without generating surface runoff during most typical rain events in central California. An increase in albedo can significantly reduce the daytime high surface temperature in summer. Permeable pavements under wet conditions could give lower surface temperatures than impermeable pavements. The cooling effect highly depends on the availability of moisture near the surface layer and the evaporation rate. The peak cooling effect of watering for the test sections was approximately 15-35 °C on the pavement surface temperature in the early afternoon during summer in central California. The evaporative cooling effect on the pavement surface temperature at 4:00 pm on the third day (25 h after watering) was still 2-7 °C lower compared to that on the second day, without considering the higher air temperature on the third day. A separate and related simulation study performed by UCPRC showed that full depth permeable pavements, if designed properly, can carry both light-duty traffic and certain heavy-duty vehicles while retaining the runoff volume captured from an average California storm event. These preliminarily results indicated the technical feasibility of combined reflective and permeable pavements for addressing the built environment issues related to both heat island mitigation and stormwater runoff management.

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.

Episodic fluid flow in the Nankai accretionary complex: Timescale, geochemistry, flow rates, and fluid budget

USGS Publications Warehouse

Saffer, D.M.; Bekins, B.A.

1998-01-01

Down-hole geochemical anomalies encountered in active accretionary systems can be used to constrain the timing, rates, and localization of fluid flow. Here we combine a coupled flow and solute transport model with a kinetic model for smectite dehydration to better understand and quantify fluid flow in the Nankai accretionary complex offshore of Japan. Compaction of sediments and clay dehydration provide fluid sources which drive the model flow system. We explicitly include the consolidation rate of underthrust sediments in our calculations to evaluate the impact that variations in this unknown quantity have on pressure and chloride distribution. Sensitivity analysis of steady state pressure solutions constrains bulk and flow conduit permeabilities. Steady state simulations with 30% smectite in the incoming sedimentary sequence result in minimum chloride concentrations at site 808 of 550 mM, but measured chlorinity is as low as 447 mM. We simulate the transient effects of hydrofracture or a strain event by assuming an instantaneous permeability increase of 3-4 orders of magnitude along a flow conduit (in this case the de??collement), using steady state results as initial conditions. Transient results with an increase in de??collement permeability from 10-16 m2 to 10-13 m2 and 20% smectite reproduce the observed chloride profile at site 808 after 80-160 kyr. Modeled chloride concentrations are highly sensitive to the consolidation rate of underthrust sediments, such that rapid compaction of underthrust material leads to increased freshening. Pressures within the de??collement during transient simulations rise rapidly to a significant fraction of lithostatic and remain high for at least 160 kyr, providing a mechanism for maintaining high permeability. Flow rates at the deformation front for transient simulations are in good agreement with direct measurements, but steady state flow rates are 2-3 orders of magnitude smaller than observed. Fluid budget calculations indicate that nearly 71% of the incoming water in the sediments leaves the accretionary wedge via diffuse flow out the seafloor, 0-5% escapes by focused flow along the de??collement, and roughly 1% is subducted. Copyright 1998 by the American Geophysical Union.

Relative permeabilities of supercritical CO2 and brine in carbon sequestration by a two-phase lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Xie, Jian.-Fei.; He, S.; Zu, Y. Q.; Lamy-Chappuis, B.; Yardley, B. W. D.

2017-08-01

In this paper, the migration of supercritical carbon dioxide (CO2) in realistic sandstone rocks under conditions of saline aquifers, with applications to the carbon geological storage, has been investigated by a two-phase lattice Boltzmann method (LBM). Firstly the digital images of sandstone rocks were reproduced utilizing the X-ray computed microtomography (micro-CT), and high resolutions (up to 2.5 μm) were applied to the pore-scale LBM simulations. For the sake of numerical stability, the digital images were "cleaned" by closing the dead holes and removing the suspended particles in sandstone rocks. In addition, the effect of chemical reactions occurred in the carbonation process on the permeability was taken into account. For the wetting brine and non-wetting supercritical CO2 flows, they were treated as the immiscible fluids and were driven by pressure gradients in sandstone rocks. Relative permeabilities of brine and supercritical CO2 in sandstone rocks were estimated. Particularly the dynamic saturation was applied to improve the reliability of the calculations of the relative permeabilities. Moreover, the effects of the viscosity ratio of the two immiscible fluids and the resolution of digital images on the relative permeability were systematically investigated.

Inclusion of Topological Measurements into Analytic Estimates of Effective Permeability in Fractured Media

NASA Astrophysics Data System (ADS)

Sævik, P. N.; Nixon, C. W.

2017-11-01

We demonstrate how topology-based measures of connectivity can be used to improve analytical estimates of effective permeability in 2-D fracture networks, which is one of the key parameters necessary for fluid flow simulations at the reservoir scale. Existing methods in this field usually compute fracture connectivity using the average fracture length. This approach is valid for ideally shaped, randomly distributed fractures, but is not immediately applicable to natural fracture networks. In particular, natural networks tend to be more connected than randomly positioned fractures of comparable lengths, since natural fractures often terminate in each other. The proposed topological connectivity measure is based on the number of intersections and fracture terminations per sampling area, which for statistically stationary networks can be obtained directly from limited outcrop exposures. To evaluate the method, numerical permeability upscaling was performed on a large number of synthetic and natural fracture networks, with varying topology and geometry. The proposed method was seen to provide much more reliable permeability estimates than the length-based approach, across a wide range of fracture patterns. We summarize our results in a single, explicit formula for the effective permeability.

Investigating the effects of rock porosity and permeability on the performance of nitrogen injection into a southern Iranian oil reservoirs through neural network

NASA Astrophysics Data System (ADS)

Gheshmi, M. S.; Fatahiyan, S. M.; Khanesary, N. T.; Sia, C. W.; Momeni, M. S.

2018-03-01

In this work, a comprehensive model for Nitrogen injection into an oil reservoir (southern Iranian oil fields) was developed and used to investigate the effects of rock porosity and permeability on the oil production rate and the reservoir pressure decline. The model was simulated and developed by using ECLIPSE300 software, which involved two scenarios as porosity change and permeability changes in the horizontal direction. We found that the maximum pressure loss occurs at a porosity value of 0.07, which later on, goes to pressure buildup due to reservoir saturation with the gas. Also we found that minimum pressure loss is encountered at porosity 0.46. Increases in both pressure and permeability in the horizontal direction result in corresponding increase in the production rate, and the pressure drop speeds up at the beginning of production as it increases. However, afterwards, this pressure drop results in an increase in pressure because of reservoir saturation. Besides, we determined the regression values, R, for the correlation between pressure and total production, as well as for the correlation between permeability and the total production, using neural network discipline.

Simulation of regional ground-water flow in the Cambrian-Ordovician aquifer system in the northern Midwest, United States: in Regional aquifer-system analysis

USGS Publications Warehouse

Mandle, R.J.; Kontis, A.L.

1992-01-01

Results of variable-density simulations indicate that the rate of ground-water movement is small in areas where ground water is highly mineralized. The rates and directions are controlled by the intrinsic permeability of the rock, freshwater head gradients, and gravitational force.

Apollo oxygen tank stratification analysis, volume 2

NASA Technical Reports Server (NTRS)

Barton, J. E.; Patterson, H. W.

1972-01-01

An analysis of flight performance of the Apollo 15 cryogenic oxygen tanks was conducted with the variable grid stratification math model developed earlier in the program. Flight conditions investigated were the CMP-EVA and one passive thermal control period which exhibited heater temperature characteristics not previously observed. Heater temperatures for these periods were simulated with the math model using flight acceleration data. Simulation results (heater temperature and tank pressure) compared favorably with the Apollo 15 flight data, and it was concluded that tank performance was nominal. Math model modifications were also made to improve the simulation accuracy. The modifications included the addition of the effects of the tank wall thermal mass and an improved system flow distribution model. The modifications improved the accuracy of simulated pressure response based on comparisons with flight data.

Atomistic simulations indicate the c-subunit ring of the F1Fo ATP synthase is not the mitochondrial permeability transition pore

PubMed Central

Zhou, Wenchang; Marinelli, Fabrizio; Nief, Corrine; Faraldo-Gómez, José D

2017-01-01

Pathological metabolic conditions such as ischemia induce the rupture of the mitochondrial envelope and the release of pro-apoptotic proteins, leading to cell death. At the onset of this process, the inner mitochondrial membrane becomes depolarized and permeable to osmolytes, proposedly due to the opening of a non-selective protein channel of unknown molecular identity. A recent study purports that this channel, referred to as Mitochondrial Permeability Transition Pore (MPTP), is formed within the c-subunit ring of the ATP synthase, upon its dissociation from the catalytic domain of the enzyme. Here, we examine this claim for two c-rings of different lumen width, through calculations of their ion conductance and selectivity based on all-atom molecular dynamics simulations. We also quantify the likelihood that the lumen of these c-rings is in a hydrated, potentially conducting state rather than empty or blocked by lipid molecules. These calculations demonstrate that the structure and biophysical properties of a correctly assembled c-ring are inconsistent with those attributed to the MPTP. DOI: http://dx.doi.org/10.7554/eLife.23781.001 PMID:28186490

Passive Membrane Permeability: Beyond the Standard Solubility-Diffusion Model.

PubMed

Parisio, Giulia; Stocchero, Matteo; Ferrarini, Alberta

2013-12-10

The spontaneous diffusion of solutes through lipid bilayers is still a challenge for theoretical predictions. Since permeation processes remain beyond the capabilities of unbiased molecular dynamics simulations, an alternative strategy is currently adopted to gain insight into their mechanism and time scale. This is based on a monodimensional description of the translocation process only in terms of the position of the solute along the normal to the lipid bilayer, which is formally expressed in the solubility-diffusion model. Actually, a role of orientational and conformational motions has been pointed out, and the use of advanced simulation techniques has been proposed to take into account their effect. Here, we discuss the limitations of the standard solubility-diffusion approach and propose a more general description of membrane translocation as a diffusion process on a free energy surface, which is a function of the translational and rotational degrees of freedom of the molecule. Simple expressions for the permeability coefficient are obtained under suitable conditions. For fast solute reorientation, the classical solubility-diffusion equation is recovered. Under the assumption that well-defined minima can be identified on the free energy landscape, a mechanistic interpretation of the permeability coefficient in terms of all possible permeation paths is given.

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

Effect of structural modification of α-aminoxy peptides on their intestinal absorption and transport mechanism.

PubMed

Ma, Bin; Zha, Huiyan; Li, Na; Yang, Dan; Lin, Ge

2011-08-01

A representative α-aminoxy peptide 1 has been demonstrated to have a potential for the treatment of human diseases associated with Cl(-) channel dysfunctions. However, its poor intestinal absorption was determined. The purpose of this study was to delineate the transport mechanism responsible for its poor absorption and also to prepare peptide analogues by structural modifications of 1 at its isobutyl side chains without changing the α-aminoxy core for retaining biological activity to improve the intestinal absorption. The poor intestinal absorption of 1 was proved to be due to the P-glycoprotein (P-gp) mediated efflux transport in Caco-2 cell monolayer, intestinal segments in Ussing chamber and rat single pass intestinal perfusion models. Four analogues with propionic acid (2), butanamine (3), methyl (4) and hydroxymethyl side chains (5) were synthesized and tested using the same models. Except for the permeability of 2, the absorbable permeability of the modified peptides in Caco-2 cell monolayer and their intestinal absorption in rats were significantly improved to 7-fold (3), 4-fold (4), 11-fold (5) and 36-fold (2), 42-fold (3), 55-fold (4), 102-fold (5), respectively, compared with 1 (P(app), 0.034 ± 0.003 × 10(-6) cm/s; P(blood), 1.61 ± 0.807 × 10(-6) cm/s). More interestingly, the structural modification remarkably altered transport mechanism of the peptides, leading to the conversion of the active transport via P-gp mediation (1, 2), to MRP mediation (3), MRP plus BCRP mediation (4) or a passive diffusion (5). Furthermore, P-gp mediated efflux transport of 1 and 2 was demonstrated to not alter the P-gp expression, while 1 but not 2 exhibited uncompetitive inhibitory effect on P-gp ATPase. The results demonstrated that intestinal absorption and transport mechanism of the α-aminoxy peptides varied significantly with different structures, and their absorption can be dramatically improved by structural modifications, which allow us to further design and prepare better α-aminoxy peptide candidates with appropriate pharmacokinetic fates, including intestinal absorption, for potential clinical use.

Effect of electron beam irradiation on bacterial cellulose membranes used as transdermal drug delivery systems

NASA Astrophysics Data System (ADS)

Stoica-Guzun, Anicuta; Stroescu, Marta; Tache, Florin; Zaharescu, Traian; Grosu, Elena

2007-12-01

Ionizing radiation is an effective energetic source for polymer surfaces modification in order to obtain transdermal systems with different controlled release properties. In this work, gamma rays have been applied to induce changes in bacterial cellulose membranes. Permeation of drug (tetracycline) was theoretically and experimentally investigated starting from the effect of γ-irradiation on membranes permeability. Release and permeation of drug from irradiated and non-irradiated membranes have been performed using a diffusion cell.

Impact of Clay DNAPL Interactions on Transport and Storage of Chlorinated Solvents in Low Permeability Zones

DTIC Science & Technology

2015-02-01

producing cracking, in a time frame on the order of weeks. The hypothesized mechanism is syneresis, involving the sorption of the surfactants from...49 4.0 Determination of Mechanism of Clay Structure Modification 53 ii 4.1 Introduction 53 4.2 Materials and Methods 52 4.2.1. Screening...Spectroscopy (FTIR) Measurements 65 4.3.4. Sorption Experiments 68 4.4 Proposed Mechanism for Basal Spacing Decrease 70 4.5 Conclusions 72 5.0

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

Complementary analyses of hollow cylindrical unioriented permanent magnet (HCM) with high permeability external layer.

PubMed

Lobo, Carlos M S; Tosin, Giancarlo; Baader, Johann E; Colnago, Luiz A

2017-10-01

In this article, several studies based on analytical expressions and computational simulations on Hollow Cylindrical Magnets with an external soft ferromagnetic material (HCM magnets) are presented. Electromagnetic configurations, as well as permanent-magnet-based structures, are studied in terms of magnetic field strength and homogeneity. Permanent-magnet-based structures are further analyzed in terms of the anisotropy of the magnetic permeability. It was found that the HCM magnets produce a highly homogeneous magnetic field as long as the magnetic material is isotropic. The dependency of the magnetic field strength and homogeneity in terms of the anisotropy of the magnetic permeability is also explored here. These magnets can potentially be used in medium-resolution NMR spectrometers and high-field NMR spectrometers. Copyright © 2017 Elsevier Inc. All rights reserved.

The "high solubility" definition of the current FDA Guidance on Biopharmaceutical Classification System may be too strict for acidic drugs.

PubMed

Yazdanian, Mehran; Briggs, Katherine; Jankovsky, Corinne; Hawi, Amale

2004-02-01

The purpose of this study was to assess if the definition of high solubility as proposed in the FDA Guidance on Biopharmaceutical Classification System (BCS) is too strict for highly permeable acidic drugs. The solubility and permeability values of 20 (18 acidic and 2 non-acidic) nonsteroidal anti-inflammatory drugs (NSAID) were determined. The NSAIDs were grouped into three different sets having acetic acid, propionic acid, or other acidic moieties such as fenamate, oxicam, and salicylate. Two nonacidic NSAIDs (celecoxib and rofecoxib) were also included for comparison purposes. Equilibrium solubility values were determined at pH 1.2, 5.0, 7.4, and in biorelevant media simulating fed intestinal fluid at pH 5.0. For a select number of acids, we also measured solubility values in media simulating gastric and fasted intestinal fluids. Permeability classification was established relative to that of reference drugs in the Caco-2 cell permeability model. Permeability coefficients for all drugs were measured at concentrations corresponding to the lowest and highest marketed dose strengths dissolved in 250 ml volume, and their potential interaction with cellular efflux pumps was investigated. All NSAIDs with different acidic functional groups were classified as highly permeable based on their Caco-2 cell permeability. Only ketorolac appeared to have a potential for interaction with cellular efflux pumps. Solubility classification was based on comparison of equilibrium solubility at pH 1.2, 5.0. and 7.4 relative to marketed dose strengths in 250 ml. The pKa values for the acidic NSAIDs studied were between 3.5 and 5.1. and, as expected, their solubility increased dramatically at pH 7.4 compared to pH 1.2. Only three NSAIDs, ketorolac, ketoprofen. and acetyl salicylic acid, meet the current criteria for high solubility over the entire pH range. However, with the exception of ibuprofen, oxaprozin, and mefenamic acid, the remaining compounds can be classified as Class I drugs (high solubility-high permeability) relative to solubility at pH 7.4. The use of bio-relevant media simulating gastric and intestinal milieu for solubility measurements or increasing the dose volume to 500 ml did not provide for a better boundary for solubility classification. Based on the current definition of solubility, 15 of the 18 acidic NSAIDs in this study will be classified as Class II compounds as the solubility criteria applies to the entire pH range of 1.2 to 7.4, although the low solubility criteria does not hold true over the entire pH range. Whence, of the 18 acidic drugs, 15 can be classified as Class I based on the pH 7.4 solubility alone. This finding is intriguing because these drugs exhibit Class I behavior as their absorption does not seem to be dissolution or solubility limited. It could then be argued that for acidic drugs, the boundaries for solubility are too restrictive. Solubility at pH > 5 (pH in duodenum) may be more appropriate because most compounds are mainly absorbed in the intestinal region. Consideration for an intermediate solubility classification for highly permeable ionizable compounds that reflects physiological conditions seems warranted.

Numerical simulation based on core analysis of a single fracture in an Enhanced Geothermal System

NASA Astrophysics Data System (ADS)

Jarrahi, Miad; Holländer, Hartmut

2017-04-01

The permeability of reservoirs is widely affected by the presence of fractures dispersed within them, as they form superior paths for fluid flow. Core analysis studies the fractures characteristics and explains the fluid-rock interactions to provide the information of permeability and saturation of a hydraulic fracturing reservoir or an enhanced geothermal system (EGS). This study conducted numerical simulations of a single fracture in a Granite core obtained from a depth of 1890 m in borehole EPS1 from Soultz-sous-Forêts, France. Blaisonneau et al. (2016) designed the apparatus to investigate the complex physical phenomena on this cylindrical sample. The method of the tests was to percolate a fluid through a natural fracture contained in a rock sample, under controlled thermo-hydro-mechanical conditions. A divergent radial flow within the fracture occurred due to the injection of fluid into the center of the fracture. The tests were performed within a containment cell with a normal stress of 2.6, 4.9, 7.2 and 9.4 MPa loading on the sample perpendicular to the fracture plane. This experiment was numerically performed to provide an efficient numerical method by modeling single phase flow in between the fracture walls. Detailed morphological features of the fracture such as tortuosity and roughness, were obtained by image processing. The results included injection pressure plots with respect to injection flow rate. Consequently, by utilizing Hagen-Poiseuille's cubic law, the equivalent hydraulic aperture size, of the fracture was derived. Then, as the sample is cylindrical, to modify the Hagen-Poiseuille's cubic law for circular parallel plates, the geometric relation was applied to obtain modified hydraulic aperture size. Finally, intrinsic permeability of the fracture under each mechanical normal stress was evaluated based on modified hydraulic aperture size. The results were presented in two different scenarios, before and after reactive percolation test, to demonstrate the effect of chemical reactive flow. The fracture after percolation test showed larger equivalent aperture size and higher permeability. Additionally, the higher the normal stress, the lower permeability was investigated. This confirmed the permeability evolution due to chemical percolation and mechanical loading. All results showed good agreements with corresponding experimental results provided by Blaisonneau et al. (2016). Keyword: Core analysis, Hydraulic fracturing, Enhanced geothermal system, Permeability, Fluid-rock interactions.

Development and calibration of a reactive transport model for carbonate reservoir porosity and permeability changes based on CO 2 core-flood experiments

DOE PAGES

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

2017-01-02

Here, beneficial pore space and permeability enhancements are likely to occur as CO 2-charged fluids partially dissolve carbonate minerals in carbonate reservoir formations used for geologic CO 2 storage. The ability to forecast the extent and impact of changes in porosity and permeability will aid geologic CO 2 storage operations and lower uncertainty in estimates of long-term storage capacity. Our work is directed toward developing calibrated reactive transport models that more accurately capture the chemical impacts of CO 2-fluid-rock interactions and their effects on porosity and permeability by matching pressure, fluid chemistry, and dissolution features that developed as a resultmore » of reaction with CO 2-acidified brines at representative reservoir conditions. We present new results from experiments conducted on seven core samples from the Arbuckle Dolostone (near Wellington, Kansas, USA, recovered as part of the South-Central Kansas CO 2 Demonstration). Cores were obtained from both target reservoir and lower-permeability baffle zones, and together these samples span over 3–4 orders of magnitude of permeability according to downhole measurements. Core samples were nondestructively imaged by X-ray computed tomography and the resulting characterization data were mapped onto a continuum domain to further develop a reactive transport model for a range of mineral and physical heterogeneity. We combine these new results with those from previous experimental studies to more fully constrain the governing equations used in reactive transport models to better estimate the transition of enhanced oil recovery operations to long-term geology CO 2 storage. Calcite and dolomite kinetic rate constants (mol m –2 s –1) derived by fitting the results from core-flood experiments range from k calcite,25C = 10 –6.8 to 10 –4.6, and k dolomite,25C = 10 –7.5 to 10 –5.3. The power law-based porosity-permeability relationship is sensitive to the overall pore space heterogeneity of each core. Stable dissolution fronts observed in the more homogeneous dolostones could be accurately simulated using an exponential value of n = 3. Furthermore, unstable dissolution fronts consisting of preferential flowpaths could be simulated using an exponential value of n = 3 for heterogeneous dolostones, and larger values ( n = 6–8) for heterogeneous limestones.« less

Development and calibration of a reactive transport model for carbonate reservoir porosity and permeability changes based on CO 2 core-flood experiments

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

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

Here, beneficial pore space and permeability enhancements are likely to occur as CO 2-charged fluids partially dissolve carbonate minerals in carbonate reservoir formations used for geologic CO 2 storage. The ability to forecast the extent and impact of changes in porosity and permeability will aid geologic CO 2 storage operations and lower uncertainty in estimates of long-term storage capacity. Our work is directed toward developing calibrated reactive transport models that more accurately capture the chemical impacts of CO 2-fluid-rock interactions and their effects on porosity and permeability by matching pressure, fluid chemistry, and dissolution features that developed as a resultmore » of reaction with CO 2-acidified brines at representative reservoir conditions. We present new results from experiments conducted on seven core samples from the Arbuckle Dolostone (near Wellington, Kansas, USA, recovered as part of the South-Central Kansas CO 2 Demonstration). Cores were obtained from both target reservoir and lower-permeability baffle zones, and together these samples span over 3–4 orders of magnitude of permeability according to downhole measurements. Core samples were nondestructively imaged by X-ray computed tomography and the resulting characterization data were mapped onto a continuum domain to further develop a reactive transport model for a range of mineral and physical heterogeneity. We combine these new results with those from previous experimental studies to more fully constrain the governing equations used in reactive transport models to better estimate the transition of enhanced oil recovery operations to long-term geology CO 2 storage. Calcite and dolomite kinetic rate constants (mol m –2 s –1) derived by fitting the results from core-flood experiments range from k calcite,25C = 10 –6.8 to 10 –4.6, and k dolomite,25C = 10 –7.5 to 10 –5.3. The power law-based porosity-permeability relationship is sensitive to the overall pore space heterogeneity of each core. Stable dissolution fronts observed in the more homogeneous dolostones could be accurately simulated using an exponential value of n = 3. Furthermore, unstable dissolution fronts consisting of preferential flowpaths could be simulated using an exponential value of n = 3 for heterogeneous dolostones, and larger values ( n = 6–8) for heterogeneous limestones.« less

Durable Suit Bladder with Improved Water Permeability for Pressure and Environment Suits

NASA Technical Reports Server (NTRS)

Bue, Grant C.; Kuznetz, Larry; Orndoff, Evelyne; Tang, Henry; Aitchison, Lindsay; Ross, Amy

2009-01-01

Water vapor permeability is shown to be useful in rejecting heat and managing moisture accumulation in launch-and-entry pressure suits. Currently this is accomplished through a porous Gortex layer in the Advanced Crew and Escape Suit (ACES) and in the baseline design of the Constellation Suit System Element (CSSE) Suit 1. Non-porous dense monolithic membranes (DMM) that are available offer potential improvements for water vapor permeability with reduced gas leak. Accordingly, three different pressure bladder materials were investigated for water vapor permeability and oxygen leak: ElasthaneTM 80A (thermoplastic polyether urethane) provided from stock polymer material and two custom thermoplastic polyether urethanes. Water vapor, carbon dioxide and oxygen permeability of the DMM's was measured in a 0.13 mm thick stand-alone layer, a 0.08 mm and 0.05 mm thick layer each bonded to two different nylon and polyester woven reinforcing materials. Additional water vapor permeability and mechanical compression measurements were made with the reinforced 0.05 mm thick layers, further bonded with a polyester wicking and overlaid with moistened polyester fleece thermal underwear .This simulated the pressure from a supine crew person. The 0.05 mm thick nylon reinforced sample with polyester wicking layer was further mechanically tested for wear and abrasion. Concepts for incorporating these materials in launch/entry and Extravehicular Activity pressure suits are presented.

Regional long-term production modeling from a single well test, Mount Elbert Gas Hydrate Stratigraphic Test Well, Alaska North Slope

USGS Publications Warehouse

Anderson, B.J.; Kurihara, M.; White, M.D.; Moridis, G.J.; Wilson, S.J.; Pooladi-Darvish, M.; Gaddipati, M.; Masuda, Y.; Collett, T.S.; Hunter, R.B.; Narita, H.; Rose, K.; Boswell, R.

2011-01-01

Following the results from the open-hole formation pressure response test in the BPXA-DOE-USGS Mount Elbert Gas Hydrate Stratigraphic Test Well (Mount Elbert well) using Schlumberger's Modular Dynamics Formation Tester (MDT) wireline tool, the International Methane Hydrate Reservoir Simulator Code Comparison project performed long-term reservoir simulations on three different model reservoirs. These descriptions were based on 1) the Mount Elbert gas hydrate accumulation as delineated by an extensive history-matching exercise, 2) an estimation of the hydrate accumulation near the Prudhoe Bay L-pad, and 3) a reservoir that would be down-dip of the Prudhoe Bay L-pad and therefore warmer and deeper. All of these simulations were based, in part, on the results of the MDT results from the Mount Elbert Well. The comparison group's consensus value for the initial permeability of the hydrate-filled reservoir (k = 0.12 mD) and the permeability model based on the MDT history match were used as the basis for subsequent simulations on the three regional scenarios. The simulation results of the five different simulation codes, CMG STARS, HydrateResSim, MH-21 HYDRES, STOMP-HYD, and TOUGH+HYDRATE exhibit good qualitative agreement and the variability of potential methane production rates from gas hydrate reservoirs is illustrated. As expected, the predicted methane production rate increased with increasing in situ reservoir temperature; however, a significant delay in the onset of rapid hydrate dissociation is observed for a cold, homogeneous reservoir and it is found to be repeatable. The inclusion of reservoir heterogeneity in the description of this cold reservoir is shown to eliminate this delayed production. Overall, simulations utilized detailed information collected across the Mount Elbert reservoir either obtained or determined from geophysical well logs, including thickness (37 ft), porosity (35%), hydrate saturation (65%), intrinsic permeability (1000 mD), pore water salinity (5 ppt), and formation temperature (3.3-3.9 ??C). This paper presents the approach and results of extrapolating regional forward production modeling from history-matching efforts on the results from a single well test. ?? 2010 Elsevier Ltd.

Regional long-term production modeling from a single well test, Mount Elbert Gas Hydrate Stratigraphic Test Well, Alaska North Slope

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

Anderson, Brian J.; Kurihara, Masanori; White, Mark D.

2011-02-01

Following the results from the open-hole formation pressure response test in the BPXA-DOE-USGS Mount Elbert Gas Hydrate Stratigraphic Test Well (Mount Elbert well) using Schlumberger's Modular Dynamics Formation Tester (MDT) wireline tool, the International Methane Hydrate Reservoir Simulator Code Comparison project performed long-term reservoir simulations on three different model reservoirs. These descriptions were based on 1) the Mount Elbert gas hydrate accumulation as delineated by an extensive history-matching exercise, 2) an estimation of the hydrate accumulation near the Prudhoe Bay L-pad, and 3) a reservoir that would be down-dip of the Prudhoe Bay L-pad and therefore warmer and deeper. Allmore » of these simulations were based, in part, on the results of the MDT results from the Mount Elbert Well. The comparison group's consensus value for the initial permeability of the hydrate-filled reservoir (k = 0.12 mD) and the permeability model based on the MDT history match were used as the basis for subsequent simulations on the three regional scenarios. The simulation results of the five different simulation codes, CMG STARS, HydrateResSim, MH-21 HYDRES, STOMP-HYD, and TOUGH+HYDRATE exhibit good qualitative agreement and the variability of potential methane production rates from gas hydrate reservoirs is illustrated. As expected, the predicted methane production rate increased with increasing in situ reservoir temperature; however, a significant delay in the onset of rapid hydrate dissociation is observed for a cold, homogeneous reservoir and it is found to be repeatable. The inclusion of reservoir heterogeneity in the description of this cold reservoir is shown to eliminate this delayed production. Overall, simulations utilized detailed information collected across the Mount Elbert reservoir either obtained or determined from geophysical well logs, including thickness (37 ft), porosity (35%), hydrate saturation (65%), intrinsic permeability (1000 mD), pore water salinity (5 ppt), and formation temperature (3.3–3.9 °C). Finally, this paper presents the approach and results of extrapolating regional forward production modeling from history-matching efforts on the results from a single well test.« less

Quadratic genetic modifications: a streamlined route to cosmological simulations with controlled merger history

NASA Astrophysics Data System (ADS)

Rey, Martin P.; Pontzen, Andrew

2018-02-01

Recent work has studied the interplay between a galaxy's history and its observable properties using `genetically modified' cosmological zoom simulations. The approach systematically generates alternative histories for a halo, while keeping its cosmological environment fixed. Applications to date altered linear properties of the initial conditions, such as the mean overdensity of specified regions; we extend the formulation to include quadratic features, such as local variance, that determines the overall importance of smooth accretion relative to mergers in a galaxy's history. We introduce an efficient algorithm for this new class of modification and demonstrate its ability to control the variance of a region in a one-dimensional toy model. Outcomes of this work are twofold: (i) a clarification of the formulation of genetic modifications and (ii) a proof of concept for quadratic modifications leading the way to a forthcoming implementation in cosmological simulations.

Optimal experimental design for placement of boreholes

NASA Astrophysics Data System (ADS)

Padalkina, Kateryna; Bücker, H. Martin; Seidler, Ralf; Rath, Volker; Marquart, Gabriele; Niederau, Jan; Herty, Michael

2014-05-01

Drilling for deep resources is an expensive endeavor. Among the many problems finding the optimal drilling location for boreholes is one of the challenging questions. We contribute to this discussion by using a simulation based assessment of possible future borehole locations. We study the problem of finding a new borehole location in a given geothermal reservoir in terms of a numerical optimization problem. In a geothermal reservoir the temporal and spatial distribution of temperature and hydraulic pressure may be simulated using the coupled differential equations for heat transport and mass and momentum conservation for Darcy flow. Within this model the permeability and thermal conductivity are dependent on the geological layers present in the subsurface model of the reservoir. In general, those values involve some uncertainty making it difficult to predict actual heat source in the ground. Within optimal experimental the question is which location and to which depth to drill the borehole in order to estimate conductivity and permeability with minimal uncertainty. We introduce a measure for computing the uncertainty based on simulations of the coupled differential equations. The measure is based on the Fisher information matrix of temperature data obtained through the simulations. We assume that the temperature data is available within the full borehole. A minimization of the measure representing the uncertainty in the unknown permeability and conductivity parameters is performed to determine the optimal borehole location. We present the theoretical framework as well as numerical results for several 2d subsurface models including up to six geological layers. Also, the effect of unknown layers on the introduced measure is studied. Finally, to obtain a more realistic estimate of optimal borehole locations, we couple the optimization to a cost model for deep drilling problems.

Multiple technologies applied to characterization of the porosity and permeability of the Biscayne aquifer, Florida

USGS Publications Warehouse

Cunningham, K.J.; Sukop, M.C.

2011-01-01

Research is needed to determine how seepage-control actions planned by the Comprehensive Everglades Restoration Plan (CERP) will affect recharge, groundwater flow, and discharge within the dual-porosity karstic Biscayne aquifer where it extends eastward from the Everglades to Biscayne Bay. A key issue is whether the plan can be accomplished without causing urban flooding in adjacent populated areas and diminishing coastal freshwater flow needed in the restoration of the ecologic systems. Predictive simulation of groundwater flow is a prudent approach to understanding hydrologic change and potential ecologic impacts. A fundamental problem to simulation of karst groundwater flow is how best to represent aquifer heterogeneity. Currently, U.S. Geological Survey (USGS) researchers and academic partners are applying multiple innovative technologies to characterize the spatial distribution of porosity and permeability within the Biscayne aquifer.

Numerical simulations of porous medium with different permeabilities and positions in a laterally-heated cylindrical enclosure for crystal growth

NASA Astrophysics Data System (ADS)

Enayati, Hooman; Braun, Minel J.; Chandy, Abhilash J.

2018-02-01

This paper presents an investigation of flow and heat transfer in a large diameter (6.25 in) cylindrical enclosure heated laterally and containing a porous block that simulates the basket of nutrients used in a crystal growth reactor. The numerical model entails the use of a commercially available computational engine provided by ANSYS FLUENT, and based on a two-dimensional (2D) axisymmetric Reynolds-averaged Navier Stokes (RANS) equations. The porous medium is simulated using the Brinkman-extended model accounting for the Darcy and Forchheimer induced pressure drops. The porous 'plug' effects are analyzed as both its permeability/inertial resistance and locations in the reactor are changed on a parametric basis, while the Rayleigh number (Ra = gβΔTL3/να) is kept constant at 1.98 × 109. Additionally, the effect of different ratios of the hot to the cold zone lengths are investigated as a part of the current effort. For all cases, the velocity and temperature distributions in the reactor are analyzed together with the flow patterns in, and around the porous block. A comprehensive discussion is provided with regard to the effects of the position of the porous block and its permeability on both the immediately adjacent, and far flows. The consequences on the temperature distribution in the enclosure, when the ratio of the length of the hot-to-cold zones is changed, are also analyzed.

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.

Conditioning geostatistical simulations of a heterogeneous paleo-fluvial bedrock aquifer using lithologs and pumping tests

NASA Astrophysics Data System (ADS)

Niazi, A.; Bentley, L. R.; Hayashi, M.

2016-12-01

Geostatistical simulations are used to construct heterogeneous aquifer models. Optimally, such simulations should be conditioned with both lithologic and hydraulic data. We introduce an approach to condition lithologic geostatistical simulations of a paleo-fluvial bedrock aquifer consisting of relatively high permeable sandstone channels embedded in relatively low permeable mudstone using hydraulic data. The hydraulic data consist of two-hour single well pumping tests extracted from the public water well database for a 250-km2 watershed in Alberta, Canada. First, lithologic models of the entire watershed are simulated and conditioned with hard lithological data using transition probability - Markov chain geostatistics (TPROGS). Then, a segment of the simulation around a pumping well is used to populate a flow model (FEFLOW) with either sand or mudstone. The values of the hydraulic conductivity and specific storage of sand and mudstone are then adjusted to minimize the difference between simulated and actual pumping test data using the parameter estimation program PEST. If the simulated pumping test data do not adequately match the measured data, the lithologic model is updated by locally deforming the lithology distribution using the probability perturbation method and the model parameters are again updated with PEST. This procedure is repeated until the simulated and measured data agree within a pre-determined tolerance. The procedure is repeated for each well that has pumping test data. The method creates a local groundwater model that honors both the lithologic model and pumping test data and provides estimates of hydraulic conductivity and specific storage. Eventually, the simulations will be integrated into a watershed-scale groundwater model.

A mixed boundary representation to simulate the displacement of a biofluid by a biomaterial in porous media.

PubMed

Widmer, René P; Ferguson, Stephen J

2011-05-01

Characterization of the biomaterial flow through porous bone is crucial for the success of the bone augmentation process in vertebroplasty. The biofluid, biomaterial, and local morphological bone characteristics determine the final shape of the filling, which is important both for the post-treatment mechanical loading and the risk of intraoperative extraosseous leakage. We have developed a computational model that describes the flow of biomaterials in porous bone structures by considering the material porosity, the region-dependent intrinsic permeability of the porous structure, the rheological properties of the biomaterial, and the boundary conditions of the filling process. To simulate the process of the substitution of a biofluid (bone marrow) by a biomaterial (bone cement), we developed a hybrid formulation to describe the evolution of the fluid boundary and properties and coupled it to a modified version of Darcy's law. The apparent rheological properties are derived from a fluid-fluid interface tracking algorithm and a mixed boundary representation. The region- specific intrinsic permeability of the bone is governed by an empirical relationship resulting from a fitting process of experimental data. In a first step, we verified the model by studying the displacement process in spherical domains, where the spreading pattern is known in advance. The mixed boundary model demonstrated, as expected, that the determinants of the spreading pattern are the local intrinsic permeability of the porous matrix and the ratio of the viscosity of the fluids that are contributing to the displacement process. The simulations also illustrate the sensitivity of the mixed boundary representation to anisotropic permeability, which is related to the directional dependent microstructural properties of the porous medium. Furthermore, we compared the nonlinear finite element model to different published experimental studies and found a moderate to good agreement (R(2)=0.9895 for a one-dimensional bone core infiltration test and a 10.94-16.92% relative error for a three-dimensional spreading pattern study, respectively) between computational and experimental results.

Partial hydrophilic modification of biaxially oriented polypropylene film by an atmospheric pressure plasma jet with the allylamine monomer

NASA Astrophysics Data System (ADS)

Chen, W. X.; Yu, J. S.; Hu, W.; Chen, G. L.

2016-11-01

In this paper, the partial modification of the biaxially oriented polypropylene (BOPP) film for potential biological and packaging applications was achieved via hydrophilic modification using atmospheric pressure plasma jet (APPJ). In the APPJ system, the allylamine (ALA) monomer was polymerized on the BOPP surface by either the Ar/O2 or the He/O2 plasma. The results showed that plasmatic modification created many micro/nano sized holes on the BOPP film, which increased the surface roughness dramatically and the increased roughness enhanced the combining intensity between the BOPP film and the ALA polymer. However, such a plasmatic modification increased the water vapor permeability. The FTIR and XPS characterizations showed that the amine groups were grafted onto the BOPP film, and the contact angle of the BOPP film decreases from 98.5° to 8°. Compared with the BOPP films treated by the Ar or He plasma, the barrier property of the modified BOPP film increased significantly when the ALA polymer was incorporated. The bio-affinity/toxicity of ALA polymer was illustrated by the attachment of the cultured SMMC-7721 hepatoma cells on the modified BOPP film. The significant enhancement in the cell density indicated that modified BOPP film was highly bio-compatible and non-toxic, especially treated with the Ar/O2/ALA plasma.

Intestinal permeability in a patient with liver cirrhosis

PubMed Central

Aguirre Valadez, Jonathan Manuel; Rivera-Espinosa, Liliana; Méndez-Guerrero, Osvely; Chávez-Pacheco, Juan Luis; García Juárez, Ignacio; Torre, Aldo

2016-01-01

Liver cirrhosis is a worldwide public health problem, and patients with this disease are at high risk of developing complications, bacterial translocation from the intestinal lumen to the mesenteric nodes, and systemic circulation, resulting in the development of severe complications related to high mortality rate. The intestinal barrier is a structure with a physical and biochemical activity to maintain balance between the external environment, including bacteria and their products, and the internal environment. Patients with liver cirrhosis develop a series of alterations in different components of the intestinal barrier directly associated with the severity of liver disease that finally increased intestinal permeability. A “leaky gut” is an effect produced by damaged intestinal barrier; alterations in the function of tight junction proteins are related to bacterial translocation and their products. Instead, increasing serum proinflammatory cytokines and hemodynamics modification, which results in the appearance of complications of liver cirrhosis such as hepatic encephalopathy, variceal hemorrhage, bacterial spontaneous peritonitis, and hepatorenal syndrome. The intestinal microbiota plays a fundamental role in maintaining the proper function of the intestinal barrier; bacterial overgrowth and dysbiosis are two phenomena often present in people with liver cirrhosis favoring bacterial translocation. Increased intestinal permeability has an important role in the genesis of these complications, and treating it could be the base for prevention and partial treatment of these complications. PMID:27920543

Synthesis and Transport Properties of Novel MOF/PIM-1/MOF Sandwich Membranes for Gas Separation

PubMed Central

Fuoco, Alessio; Khdhayyer, Muhanned R.; Attfield, Martin P.; Esposito, Elisa; Jansen, Johannes C.; Budd, Peter M.

2017-01-01

Metal-organic frameworks (MOFs) were supported on polymer membrane substrates for the fabrication of composite polymer membranes based on unmodified and modified polymer of intrinsic microporosity (PIM-1). Layers of two different MOFs, zeolitic imidazolate framework-8 (ZIF-8) and Copper benzene tricarboxylate ((HKUST-1), were grown onto neat PIM-1, amide surface-modified PIM-1 and hexamethylenediamine (HMDA) -modified PIM-1. The surface-grown crystalline MOFs were characterized by a combination of several techniques, including powder X-ray diffraction, infrared spectroscopy and scanning electron microscopy to investigate the film morphology on the neat and modified PIM-1 membranes. The pure gas permeabilities of He, H2, O2, N2, CH4, CO2 were studied to understand the effect of the surface modification on the basic transport properties and evaluate the potential use of these membranes for industrially relevant gas separations. The pure gas transport was discussed in terms of permeability and selectivity, highlighting the effect of the MOF growth on the diffusion coefficients of the gas in the new composite polymer membranes. The results confirm that the growth of MOFs on polymer membranes can enhance the selectivity of the appropriately functionalized PIM-1, without a dramatic decrease of the permeability. PMID:28208658

Microscopic mechanism of amino silicone oil modification and modification effect with different amino group contents based on molecular dynamics simulation

NASA Astrophysics Data System (ADS)

He, Liping; Li, Wenjun; Chen, Dachuan; Yuan, Jianmin; Lu, Gang; Zhou, Dianwu

2018-05-01

The microscopic mechanism of amino silicone oil (ASO) modification of natural fiber was investigated for the first time using molecular dynamics (MD) simulation at the atomic and molecular levels. The MD simulation results indicated that the ASO molecular interacted with the cellulose molecular within the natural fiber, mainly by intermolecular forces of Nsbnd Hsbnd O and Osbnd Hsbnd N hydrogen bonds and the molecular chain of ASO absorbed onto the natural fiber in a selective orientation, i.e., the hydrophobic alkyl groups (sbnd CnH2n+1) project outward and the polar amino groups (sbnd NH2) point to the surface of natural fiber. Consequently, the ASO modification changed the surface characteristic of natural fiber from hydrophilic to hydrophobic. Furthermore, the modification effects of the ASO modification layer with different amino group contents (m:n ratio) were also evaluated in this study by calculating the binding energy between the ASO modifier and natural fiber, and the cohesive energy density and free volume of the ASO modification layer. The results showed that the binding energy reached a maximum when the m:n ratio of ASO was of 8:4, suggesting that a good bonding strength was achieved at this m:n ratio. It was also found that the cohesive energy density enhanced with the increase in the amino group content, and the higher the cohesive energy density, the easier the formation of the ASO modification layer. However, the fraction free volume decreased with the increase in the amino group content. This is good for improving the water-proof property of natural fiber. The present work can provide an effective method for predicting the modification effects and designing the optimized m:n ratio of ASO modification.

Effect of mold designs on molten metal behaviour in high-pressure die casting

NASA Astrophysics Data System (ADS)

Ibrahim, M. D.; Rahman, M. R. A.; Khan, A. A.; Mohamad, M. R.; Suffian, M. S. Z. M.; Yunos, Y. S.; Wong, L. K.; Mohtar, M. Z.

2017-04-01

This paper presents a research study conducted in a local automotive component manufacturer that produces aluminium alloy steering housing local and global markets. This study is to investigate the effect of design modification of mold in die casting as to improve the production rate. Design modification is carried out on the casting shot of the mold. Computer flow simulation was carried out to study the flow of molten metal in the mold with respect to the mold design modification. The design parameters of injection speed, die temperature and clamping force has been included in the study. The result of the simulation showed that modifications of casting shot give significant impact towards the molten flow behaviour in casting process. The capabilities and limitations of die casting process simulation to conduct defect analysis had been optimized. This research will enhance the efficiency of the mass production of the industry of die casting with the understanding of defect analysis, which lies on the modification of the mold design, a way early in its stages of production.

Estimating Mass Discharge From Dense Nonaqueous Phase Liquid Source Zones Using Upscaled Mass Transfer Coefficients: An Evaluation Using Multiphase Numerical Simulations

DTIC Science & Technology

2006-11-28

nonuniform permeability fields using the University of Texas Chemical Flooding Simulator ( UTCHEM 9.0) [Center for Petroleum and Geosystems Engineering...Engineering (2000), UTCHEM , Ver- sion 9.0 technical documentation, Univ. of Tex. at Austin, Austin. Chambers, J. E., M. H. Loke, R. D. Ogilvy, and P. I

Increased Uptake of Chelated Copper Ions by Lolium perenne Attributed to Amplified Membrane and Endodermal Damage

PubMed Central

Johnson, Anthea; Singhal, Naresh

2015-01-01

The contributions of mechanisms by which chelators influence metal translocation to plant shoot tissues are analyzed using a combination of numerical modelling and physical experiments. The model distinguishes between apoplastic and symplastic pathways of water and solute movement. It also includes the barrier effects of the endodermis and plasma membrane. Simulations are used to assess transport pathways for free and chelated metals, identifying mechanisms involved in chelate-enhanced phytoextraction. Hypothesized transport mechanisms and parameters specific to amendment treatments are estimated, with simulated results compared to experimental data. Parameter values for each amendment treatment are estimated based on literature and experimental values, and used for model calibration and simulation of amendment influences on solute transport pathways and mechanisms. Modeling indicates that chelation alters the pathways for Cu transport. For free ions, Cu transport to leaf tissue can be described using purely apoplastic or transcellular pathways. For strong chelators (ethylenediaminetetraacetic acid (EDTA) and diethylenetriaminepentaacetic acid (DTPA)), transport by the purely apoplastic pathway is insufficient to represent measured Cu transport to leaf tissue. Consistent with experimental observations, increased membrane permeability is required for simulating translocation in EDTA and DTPA treatments. Increasing the membrane permeability is key to enhancing phytoextraction efficiency. PMID:26512647

Seismic and aseismic deformations and impact on reservoir permeability: The case of EGS stimulation at The Geysers, California, USA

NASA Astrophysics Data System (ADS)

Jeanne, Pierre; Rutqvist, Jonny; Rinaldi, Antonio Pio; Dobson, Patrick F.; Walters, Mark; Hartline, Craig; Garcia, Julio

2015-11-01

In this paper, we use the Seismicity-Based Reservoir Characterization approach to study the spatiotemporal dynamics of an injection-induced microseismic cloud, monitored during the stimulation of an enhanced geothermal system, and associated with the Northwest Geysers Enhanced Geothermal System (EGS) Demonstration project (California). We identified the development of a seismically quiet domain around the injection well surrounded by a seismically active domain. Then we compare these observations with the results of 3-D Thermo-Hydro-Mechanical simulations of the EGS, which accounts for changes in permeability as a function of the effective normal stress and the plastic strain. The results of our modeling show that (1) the aseismic domain is caused by both the presence of the injected cold water and by thermal processes. These thermal processes cause a cooling-stress reduction, which prevent shear reactivation and favors fracture opening by reducing effective normal stress and locally increasing the permeability. This process is accompanied by aseismic plastic shear strain. (2) In the seismic domain, microseismicity is caused by the reactivation of the preexisting fractures, resulting from an increase in injection-induced pore pressure. Our modeling indicates that in this domain, permeability evolves according to the effective normal stress acting on the shear zones, whereas shearing of preexisting fractures may have a low impact on permeability. We attribute this lack of permeability gain to the fact that the initial permeabilities of these preexisting fractures are already high (up to 2 orders of magnitude higher than the host rock) and may already be fully dilated by past tectonic straining.

On the role of low-permeability beds in the acquisition of F and SO4 concentrations in a multi-layer aquifer, South-West France.

PubMed

Malcuit, E; Atteia, O; Larroque, F; Franceschi, M; Pryet, A

2014-11-15

Fluoride (F(-)) commonly threatens groundwater quality. This is the case around the city of Bordeaux (France), where numerous wells tapping the thick and complex Eocene aquifer are contaminated by fluoride, which presents an issue for drinking water supply. The joint analysis of the spatial distribution of fluoride with other species like sulfate suggests that concentrations are mainly related to the occurrence of low-permeability layers containing evaporites or fluorite deposits. In order to identify the origin of the observed concentrations, a radial flow and transport model is implemented at the borehole scale. The hydraulic conductivity of the low-permeability layers and the vertical dispersivity of the aquifer were optimized to match the observed values of sulfate and fluoride concentrations. Interestingly, each of these parameters influences differently the simulated concentrations. This model has been successfully implemented to a neighboring well with the same parameter values, which tests the approach. The major conclusions drawn are: (i) the contamination in fluoride originates from the low-permeability layers, (ii) every low-permeability layer intercepted by the well releases fluoride (iii) Contamination not only originates from pore water of low-permeability layers, but may persist with long-term pumping due to mineral dissolution. As a consequence, fluoride contamination is likely to persist for a long time and the only solution to reduce fluoride concentration in abstracted water is to seal well screens facing low-permeability layers. Copyright © 2014 Elsevier B.V. All rights reserved.

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.

Characterization of mechanisms of quinolone resistance in Pseudomonas aeruginosa strains isolated in vitro and in vivo during experimental endocarditis.

PubMed Central

Chamberland, S; Bayer, A S; Schollaardt, T; Wong, S A; Bryan, L E

1989-01-01

Mechanisms of resistance to quinolones were characterized in Pseudomonas aeruginosa strains isolated after Tn5 insertional mutagenesis and in resistant strains that emerged during pefloxacin therapy of experimental aortic endocarditis. Quinolone resistance achieved in in vitro-selected mutants Qr-1 and Qr-2 was associated with cross-resistance to several groups of antimicrobial agents, including beta-lactams, tetracycline, and chloramphenicol. A significant reduction of norfloxacin uptake was also observed. After ether permeabilization of the cells, DNA synthesis of these two isolates was as susceptible to norfloxacin as DNA synthesis of the parent strain (PAO1). These results indicate that alteration of outer membrane permeability is the primary determinant of resistance in these isolates. This altered cell permeability was correlated with reduction of outer membrane protein G (25.5 kilodaltons) and loss of a 40-kilodalton outer membrane protein in strain Qr-1. Resistance to quinolones that emerged during experimental endocarditis therapy was associated with both modification of outer membrane permeability (decreased uptake of norfloxacin) and decreased susceptibility of DNA synthesis to norfloxacin. Resistance was limited to quinolones and chloramphenicol. For these strains, norfloxacin inhibitory doses (50%) for DNA synthesis were identical to the drug MICs, suggesting that despite the identification of a permeability change, perhaps due to changes of lipopolysaccharide, the alteration of the quinolone intracellular target(s) susceptibility constitutes the primary determinant of resistance. Also, two distinct levels of norfloxacin resistance of DNA synthesis were found in these isolates, indicating that at least two distinct alterations of the drug target(s) are possible in P. aeruginosa. Images PMID:2502066

Modification of nanofibrillated cellulose using amphiphilic block-structured galactoglucomannans.

PubMed

Lozhechnikova, Alina; Dax, Daniel; Vartiainen, Jari; Willför, Stefan; Xu, Chunlin; Österberg, Monika

2014-09-22

Nanofibrillated cellulose (NFC) and hemicelluloses have shown to be highly promising renewable components both as barrier materials and in novel biocomposites. However, the hydrophilic nature of these materials restricts their use in some applications. In this work, the usability of modified O-acetyl galactoglucomannan (GGM) for modification of NFC surface properties was studied. Four GGM-block-structured, amphiphilic derivatives were synthesized using either fatty acids or polydimethylsiloxane as hydrophobic tails. The adsorption of these GGM derivatives was consecutively examined in aqueous solution using a quartz crystal microbalance with dissipation monitoring (QCM-D). It was found that the hydrophobic tails did not hinder adsorption of the GGM derivatives to cellulose, which was concluded to be due to the presence of the native GGM-block with high affinity to cellulose. The layer properties of the adsorbed block-co-polymers were discussed and evaluated. Self-standing NFC films were further prepared and coated with the GGM derivatives and the effect of the surface modification on wetting properties and oxygen permeability (OP) of the modified films was assessed. Copyright © 2014 Elsevier Ltd. All rights reserved.

Regulation of K transport in a mathematical model of the cortical collecting tubule.

PubMed

Strieter, J; Weinstein, A M; Giebisch, G; Stephenson, J L

1992-12-01

The effect of luminal flow rate and peritubular pH on Na and K transport is investigated in a mathematical model of the rabbit cortical collecting tubule. The model is used to simulate a 0.4-cm segment of tubule comprised of principal cell, alpha- and beta-intercalated cells, and lateral interspace. Calculations produce luminal profiles of Na, K, Cl, HCO3, and phosphate, as well as of electrical potential and pH. Parameter sets are developed that permit representation of both unstimulated and deoxycorticosterone acetate-stimulated tubules. A series of simulations is performed in which initial luminal flow rate is varied over the range of values between 0.1 and 30 nl/min. A marked flow-dependent enhancement of Na reabsorption and K secretion is seen, especially at lower flows, while Cl and HCO3 transport remain relatively constant. In experimental studies, it has been observed that metabolic alkalosis stimulates and metabolic acidosis inhibits K secretion, while leaving Na transport relatively unaffected [B. A. Stanton and G. Giebisch. Am. J. Physiol. 242 (Renal Fluid Electrolyte Physiol. 11): F544-F551, 1982; K. Tabei, S. Muto, Y. Ando, Y. Sakairi, and Y. Asano. J. Am. Soc. Nephrol. 1: 693, 1990; and K. Tabei, S. Muto, H. Furuya, and Y. Asano. J. Am. Soc. Nephrol. 2: 752, 1991]. Model calculations indicate that, when ion permeabilities are fixed and not dependent on pH, the impact of peritubular HCO3 on K secretion cannot be simulated. When junctional Cl permeability decreases with increasing interspace pH (E. M. Wright and J. M. Diamond. Biochim. Biophys. Acta 163: 57-74, 1968) in the model, there is a marked stimulation of K secretion with alkalosis and inhibition with acidosis. Furthermore, inclusion of a pH-dependent apical Na permeability [L. G. Palmer and G. Frindt. Am. J. Physiol. 253 (Renal Fluid Electrolyte Physiol. 22): F333-F339, 1987] that increases with increasing principal cell pH significantly reduces the change in Na+ reabsorption seen with the pH-dependent junctional Cl permeability alone. In these calculations, a pH-dependent apical K permeability [W. Wang, A. Schwab, and G. Giebisch. Am. J. Physiol. 259 (Renal Fluid Electrolyte Physiol. 28): F494-F502, 1990] that increases with increasing principal cell pH shows relatively little impact on K secretion.

The Impact of Well-Field Configuration and Permeability Heterogeneity on Contaminant Mass Removal and Plume Persistence

NASA Astrophysics Data System (ADS)

Guo, Z.; Brusseau, M. L.

2015-12-01

The purpose of this study is to investigate the effects of well-field hydraulics and permeability heterogeneity on mass-removal efficiency for systems comprising large groundwater contaminant plumes. A three-dimensional (3D) numerical model was used to simulate the impact of different well-field configurations on pump-and-treat mass removal for heterogeneous domains. The relationship between reduction in contaminant mass discharge (CMDR) and mass removal (MR) was used as the metric to examine remediation efficiency. The impacts of well-field configuration on mass removal behavior is attributed to mass-transfer constraints associated with regions of low flow, which can be muted by the influence of permeability heterogeneity. These impacts are reflected in the associated CMDR-MR profiles. Systems whose CDMR-MR profiles are below the 1:1 relationship line are associated with more efficient well-field configurations. The impact of domain heterogeneity on mass-removal effectiveness was investigated in terms of both variance and correlation scale of the random permeability distributions and indexed by the CMDR-MR relationship. Data collected from pump-and-treat operations conducted in a section of the Tucson International Airport Area (TIAA) federal Superfund site were used as a case study. The comparison between simulated and measured site data supports the general validity of the numerical model, and results from the case study are consistent with the conclusions of the theoretical study. These results illustrate that the CMDR-MR relationship can be an effective way to quantify the impacts of different factors on mass-removal efficiency.

Performance enhanced miniaturized and electrically tunable patch antenna with patterned permalloy based magneto-dielectric substrate

NASA Astrophysics Data System (ADS)

Peng, Yujia; Farid Rahman, B. M.; Wang, Xuehe; Wang, Guoan

2014-05-01

Perspective magneto-dielectric materials with high permeability are potential substrates to miniaturize the patch antenna without deteriorating its performance. Besides its high permeability at high frequency, patterned Permalloy (Py) also presents tunable permeability by applying DC current. A performance enhanced miniaturized and electrically tunable patch antenna with patterned Py thin film is first presented and developed in this paper. To suppress the magnetic loss, the Py thin film layer is consisted of an array of 2 μm × 2 μm square Py patterns between the copper patch antenna and dielectric substrate. The DC current could be applied directly on Py patterns through the copper strip lines beneath the Py patterns along the length of patch antenna. The copper strip lines are specially designed with the same width of Py patterns and the thickness much less than the skin depth at the operating frequency, which can reduce their deteriorating effects to the performance of antenna. The structure of the antenna is presented and simulated with high frequency structure simulator. The results show that compared with non-magnetic antenna, the performance of Py thin film based antenna is improved with 50% bandwidth increase from 4 MHz to 8 MHz and 1.2 dB gain enhancement from 1.16 dB to 2.36 dB. The resonant frequency of the antenna could be continuously tuned from 937 MHz to 911 MHz with the permeability of Py thin film changing from 1750 to 1 900 by applying the DC current.

Numerical solution of fractured horizontal wells in shale gas reservoirs considering multiple transport mechanisms

NASA Astrophysics Data System (ADS)

Zhao, Yu-long; Tang, Xu-chuan; Zhang, Lie-hui; Tang, Hong-ming; Tao, Zheng-Wu

2018-06-01

The multiscale pore size and specific gas storage mechanism in organic-rich shale gas reservoirs make gas transport in such reservoirs complicated. Therefore, a model that fully incorporates all transport mechanisms and employs an accurate numerical method is urgently needed to simulate the gas production process. In this paper, a unified model of apparent permeability was first developed, which took into account multiple influential factors including slip flow, Knudsen diffusion (KD), surface diffusion, effects of the adsorbed layer, permeability stress sensitivity, and ad-/desorption phenomena. Subsequently, a comprehensive mathematical model, which included the model of apparent permeability, was derived to describe gas production behaviors. Thereafter, on the basis of unstructured perpendicular bisection grids and finite volume method, a fully implicit numerical simulator was developed using Matlab software. The validation and application of the new model were confirmed using a field case reported in the literature. Finally, the impacts of related influencing factors on gas production were analyzed. The results showed that KD resulted in a negligible impact on gas production in the proposed model. The smaller the pore size was, the more obvious the effects of the adsorbed layer on the well production rate would be. Permeability stress sensitivity had a slight effect on well cumulative production in shale gas reservoirs. Adsorbed gas made a major contribution to the later flow period of the well; the greater the adsorbed gas content, the greater the well production rate would be. This paper can improve the understanding of gas production in shale gas reservoirs for petroleum engineers.

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.

Theoretical analysis of the performance of glucose sensors with layer-by-layer assembled outer membranes.

PubMed

Croce, Robert A; Vaddiraju, Santhisagar; Papadimitrakopoulos, Fotios; Jain, Faquir C

2012-10-01

The performance of implantable electrochemical glucose sensors is highly dependent on the flux-limiting (glucose, H(2)O(2), O(2)) properties of their outer membranes. A careful understanding of the diffusion profiles of the participating species throughout the sensor architecture (enzyme and membrane layer) plays a crucial role in designing a robust sensor for both in vitro and in vivo operation. This paper reports the results from the mathematical modeling of Clark's first generation amperometric glucose sensor coated with layer-by-layer assembled outer membranes in order to obtain and compare the diffusion profiles of various participating species and their effect on sensor performance. Devices coated with highly glucose permeable (HAs/Fe(3+)) membranes were compared with devices coated with PSS/PDDA membranes, which have an order of magnitude lower permeability. The simulation showed that the low glucose permeable membrane (PSS/PDDA) sensors exhibited a 27% higher amperometric response than the high glucose permeable (HAs/Fe(3+)) sensors. Upon closer inspection of H(2)O(2)diffusion profiles, this non-typical higher response from PSS/PDDA is not due to either a larger glucose flux or comparatively larger O(2) concentrations within the sensor geometry, but rather is attributed to a 48% higher H(2)O(2) concentration in the glucose oxidase enzyme layer of PSS/PDDA coated sensors as compared to HAs/Fe(3+) coated ones. These simulated results corroborate our experimental findings reported previously. The high concentration of H(2)O(2) in the PSS/PDDA coated sensors is due to the low permeability of H(2)O(2) through the PSS/PDDA membrane, which also led to an undesired increase in sensor response time. Additionally, it was found that this phenomenon occurs for all enzyme thicknesses investigated (15, 20 and 25 nm), signifying the need for a holistic approach in designing outer membranes for amperometric biosensors.

Modification of NASA Langley 8 foot high temperature tunnel to provide a unique national research facility for hypersonic air-breathing propulsion systems

NASA Technical Reports Server (NTRS)

Kelly, H. N.; Wieting, A. R.

1984-01-01

A planned modification of the NASA Langley 8-Foot High Temperature Tunnel to make it a unique national research facility for hypersonic air-breathing propulsion systems is described, and some of the ongoing supporting research for that modification is discussed. The modification involves: (1) the addition of an oxygen-enrichment system which will allow the methane-air combustion-heated test stream to simulate air for propulsion testing; and (2) supplemental nozzles to expand the test simulation capability from the current nominal Mach number to 7.0 include Mach numbers 3.0, 4.5, and 5.0. Detailed design of the modifications is currently underway and the modified facility is scheduled to be available for tests of large scale propulsion systems by mid 1988.

Effect of Discrete Fracture Network Characteristics on the Sustainability of Heat Production in Enhanced Geothermal Reservoirs

NASA Astrophysics Data System (ADS)

Riahi, A.; Damjanac, B.

2013-12-01

Viability of an enhanced or engineered geothermal reservoir is determined by the rate of produced fluid at production wells and the rate of temperature drawdown in the reservoir as well as that of the produced fluid. Meeting required targets demands sufficient permeability and flow circulation in a relatively large volume of rock mass. In-situ conditions such overall permeability of the bedrock formation, magnitude and orientation of stresses, and the characteristics of the existing Discrete Fracture Network (DFN) greatly affect sustainable heat production. Because much of the EGS resources are in formations with low permeability, different stimulation techniques are required prior to the production phase to enhance fluid circulation. Shear stimulation or hydro-shearing is the method of injecting a fluid into the reservoir with the aim of increasing the fluid pressure in the naturally fractured rock and inducing shear failure or slip events. This mechanism can enhance the system's permeability through permanent dilatational opening of the sheared fractures. Using a computational modeling approach, the correlation between heat production and DFN statistical characteristics, namely the fracture length distribution, fracture orientation, and also fracture density is studied in this paper. Numerical analyses were completed using two-dimensional distinct element code UDEC (Itasca, 2011), which represents rock masses as an assembly of interacting blocks separated by fractures. UDEC allows for simulation of fracture propagation along the predefined planes only (i.e., the trajectory of the hydraulic fracture is not part of the solution of the problem). Thus, the hydraulic fracture is assumed to be planar, aligned with the direction of the major principal stress. The pre-existing fractures were represented explicitly. They are discontinuities which deform elastically, but also can open and slip (Coulomb slip law) as a function of pressure and total stress changes. The fluid injection into the reservoir during stimulation phase was simulated using a fully coupled hydro-mechanical model. The heat production phase was simulated using a coupled thermo-hydro-mechanical model. In these simulations, both advective heat transfer by fluid flow and the conductive heat transfer within the rock blocks were modeled. The effect of temperature change on stresses and fracture aperture, and thus flow rates was considered. The response of formations with different DFN characteristics are analyzed by evaluating the production rate, produced power, and total energy extracted from the system over a period of five years. By simulating a full cycle of stimulation and production, the numerical modeling approach represents a realistic estimate of evolving permeability and evaluates how stimulation can be beneficial to the production phase. It is believed that these numerical sensitivity studies can provide valuable insight in evaluation of the potential of success of an EGS project, and can be used to better design the operational parameters in order to optimize heat production. Keywords: Numerical modeling, rock mechanics, discrete fracture network, stimulation, engineered geothermal reservoirs, heat production

Design and implementation of a shearing apparatus for the experimental study of shear displacement in rocks

NASA Astrophysics Data System (ADS)

Moore, Johnathan; Crandall, Dustin; Gill, Magdalena; Brown, Sarah; Tennant, Bryan

2018-04-01

Fluid flow in the subsurface is not well understood in the context of "impermeable" geologic media. This is especially true of formations that have undergone significant stress fluctuations due to injection or withdrawal of fluids that alters the localized pressure regime. When the pressure regime is altered, these formations, which are often already fractured, move via shear to reduce the imbalance in the stress state. While this process is known to happen, the evolution of these fractures and their effects on fluid transport are still relatively unknown. Numerous simulation and several experimental studies have been performed that characterize the relationship between shearing and permeability in fractures; while many of these studies utilize measurements of fluid flow or the starting and ending geometries of the fracture to characterize shear, they do not characterize the intermediate stages during shear. We present an experimental apparatus based on slight modifications to a commonly available Hassler core holder that allows for shearing of rocks, while measuring the hydraulic and mechanical changes to geomaterials during intermediate steps. The core holder modification employs the use of semi-circular end caps and structural supports for the confining membrane that allow for free movement of the sheared material while preventing membrane collapse. By integrating this modified core holder with a computed tomography scanner, we show a new methodology for understanding the interdependent behavior between fracture structure and flow properties during intermediate steps in shearing. We include a case study of this device function which is shown here through shearing of a fractured shale core and simultaneous observation of the mechanical changes and evolution of the hydraulic properties during shearing.

Design and implementation of a shearing apparatus for the experimental study of shear displacement in rocks.

PubMed

Moore, Johnathan; Crandall, Dustin; Gill, Magdalena; Brown, Sarah; Tennant, Bryan

2018-04-01

Fluid flow in the subsurface is not well understood in the context of "impermeable" geologic media. This is especially true of formations that have undergone significant stress fluctuations due to injection or withdrawal of fluids that alters the localized pressure regime. When the pressure regime is altered, these formations, which are often already fractured, move via shear to reduce the imbalance in the stress state. While this process is known to happen, the evolution of these fractures and their effects on fluid transport are still relatively unknown. Numerous simulation and several experimental studies have been performed that characterize the relationship between shearing and permeability in fractures; while many of these studies utilize measurements of fluid flow or the starting and ending geometries of the fracture to characterize shear, they do not characterize the intermediate stages during shear. We present an experimental apparatus based on slight modifications to a commonly available Hassler core holder that allows for shearing of rocks, while measuring the hydraulic and mechanical changes to geomaterials during intermediate steps. The core holder modification employs the use of semi-circular end caps and structural supports for the confining membrane that allow for free movement of the sheared material while preventing membrane collapse. By integrating this modified core holder with a computed tomography scanner, we show a new methodology for understanding the interdependent behavior between fracture structure and flow properties during intermediate steps in shearing. We include a case study of this device function which is shown here through shearing of a fractured shale core and simultaneous observation of the mechanical changes and evolution of the hydraulic properties during shearing.

VE-cadherin Y685F knock-in mouse is sensitive to vascular permeability in recurrent angiogenic organs.

PubMed

Sidibé, Adama; Polena, Helena; Pernet-Gallay, Karin; Razanajatovo, Jeremy; Mannic, Tiphaine; Chaumontel, Nicolas; Bama, Soumalamaya; Maréchal, Irène; Huber, Philippe; Gulino-Debrac, Danielle; Bouillet, Laurence; Vilgrain, Isabelle

2014-08-01

Covalent modifications such as tyrosine phosphorylation are associated with the breakdown of endothelial cell junctions and increased vascular permeability. We previously showed that vascular endothelial (VE)-cadherin was tyrosine phosphorylated in vivo in the mouse reproductive tract and that Y685 was a target site for Src in response to vascular endothelial growth factor in vitro. In the present study, we aimed to understand the implication of VE-cadherin phosphorylation at site Y685 in cyclic angiogenic organs. To achieve this aim, we generated a knock-in mouse carrying a tyrosine-to-phenylalanine point mutation of VE-cadherin Y685 (VE-Y685F). Although homozygous VE-Y685F mice were viable and fertile, the nulliparous knock-in female mice exhibited enlarged uteri with edema. This phenotype was observed in 30% of females between 4 to 14 mo old. Histological examination of longitudinal sections of the VE-Y685F uterus showed an extensive disorganization of myometrium and endometrium with highly edematous uterine glands, numerous areas with sparse cells, and increased accumulation of collagen fibers around blood vessels, indicating a fibrotic state. Analysis of cross section of ovaries showed the appearance of spontaneous cysts, which suggested increased vascular hyperpermeability. Electron microscopy analysis of capillaries in the ovary showed a slight but significant increase in the gap size between two adjacent endothelial cell membranes in the junctions of VE-Y685F mice (wild-type, 11.5 ± 0.3, n = 78; and VE-Y685F, 12.48 ± 0.3, n = 65; P = 0.045), as well as collagen fiber accumulation around capillaries. Miles assay revealed that either basal or vascular endothelial growth factor-stimulated permeability in the skin was increased in VE-Y685F mice. Since edema and fibrotic appearance have been identified as hallmarks of initial increased vascular permeability, we conclude that the site Y685 in VE-cadherin is involved in the physiological regulation of capillary permeability. Furthermore, this knock-in mouse model is of potential interest for further studies of diseases that are associated with abnormal vascular permeability. Copyright © 2014 the American Physiological Society.

Imaging biofilms in porous media using X-ray computed micro-tomography

NASA Astrophysics Data System (ADS)

Davit, Y.; Debenest, G.; Quintard, M.

2009-12-01

In soils and rivers subsurface, bacterial biofilms growth induce modifications of mass and momentum transport dynamics. Evidence for these modifications have been developed essentially by inspection, that is, observation of the reduction of hydraulic conductivity, permeability, changes in porosity and anomalous transport. Deeper understanding of these sessile communities in porous media environments and of the multiscale/multiphase complexity of the system requires 3-D informations concerning the pore-scale/biofilm-scale geometry. Additionnally, breakthroughs in imaging techniques are likely to trigger breakthroughs in the theoretical analysis. In this study, we develop a new technique for direct observation and imaging of unstrained biofilms in porous media using X-ray computed micro-tomography. The biofilms are grown for ten days on polyamide and expanded polystyrene beads placed in small plastic columns. A circulation of water from the river Garonne (France) is imposed using peristaltic pumps. No particular bacterial strain is introduced, the micro-organisms being naturally present in the water from the river. The X-ray acquisition is performed by a Skyscan-1174 micro-CT. A special experimental technique, based on two different contrast agents, has been designed to solve the challenging problem of imaging 3 phases of initial similar absorption coefficients. On the one hand, we use a suspension of barium sulfate to enhance the contrast of the water-phase. On the other hand, the absorption of the biofilm-phase is increased using iodine which diffuses into the polymeric matrix. Examples of reconstructed images are given to illustrate the effectiveness of the method. We demonstrate how to combine the 3-D measurements with upscaling techniques such as volume averaging, by calculating the modifications of the permeability of the system when biofilms grow. At last, we aim to couple these 3-D measurements with upscaled reactive models to describe the Darcy-scale transport and degradation of contaminants in subsurface zones.

pH-dependent stability of creatine ethyl ester: relevance to oral absorption.

PubMed

Gufford, Brandon T; Ezell, Edward L; Robinson, Dennis H; Miller, Donald W; Miller, Nicholas J; Gu, Xiaochen; Vennerstrom, Jonathan L

2013-09-01

Creatine ethyl ester hydrochloride (CEE) was synthesized as a prodrug of creatine (CRT) to improve aqueous solubility, gastrointestinal permeability, and ultimately the pharmacodynamics of CRT. We used high-performance liquid chromatography (HPLC) and proton nuclear magnetic resonance (NMR) to characterize the pH-dependent stability of CEE in aqueous solution and compared the permeability of CEE to CRT and creatinine (CRN) across Caco-2 human epithelial cell monolayers and transdermal permeability across porcine skin. CEE was most stable in a strongly acidic condition (half-life = 570 hours at pH 1.0) where it undergoes ester hydrolysis to CRT and ethanol. At pH ≥ 1.0, CEE cyclizes to CRN with the logarithm of the first order rate constant increasing linearly with pH. Above pH 8.0 (half-life = 23 sec) the rate of degradation was too rapid to be determined. The rate of degradation of CEE in cell culture media and simulated intestinal fluid (SIF) was a function of pH and correlated well with the stability in aqueous buffered solutions. The permeability of CEE across Caco-2 monolayers and porcine skin was significantly greater than that of CRT or CRN. The stability of CEE in acidic media together with its improved permeability suggests that CEE has potential for improved oral absorption compared to CRT.

Uncertainty quantification for evaluating the impacts of fracture zone on pressure build-up and ground surface uplift during geological CO₂ sequestration

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

Bao, Jie; Hou, Zhangshuan; Fang, Yilin

2015-06-01

A series of numerical test cases reflecting broad and realistic ranges of geological formation and preexisting fault properties was developed to systematically evaluate the impacts of preexisting faults on pressure buildup and ground surface uplift during CO₂ injection. Numerical test cases were conducted using a coupled hydro-geomechanical simulator, eSTOMP (extreme-scale Subsurface Transport over Multiple Phases). For efficient sensitivity analysis and reliable construction of a reduced-order model, a quasi-Monte Carlo sampling method was applied to effectively sample a high-dimensional input parameter space to explore uncertainties associated with hydrologic, geologic, and geomechanical properties. The uncertainty quantification results show that the impacts onmore » geomechanical response from the pre-existing faults mainly depend on reservoir and fault permeability. When the fault permeability is two to three orders of magnitude smaller than the reservoir permeability, the fault can be considered as an impermeable block that resists fluid transport in the reservoir, which causes pressure increase near the fault. When the fault permeability is close to the reservoir permeability, or higher than 10⁻¹⁵ m² in this study, the fault can be considered as a conduit that penetrates the caprock, connecting the fluid flow between the reservoir and the upper rock.« less

Critical Dynamics of Gravito-Convective Mixing in Geological Carbon Sequestration

PubMed Central

Soltanian, Mohamad Reza; Amooie, Mohammad Amin; Dai, Zhenxue; Cole, David; Moortgat, Joachim

2016-01-01

When CO2 is injected in saline aquifers, dissolution causes a local increase in brine density that can cause Rayleigh-Taylor-type gravitational instabilities. Depending on the Rayleigh number, density-driven flow may mix dissolved CO2 throughout the aquifer at fast advective time-scales through convective mixing. Heterogeneity can impact density-driven flow to different degrees. Zones with low effective vertical permeability may suppress fingering and reduce vertical spreading, while potentially increasing transverse mixing. In more complex heterogeneity, arising from the spatial organization of sedimentary facies, finger propagation is reduced in low permeability facies, but may be enhanced through more permeable facies. The connectivity of facies is critical in determining the large-scale transport of CO2-rich brine. We perform high-resolution finite element simulations of advection-diffusion transport of CO2 with a focus on facies-based bimodal heterogeneity. Permeability fields are generated by a Markov Chain approach, which represent facies architecture by commonly observed characteristics such as volume fractions. CO2 dissolution and phase behavior are modeled with the cubic-plus-association equation-of-state. Our results show that the organization of high-permeability facies and their connectivity control the dynamics of gravitationally unstable flow. We discover new flow regimes in both homogeneous and heterogeneous media and present quantitative scaling relations for their temporal evolution. PMID:27808178

The Researches on Reasonable Well Spacing of Gas Wells in Deep and low Permeability Gas Reservoirs

NASA Astrophysics Data System (ADS)

Bei, Yu Bei; Hui, Li; Lin, Li Dong

2018-06-01

This Gs64 gas reservoir is a condensate gas reservoir which is relatively integrated with low porosity and low permeability found in Dagang Oilfield in recent years. The condensate content is as high as 610g/m3. At present, there are few reports about the well spacing of similar gas reservoirs at home and abroad. Therefore, determining the reasonable well spacing of the gas reservoir is important for ensuring the optimal development effect and economic benefit of the gas field development. This paper discusses the reasonable well spacing of the deep and low permeability gas reservoir from the aspects of percolation mechanics, gas reservoir engineering and numerical simulation. considering there exist the start-up pressure gradient in percolation process of low permeability gas reservoir, this paper combined with productivity equation under starting pressure gradient, established the formula of gas well spacing with the formation pressure and start-up pressure gradient. The calculation formula of starting pressure gradient and well spacing of gas wells. Adopting various methods to calculate values of gas reservoir spacing are close to well testing' radius, so the calculation method is reliable, which is very important for the determination of reasonable well spacing in low permeability gas reservoirs.

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.

An Analytical Solution and Numerical Modeling Study of Gas Hydrate Saturation Effects on Porosity and Permeability of Porous Media

NASA Astrophysics Data System (ADS)

Zerpa, L.; Gao, F.; Wang, S.

2017-12-01

There are two major types of natural gas hydrate distributions in porous media: pore filling and contact cementing. The difference between these two distribution types is related to hydrate nucleation and growth processes. In the pore filling distribution, hydrate nucleates from a gas-dissolved aqueous phase at the grain boundary and grows away from grain contacts and surfaces into the pore space. In the contact cementing distribution, hydrate nucleates and grows at the gas-water interface and at intergranular contacts. Previous attempts to correlate changes on porosity and permeability during hydrate formation/dissociation were based on the length difference between the pore body and pore throat, and only considered contact cementing hydrate distribution. This work consists of a study of mathematical models of permeability and porosity as a function of gas hydrate saturation during formation and dissociation of gas hydrates in porous media. In this work, first we derive the permeability equation for the pore filling hydrate deposition as a function of hydrate saturation. Then, a more comprehensive model considering both types of gas hydrate deposition is developed to represent changes in permeability and porosity during hydrate formation and dissociation. This resulted in a model that combines pore filling and contact cementing deposition types in the same reservoir. Finally, the TOUGH+Hydrate numerical reservoir simulator was modified to include these models to analyze the response of production and saturation during a depressurization process, considering different combinations of pore filling and contact cementing hydrate distributions. The empirical exponent used in the permeability adjustment factor model influences both production profile and saturation results. This empirical factor describes the permeability dependence to changes in porosity caused by solid phase formation in the porous medium. The use of the permeability exponent decreases the permeability of the system for a given hydrate saturation, which affects the hydraulic performance of the system. However, from published experimental work, there is only a rough estimation of this permeability exponent. This factor could be represented with an empirical equation if more laboratory and field data becomes available.

A comparison of etched-geometry and overgrown silicon permeable base transistors by two-dimensional numerical simulations

NASA Astrophysics Data System (ADS)

Vojak, B. A.; Alley, G. D.

1983-08-01

Two-dimensional numerical simulations are used to compare etched geometry and overgrown Si permeable base transistors (PTBs), considering both the etched collector and etched emitter biasing conditions made possible by the asymmetry of the etched structure. In PTB devices, the two-dimensional nature of the depletion region near the Schottky contact base grating results in a smaller electron barrier and, therefore, a larger collector current in the etched than in the overgrown structure. The parasitic feedback effects which result at high base-to-emitter bias levels lead to a deviation from the square-law behavior found in the collector characteristics of the overgrown PBT. These structures also have lower device capacitances and smaller transconductances at high base-to-emitter voltages. As a result, overgrown and etched structures have comparable predicted maximum values of the small signal unity short-circuit current gain frequency and maximum oscillation frequency.

Modelling mechanical behaviour of limestone under reservoir conditions

NASA Astrophysics Data System (ADS)

Carvalho Coelho, Lúcia; Soares, Antonio Claudio; Ebecken, Nelson Francisco F.; Drummond Alves, José Luis; Landau, Luiz

2006-12-01

High porosity and low permeability limestone has presented pore collapse. As fluid is withdrawn from these reservoirs, the effective stresses acting on the rock increase. If the strength of the rock is overcome, pore collapse may occur, leading to irreversible compaction of porous media with permeability and porosity reduction. It impacts on fluid withdrawal. Most of reservoirs have been discovered in weak formations, which are susceptible to this phenomenon. This work presents a study on the mechanical behaviour of a porous limestone from a reservoir located in Campos Basin, offshore Brazil. An experimental program was undergone in order to define its elastic plastic behaviour. The tests reproduced the loading path conditions expected in a reservoir under production. Parameters of the cap model were fitted to these tests and numerical simulations were run. The numerical simulations presented a good agreement with the experimental tests. Copyright

Noise suppression and crosstalk analysis of on-chip magnetic film-type noise suppressor

NASA Astrophysics Data System (ADS)

Ma, Jingyan; Muroga, Sho; Endo, Yasushi; Hashi, Shuichiro; Naoe, Masayuki; Yokoyama, Hiroo; Hayashi, Yoshiaki; Ishiyama, Kazushi

2018-05-01

This paper discusses near field, conduction and crosstalk noise suppression of magnetic films with uniaxial anisotropy on transmission lines for a film-type noise suppressor in the GHz frequency range. The electromagnetic noise suppressions of magnetic films with different permeability and resistivity were measured and simulated with simple microstrip lines. The experimental and simulated results of Co-Zr-Nb and CoPd-CaF2 films agreed with each other. The results indicate that the higher permeability leads to a better near field shielding, and in the frequency range of 2-7 GHz, a higher conduction noise suppression. It also suggests that the higher resistivity results in a better crosstalk suppression in the frequency range below 2 GHz. These results can support the design guidelines of the magnetic film-type noise suppressor used in the next generation IC chip.

Coarse-grained molecular dynamics simulation of activated penetrant transport in glassy polymers.

PubMed

Zhang, Kai; Meng, Dong; Müller-Plathe, Florian; Kumar, Sanat K

2018-01-17

Membrane separations of gas mixtures strive to maximize the permeability of a desired species while keeping out undesired ones. Permeability vs. selectivity data from many polymer membranes for a given gas pair with diameters d A and d B are typically collected in a "Robeson plot"', and are bound from above by a line with a slope λ = (d B /d A ) 2 - 1. A microscopic understanding of this relationship, especially λ, is still missing. We perform molecular dynamics simulations of penetrant diffusion using three different coarse-grained polymer models over a wide range of penetrant sizes, temperatures, and monomer densities. The empirically relevant λ = (d B /d A ) 2 - 1 is only found for polymers that are either supercooled liquids with caged segmental dynamics or glasses and when the penetrant size is approximately half the Kuhn length of the chains, for which the penetrant diffusion is an activated process.

The role of wellbore remediation on the evolution of groundwater quality from CO₂ and brine leakage

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

Mansoor, Kayyum; Carroll, Susan A.; Sun, Yunwei

Long-term storage of CO₂ in underground reservoirs requires a careful assessment to evaluate risk to groundwater sources. The focus of this study is to assess time-frames required to restore water quality to pre-injection levels based on output from complex reactive transport simulations that exhibit plume retraction within a 200-year simulation period. We examined the relationship between plume volume, cumulative injected CO₂ mass, and permeability. The role of mitigation was assessed by projecting falloffs in plume volumes from their maximum peak levels with a Gaussian function to estimate plume recovery times to reach post-injection groundwater compositions. The results show a strongmore » correlation between cumulative injected CO₂ mass and maximum plume pH volumes and a positive correlation between CO₂ flux, cumulative injected CO₂, and plume recovery times, with secondary dependence on permeability.« less

The role of wellbore remediation on the evolution of groundwater quality from CO₂ and brine leakage

DOE PAGES

Mansoor, Kayyum; Carroll, Susan A.; Sun, Yunwei

2014-12-31

Long-term storage of CO₂ in underground reservoirs requires a careful assessment to evaluate risk to groundwater sources. The focus of this study is to assess time-frames required to restore water quality to pre-injection levels based on output from complex reactive transport simulations that exhibit plume retraction within a 200-year simulation period. We examined the relationship between plume volume, cumulative injected CO₂ mass, and permeability. The role of mitigation was assessed by projecting falloffs in plume volumes from their maximum peak levels with a Gaussian function to estimate plume recovery times to reach post-injection groundwater compositions. The results show a strongmore » correlation between cumulative injected CO₂ mass and maximum plume pH volumes and a positive correlation between CO₂ flux, cumulative injected CO₂, and plume recovery times, with secondary dependence on permeability.« less

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.

Multi-Shell Hollow Nanogels with Responsive Shell Permeability

PubMed Central

Schmid, Andreas J.; Dubbert, Janine; Rudov, Andrey A.; Pedersen, Jan Skov; Lindner, Peter; Karg, Matthias; Potemkin, Igor I.; Richtering, Walter

2016-01-01

We report on hollow shell-shell nanogels with two polymer shells that have different volume phase transition temperatures. By means of small angle neutron scattering (SANS) employing contrast variation and molecular dynamics (MD) simulations we show that hollow shell-shell nanocontainers are ideal systems for controlled drug delivery: The temperature responsive swelling of the inner shell controls the uptake and release, while the thermoresponsive swelling of the outer shell controls the size of the void and the colloidal stability. At temperatures between 32 °C < T < 42 °C, the hollow nanocontainers provide a significant void, which is even larger than the initial core size of the template, and they possess a high colloidal stability due to the steric stabilization of the swollen outer shell. Computer simulations showed, that temperature induced switching of the permeability of the inner shell allows for the encapsulation in and release of molecules from the cavity. PMID:26984478

Numerical simulation of two-phase filtration in the near well bore zone

NASA Astrophysics Data System (ADS)

Maksat, Kalimoldayev; Kalipa, Kuspanova; Kulyash, Baisalbayeva; Orken, Mamyrbayev; Assel, Abdildayeva

2018-04-01

On the basis of the fundamental laws of energy conservation, nonstationary processes of filtration of two-phase liquids in multilayered reservoirs in the near well bore zone are considered. Number of reservoirs, fluid pressure in the given reservoirs, reservoir permeability, oil viscosity, etc. are taken into account upon that. Plane-parallel flow and axisymmetric cases have been studied. In the numerical solution, non-structured meshes are used. Closer to the well, the meshes thicken. The integration step over time is defined by the generalized Courant inequality. As a result, there are no large oscillations in the numerical solutions obtained. Oil production rates, Poisson's ratios, D-diameters of the well, filter height, filter permeability, and cumulative thickness of the filter cake and the area have been taken as the main inputs in numerical simulation of non-stationary processes of two-phase filtration.

On the effects of subsurface parameters on evaporite dissolution (Switzerland)

NASA Astrophysics Data System (ADS)

Zidane, Ali; Zechner, Eric; Huggenberger, Peter; Younes, Anis

2014-05-01

Uncontrolled subsurface evaporite dissolution could lead to hazards such as land subsidence. Observed subsidences in a study area of Northwestern Switzerland were mainly due to subsurface dissolution (subrosion) of evaporites such as halite and gypsum. A set of 2D density driven flow simulations were evaluated along 1000 m long and 150 m deep 2D cross sections within the study area that is characterized by tectonic horst and graben structures. The simulations were conducted to study the effect of the different subsurface parameters that could affect the dissolution process. The heterogeneity of normal faults and its impact on the dissolution of evaporites is studied by considering several permeable faults that include non-permeable areas. The mixed finite element method (MFE) is used to solve the flow equation, coupled with the multipoint flux approximation (MPFA) and the discontinuous Galerkin method (DG) to solve the diffusion and the advection parts of the transport equation.

Sonoporation at Small and Large Length Scales: Effect of Cavitation Bubble Collapse on Membranes.

PubMed

Fu, Haohao; Comer, Jeffrey; Cai, Wensheng; Chipot, Christophe

2015-02-05

Ultrasound has emerged as a promising means to effect controlled delivery of therapeutic agents through cell membranes. One possible mechanism that explains the enhanced permeability of lipid bilayers is the fast contraction of cavitation bubbles produced on the membrane surface, thereby generating large impulses, which, in turn, enhance the permeability of the bilayer to small molecules. In the present contribution, we investigate the collapse of bubbles of different diameters, using atomistic and coarse-grained molecular dynamics simulations to calculate the force exerted on the membrane. The total impulse can be computed rigorously in numerical simulations, revealing a superlinear dependence of the impulse on the radius of the bubble. The collapse affects the structure of a nearby immobilized membrane, and leads to partial membrane invagination and increased water permeation. The results of the present study are envisioned to help optimize the use of ultrasound, notably for the delivery of drugs.

Spatial and temporal variability in the R-5 infiltration data set: Déjà vu and rainfall-runoff simulations

NASA Astrophysics Data System (ADS)

Loague, Keith; Kyriakidis, Phaedon C.

1997-12-01

This paper is a continuation of the event-based rainfall-runoff model evaluation study reported by Loague and Freeze [1985[. Here we reevaluate the performance of a quasi-physically based rainfall-runoff model for three large events from the well-known R-5 catchment. Five different statistical criteria are used to quantitatively judge model performance. Temporal variability in the large R-5 infiltration data set [Loague and Gander, 1990] is filtered by working in terms of permeability. The transformed data set is reanalyzed via geostatistical methods to model the spatial distribution of permeability across the R-5 catchment. We present new estimates of the spatial distribution of infiltration that are in turn used in our rainfall-runoff simulations with the Horton rainfall-runoff model. The new rainfall-runoff simulations, complicated by reinfiltration impacts at the smaller scales of characterization, indicate that the near-surface hydrologic response of the R-5 catchment is most probably dominated by a combination of the Horton and Dunne overland flow mechanisms.

Simulation of gas phase transport of carbon-14 at Yucca Mountain, Nevada, USA

USGS Publications Warehouse

Lu, N.; Ross, B.

1994-01-01

We have simulated gas phase transport of Carbon-14 at Yucca Mountain, Nevada. Three models were established to calculate travel time of Carbon-14 from the potential repository to the mountain surface: a geochemical model for retardation factors, a coupled gas-flow and heat transfer model for temperature and gas flow fields, and a particle tracker for travel time calculation. The simulations used three parallel, east-west cross-sections that were taken from the Sandia National Laboratories Interactive Graphics Information System (IGIS). Assuming that the repository is filled with 30- year-old waste at an initial areal power density of 57 kw/acre, we found that repository temperatures remain above 60??C for more than 10,000 years. For a tuff permeability of 10-7 cm2, Carbon-14 travel times to the surface are mostly less than 1,000 years, for particles starting at any time within the first 10,000 years. If the tuff permeability is 10-8 cm2, however, Carbon- 14 travel times to the surface range from 3,000 to 12,000 years, for particle starting within the 10,000 years.

Modeling soil moisture processes and recharge under a melting snowpack

USGS Publications Warehouse

Flint, A.L.; Flint, L.E.; Dettinger, M.D.

2008-01-01

Recharge into granitic bedrock under a melting snowpack is being investigated as part of a study designed to understand hydrologic processes involving snow at Yosemite National Park in the Sierra Nevada Mountains of California. Snowpack measurements, accompanied by water content and matric potential measurements of the soil under the snowpack, allowed for estimates of infiltration into the soil during snowmelt and percolation into the bedrock. During portions of the snowmelt period, infiltration rates into the soil exceeded the permeability of the bedrock and caused ponding to be sustained at the soil-bedrock interface. During a 5-d period with little measured snowmelt, drainage of the ponded water into the underlying fractured granitic bedrock was estimated to be 1.6 cm d?1, which is used as an estimate of bedrock permeability. The numerical simulator TOUGH2 was used to reproduce the field data and evaluate the potential for vertical flow into the fractured bedrock or lateral flow at the bedrock-soil interface. During most of the snowmelt season, the snowmelt rates were near or below the bedrock permeability. The field data and model results support the notion that snowmelt on the shallow soil overlying low permeability bedrock becomes direct infiltration unless the snowmelt rate greatly exceeds the bedrock permeability. Late in the season, melt rates are double that of the bedrock permeability (although only for a few days) and may tend to move laterally at the soil-bedrock interface downgradient and contribute directly to streamflow. ?? Soil Science Society of America.

Interpretation of hydraulic tests performed at a carbonate rock site for CO2 storage

NASA Astrophysics Data System (ADS)

María Gómez Castro, Berta; Fernández López, Sheila; Carrera, Jesús; de Simone, Silvia; Martínez, Lurdes; Roetting, Tobias; Soler, Joaquim; Ortiz, Gema; de Dios, Carlos; Huber, Christophe

2014-05-01

Interpretation of hydraulic tests performed at a carbonate rock site for CO2 storage Berta Gómez, Sheila Fernández, Tobias Roetting, Lurdes Martínez, Silvia de Simone, Joaquim Soler, Jesus Carrera, Gema Ortiz, Christophe Huber, Carlos de Dios Proper design of CO2 geological storage facilities requires knowledge of the reservoir hydraulic parameters. Specifically, permeability controls the flux of CO2, the rate at which it dissolves, local and regional pressure buildup and the likelihood of induced seismicity. Permeability is obtained from hydraulic tests, which may yield local permeability, which controls injectivity, and large scale permeability, which controls pressure buildup at the large scale. If pressure response measurements are obtained at different elevations, hydraulic tests may also yield vertical permeability, which controls the rate at which CO2 dissolves. The objective of this work is to discuss the interpretation of hydraulic tests at deep reservoirs and the conditions under which these permeabilities can be obtained. To achieve this objective, we have built a radially symmetric model, including a skin and radial as well as vertical heterogeneity. We use this model to simulate hydraulic tests with increasing degrees of complexity about the medium response. We start by assuming Darcy flow, then add coupled mechanical effects (fractures opening) and, finally, we add thermal effects. We discuss how these affect the conventional interpretation of the tests and how to identify their presence. We apply these findings to the interpretation of hydraulic tests at Hontomin.

Experiments and modeling of variably permeable carbonate reservoir samples in contact with CO₂-acidified brines

DOE PAGES

Smith, Megan M.; Hao, Yue; Mason, Harris E.; ...

2014-12-31

Reactive experiments were performed to expose sample cores from the Arbuckle carbonate reservoir to CO₂-acidified brine under reservoir temperature and pressure conditions. The samples consisted of dolomite with varying quantities of calcite and silica/chert. The timescales of monitored pressure decline across each sample in response to CO₂ exposure, as well as the amount of and nature of dissolution features, varied widely among these three experiments. For all samples cores, the experimentally measured initial permeability was at least one order of magnitude or more lower than the values estimated from downhole methods. Nondestructive X-ray computed tomography (XRCT) imaging revealed dissolution featuresmore » including “wormholes,” removal of fracture-filling crystals, and widening of pre-existing pore spaces. In the injection zone sample, multiple fractures may have contributed to the high initial permeability of this core and restricted the distribution of CO₂-induced mineral dissolution. In contrast, the pre-existing porosity of the baffle zone sample was much lower and less connected, leading to a lower initial permeability and contributing to the development of a single dissolution channel. While calcite may make up only a small percentage of the overall sample composition, its location and the effects of its dissolution have an outsized effect on permeability responses to CO₂ exposure. The XRCT data presented here are informative for building the model domain for numerical simulations of these experiments but require calibration by higher resolution means to confidently evaluate different porosity-permeability relationships.« 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.

Computation of fluid flow and pore-space properties estimation on micro-CT images of rock samples

NASA Astrophysics Data System (ADS)

Starnoni, M.; Pokrajac, D.; Neilson, J. E.

2017-09-01

Accurate determination of the petrophysical properties of rocks, namely REV, mean pore and grain size and absolute permeability, is essential for a broad range of engineering applications. Here, the petrophysical properties of rocks are calculated using an integrated approach comprising image processing, statistical correlation and numerical simulations. The Stokes equations of creeping flow for incompressible fluids are solved using the Finite-Volume SIMPLE algorithm. Simulations are then carried out on three-dimensional digital images obtained from micro-CT scanning of two rock formations: one sandstone and one carbonate. Permeability is predicted from the computed flow field using Darcy's law. It is shown that REV, REA and mean pore and grain size are effectively estimated using the two-point spatial correlation function. Homogeneity and anisotropy are also evaluated using the same statistical tools. A comparison of different absolute permeability estimates is also presented, revealing a good agreement between the numerical value and the experimentally determined one for the carbonate sample, but a large discrepancy for the sandstone. Finally, a new convergence criterion for the SIMPLE algorithm, and more generally for the family of pressure-correction methods, is presented. This criterion is based on satisfaction of bulk momentum balance, which makes it particularly useful for pore-scale modelling of reservoir rocks.

Identifying fracture‐zone geometry using simulated annealing and hydraulic‐connection data

USGS Publications Warehouse

Day-Lewis, Frederick D.; Hsieh, Paul A.; Gorelick, Steven M.

2000-01-01

A new approach is presented to condition geostatistical simulation of high‐permeability zones in fractured rock to hydraulic‐connection data. A simulated‐annealing algorithm generates three‐dimensional (3‐D) realizations conditioned to borehole data, inferred hydraulic connections between packer‐isolated borehole intervals, and an indicator (fracture zone or background‐K bedrock) variogram model of spatial variability. We apply the method to data from the U.S. Geological Survey Mirror Lake Site in New Hampshire, where connected high‐permeability fracture zones exert a strong control on fluid flow at the hundred‐meter scale. Single‐well hydraulic‐packer tests indicate where permeable fracture zones intersect boreholes, and multiple‐well pumping tests indicate the degree of hydraulic connection between boreholes. Borehole intervals connected by a fracture zone exhibit similar hydraulic responses, whereas intervals not connected by a fracture zone exhibit different responses. Our approach yields valuable insights into the 3‐D geometry of fracture zones at Mirror Lake. Statistical analysis of the realizations yields maps of the probabilities of intersecting specific fracture zones with additional wells. Inverse flow modeling based on the assumption of equivalent porous media is used to estimate hydraulic conductivity and specific storage and to identify those fracture‐zone geometries that are consistent with hydraulic test data.

Analysis of bacterial diversity in two oil blocks from two low-permeability reservoirs with high salinities.

PubMed

Xiao, Meng; Sun, Shan-Shan; Zhang, Zhong-Zhi; Wang, Jun-Ming; Qiu, Long-Wei; Sun, Hua-Yang; Song, Zhao-Zheng; Zhang, Bei-Yu; Gao, De-Li; Zhang, Guang-Qing; Wu, Wei-Min

2016-01-20

The community diversities of two oil reservoirs with low permeability of 1.81 × 10(-3) and 2.29 × 10(-3) μm(2) in Changqing, China, were investigated using a high throughput sequencing technique to analyze the influence of biostimulation with a nutrient activator on the bacterial communities. These two blocks differed significantly in salinity (average 17,500 vs 40,900 mg/L). A core simulation test was used to evaluate the effectiveness of indigenous microbial-enhanced oil recovery (MEOR). The results indicated that in the two high salinity oil reservoirs, one reservoir having relatively lower salinity level and a narrow salinity range had higher bacterial and phylogenetic diversity. The addition of the nutrient activator increased the diversity of the bacterial community structure and the diversity differences between the two blocks. The results of the core simulation test showed that the bacterial community in the reservoir with a salinity level of 17,500 mg/L did not show significant higher MEOR efficiency compared with the reservoir with 40,900 mg/L i.e. MEOR efficiency of 8.12% vs 6.56% (test p = 0.291 > 0.05). Therefore, salinity levels affected the bacterial diversities in the two low permeability oil blocks remarkably. But the influence of salinity for the MEOR recovery was slightly.

Simulation of solute transport across low-permeability barrier walls

USGS Publications Warehouse

Harte, P.T.; Konikow, Leonard F.; Hornberger, G.Z.

2006-01-01

Low-permeability, non-reactive barrier walls are often used to contain contaminants in an aquifer. Rates of solute transport through such barriers are typically many orders of magnitude slower than rates through the aquifer. Nevertheless, the success of remedial actions may be sensitive to these low rates of transport. Two numerical simulation methods for representing low-permeability barriers in a finite-difference groundwater-flow and transport model were tested. In the first method, the hydraulic properties of the barrier were represented directly on grid cells and in the second method, the intercell hydraulic-conductance values were adjusted to approximate the reduction in horizontal flow, allowing use of a coarser and computationally efficient grid. The alternative methods were tested and evaluated on the basis of hypothetical test problems and a field case involving tetrachloroethylene (PCE) contamination at a Superfund site in New Hampshire. For all cases, advective transport across the barrier was negligible, but preexisting numerical approaches to calculate dispersion yielded dispersive fluxes that were greater than expected. A transport model (MODFLOW-GWT) was modified to (1) allow different dispersive and diffusive properties to be assigned to the barrier than the adjacent aquifer and (2) more accurately calculate dispersion from concentration gradients and solute fluxes near barriers. The new approach yields reasonable and accurate concentrations for the test cases. ?? 2006.

Numerical Simulation of Permeability Change in Wellbore Cement Fractures after Geomechanical Stress and Geochemical Reactions Using X-ray Computed Tomography Imaging

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

Kabilan, Senthil; Jung, Hun Bok; Kuprat, Andrew P.

X-ray microtomography (XMT) imaging combined with a three-dimensional (3D) computational fluid dynamics (CFD) modeling technique was used to study the effect of geochemical and geomechanical processes on fracture properties in composite Portland cement–basalt caprock core samples. The effect of fluid properties and flow conditions on fracture permeability was numerically studied by using fluids with varying physical properties and simulating different pressure conditions. CFD revealed that the application of geomechanical stress led to increased fluid flow, which resulted in increased fracture permeability. After CO2-reaction, XMT images displayed preferential precipitation of calcium carbonate within the fractures in the cement matrix and lessmore » precipitation in fractures located at the cement–basalt interface. CFD predicted changes in flow characteristics and differences in absolute values of flow properties due to different pressure gradients. CFD was able to highlight the profound effect of fluid properties on flow characteristics and hydraulic properties of fractures. This study demonstrates the applicability of XMT imaging and CFD as powerful tools for characterizing the hydraulic properties of fractures in a number of applications like geologic carbon sequestration and storage, hydraulic fracturing for shale gas production, and enhanced geothermal systems.« less

Numerical modeling of flow and transport in the far-field of a generic nuclear waste repository in fractured crystalline rock using updated fracture continuum model

NASA Astrophysics Data System (ADS)

Hadgu, T.; Kalinina, E.; Klise, K. A.; Wang, Y.

2016-12-01

Disposal of high-level radioactive waste in a deep geological repository in crystalline host rock is one of the potential options for long term isolation. Characterization of the natural barrier system is an important component of the disposal option. In this study we present numerical modeling of flow and transport in fractured crystalline rock using an updated fracture continuum model (FCM). The FCM is a stochastic method that maps the permeability of discrete fractures onto a regular grid. The original method by McKenna and Reeves (2005) has been updated to provide capabilities that enhance representation of fractured rock. As reported in Hadgu et al. (2015) the method was first modified to include fully three-dimensional representations of anisotropic permeability, multiple independent fracture sets, and arbitrary fracture dips and orientations, and spatial correlation. More recently the FCM has been extended to include three different methods. (1) The Sequential Gaussian Simulation (SGSIM) method uses spatial correlation to generate fractures and define their properties for FCM (2) The ELLIPSIM method randomly generates a specified number of ellipses with properties defined by probability distributions. Each ellipse represents a single fracture. (3) Direct conversion of discrete fracture network (DFN) output. Test simulations were conducted to simulate flow and transport using ELLIPSIM and direct conversion of DFN methods. The simulations used a 1 km x 1km x 1km model domain and a structured with grid block of size of 10 m x 10m x 10m, resulting in a total of 106 grid blocks. Distributions of fracture parameters were used to generate a selected number of realizations. For each realization, the different methods were applied to generate representative permeability fields. The PFLOTRAN (Hammond et al., 2014) code was used to simulate flow and transport in the domain. Simulation results and analysis are presented. The results indicate that the FCM approach is a viable method to model fractured crystalline rocks. The FCM is a computationally efficient way to generate realistic representation of complex fracture systems. This approach is of interest for nuclear waste disposal models applied over large domains. SAND2016-7509 A

Investigating the influence of DNAPL spill characteristics on source zone architecture and mass removal in pool-dominated source zones

NASA Astrophysics Data System (ADS)

Wallace, K. A.; Abriola, L.; Chen, M.; Ramsburg, A.; Pennell, K. D.; Christ, J.

2009-12-01

Multiphase, compositional simulators were employed to investigate the spill characteristics and subsurface properties that lead to pool-dominated, dense non-aqueous phase liquid (DNAPL) source zone architectures. DNAPL pools commonly form at textural interfaces where low permeability lenses restrict the vertical migration of DNAPL, allowing for DNAPL to accumulate, reaching high saturation. Significant pooling has been observed in bench-scale experiments and field settings. However, commonly employed numerical simulations rarely predict the pooling suspected in the field. Given the importance of pooling on the efficacy of mass recovery and the down-gradient contaminant signal, it is important to understand the predominant factors affecting the creation of pool-dominated source zones and their subsequent mass discharge. In this work, contaminant properties, spill characteristics and subsurface permeability were varied to investigate the factors contributing to the development of a pool-dominated source zone. DNAPL infiltration and entrapment simulations were conducted in two- and three-dimensional domains using the University of Texas Chemical Compositional (UTCHEM) simulator. A modified version of MT3DMS was then used to simulate DNAPL dissolution and mass discharge. Numerical mesh size was varied to investigate the importance of numerical model parameters on simulations results. The temporal evolution of commonly employed source zone architecture metrics, such as the maximum DNAPL saturation, first and second spatial moments, and fraction of DNAPL mass located in pools, was monitored to determine how the source zone architecture evolved with time. Mass discharge was monitored to identify the link between source zone architecture and down-gradient contaminant flux. Contaminant characteristics and the presence of extensive low permeability lenses appeared to have the most influence on the development of a pool-dominated source zone. The link between DNAPL mass recovery and contaminant mass discharge was significantly influenced by the fraction of mass residing in DNAPL pools. The greater the fraction of mass residing in DNAPL pools the greater the likelihood for significant reductions in contaminant mass discharge at modest levels of mass removal. These results will help guide numerical and experimental studies on the remediation of pool-dominated source zones and will likely guide future source zone characterization efforts.

Silver ions increase plasma membrane permeability through modulation of intracellular calcium levels in tobacco BY-2 cells.

PubMed

Klíma, Petr; Laňková, Martina; Vandenbussche, Filip; Van Der Straeten, Dominique; Petrášek, Jan

2018-05-01

Silver ions increase plasma membrane permeability for water and small organic compounds through their stimulatory effect on plasma membrane calcium channels, with subsequent modulation of intracellular calcium levels and ion homeostasis. The action of silver ions at the plant plasma membrane is largely connected with the inhibition of ethylene signalling thanks to the ability of silver ion to replace the copper cofactor in the ethylene receptor. A link coupling the action of silver ions and cellular auxin efflux has been suggested earlier by their possible direct interaction with auxin efflux carriers or by influencing plasma membrane permeability. Using tobacco BY-2 cells, we demonstrate here that besides a dramatic increase of efflux of synthetic auxins 2,4-dichlorophenoxyacetic acid (2,4-D) and 1-naphthalene acetic acid (NAA), treatment with AgNO 3 resulted in enhanced efflux of the cytokinin trans-zeatin (tZ) as well as the auxin structural analogues tryptophan (Trp) and benzoic acid (BA). The application of AgNO 3 was accompanied by gradual water loss and plasmolysis. The observed effects were dependent on the availability of extracellular calcium ions (Ca 2+ ) as shown by comparison of transport assays in Ca 2+ -rich and Ca 2+ -free buffers and upon treatment with inhibitors of plasma membrane Ca 2+ -permeable channels Al 3+ and ruthenium red, both abolishing the effect of AgNO 3 . Confocal microscopy of Ca 2+ -sensitive fluorescence indicator Fluo-4FF, acetoxymethyl (AM) ester suggested that the extracellular Ca 2+ availability is necessary to trigger the response to silver ions and that the intracellular Ca 2+ pool alone is not sufficient for this effect. Altogether, our data suggest that in plant cells the effects of silver ions originate from the primal modification of the internal calcium levels, possibly by their interaction with Ca 2+ -permeable channels at the plasma membrane.

Oxygen transport through soft contact lens and cornea: Lens characterization and metabolic modeling

NASA Astrophysics Data System (ADS)

Chhabra, Mahendra

The human cornea requires oxygen to sustain metabolic processes critical for its normal functioning. Any restriction to corneal oxygen supply from the external environment (e.g., by wearing a low oxygen-permeability contact lens) can lead to hypoxia, which may cause corneal edema (swelling), limbal hyperemia, neovascularization, and corneal acidosis. The need for adequate oxygen to the cornea is a major driving force for research and development of hypertransmissible soft contact lenses (SCLs). Currently, there is no standard technique for measuring oxygen permeability (Dk) of hypertransmissible silicone-hydrogel SCLs. In this work, an electrochemistry-based polarographic apparatus was designed, built, and operated to measure oxygen permeability in hypertransmissible SCLs. Unlike conventional methods where a range of lens thickness is needed for determining oxygen permeabilities of SCLs, this apparatus requires only a single lens thickness. The single-lens permeameter provides a reliable, efficient, and economic tool for measuring oxygen permeabilities of commercial hypertransmissible SCLs. The single-lens permeameter measures not only the product Dk, but, following modification, it measures separately diffusivity, D, and solubility, k, of oxygen in hypertransmissible SCLs. These properties are critical for designing better lens materials that ensure sufficient oxygen supply to the cornea. Metabolism of oxygen in the cornea is influenced by contact-lens-induced hypoxia, diseases such as diabetes, surgery, and drug treatment, Thus, estimation of the in-vivo corneal oxygen consumption rate is essential for gauging adequate oxygen supply to the cornea. Therefore, we have developed an unsteady-state reactive-diffusion model for the cornea-contact-lens system to determine in-vivo human corneal oxygen-consumption rate. Finally, a metabolic model was developed to determine the relation between contact-lens oxygen transmissibility (Dk/L) and corneal oxygen deficiency. A new parameter "Oxygen Deficiency Factor" (ODF) is defined to quantify oxygen deficiency in local regions of the cornea. We use this concept to determine the minimum required contact-lens oxygen transmissibility, Dk/L = 150 Barrer/cm, to avoid hypoxia-induced corneal physiologic complications.

Analysis of permeability and morphology of root canal dentin after Er,Cr:YSGG laser irradiation.

PubMed

Silva, Anna Cristina Biella; Guglielmi, Camila; Meneguzzo, Daiane Thais; Aranha, Ana Cecília Corrêa; Bombana, Antônio Carlos; de Paula Eduardo, Carlos

2010-02-01

The aim of this study was to evaluate the morphology and permeability of root canal walls irradiated with Er,Cr:YSGG laser after conventional endodontic treatment. Laser irradiation can be used for dentinal tubule exposure, smear layer removal, and disinfection. Another potential, interesting application is as an adjunct to endodontic treatment, especially in the intracanal medication phase. Fifty-two single-rooted teeth had their crowns sectioned at the cementoenamel junction and were randomly divided into four groups (n = 13): G1: conventional preparation (CP) + irrigation with EDTA-T + rhodamine B dye solution associated with NDP (dexamethasone phosphate, paramonochlorophenol, polyethylenoglycol) (Rhod-NDP); G2: CP + EDTA-T + Er,Cr:YSGG laser irradiation 0.75 W + Rhod-NDP; G3: CP + EDTA-T + Er,Cr:YSGG 1.5 W + Rhod-NDP; G4: CP + EDTA-T + Er,Cr:YSGG 2.5 W + Rhod-NDP. For the permeability analysis (n = 9), teeth were transversely cut and two slices of each third were selected. The images were analyzed by ImageLab software (Softium Informática Ltda., São Paulo, SP, Brazil). Additional samples (n = 4) were examined by scanning electron microscopy. Data were analyzed statistically using the Kruskal-Wallis and Student-Newman-Keuls tests for the following areas: apical third (H = 23.4651): G1 (14.25)(a), G2 (17.66)(ab), G3 (26.50)(b), G4 (39.58)(c); medium (H = 23.1611): G1 (14.16)(a), G2 (16.66)(ab), G3 (28.83)(b), G4 (38.33)(b); and cervical (H = 32.4810): G1 (9.66)(a), G2 (20. 00)(ab), G3 (27.00)(b), G4 (41.33)(c), (p < 0.01). Despite the irregular aspect of laser irradiation along the canal walls, the parameters of 1.5 W and 2.5 W allowed morphologic modifications that increased dentinal permeability. Irradiation with Er,Cr:YSGG laser could be effective in endodontic treatment for increasing dentinal permeability.

IkappaB is a sensitive target for oxidation by cell-permeable chloramines: inhibition of NF-kappaB activity by glycine chloramine through methionine oxidation.

PubMed

Midwinter, Robyn G; Cheah, Fook-Choe; Moskovitz, Jackob; Vissers, Margret C; Winterbourn, Christine C

2006-05-15

Hypochlorous acid (HOCl) is produced by the neutrophil enzyme, myeloperoxidase, and reacts with amines to generate chloramines. These oxidants react readily with thiols and methionine and can affect cell-regulatory pathways. In the present study, we have investigated the ability of HOCl, glycine chloramine (Gly-Cl) and taurine chloramine (Tau-Cl) to oxidize IkappaBalpha, the inhibitor of NF-kappaB (nuclear factor kappaB), and to prevent activation of the NF-kappaB pathway in Jurkat cells. Glycine chloramine (Gly-Cl) and HOCl were permeable to the cells as determined by oxidation of intracellular GSH and inactivation of glyceraldehyde-3-phosphate dehydrogenase, whereas Tau-Cl showed no detectable cell permeability. Both Gly-Cl (20-200 muM) and HOCl (50 microM) caused oxidation of IkappaBalpha methionine, measured by a shift in electrophoretic mobility, when added to the cells in Hanks buffer. In contrast, a high concentration of Tau-Cl (1 mM) in Hanks buffer had no effect. However, Tau-Cl in full medium did modify IkappaBalpha. This we attribute to chlorine exchange with other amines in the medium to form more permeable chloramines. Oxidation by Gly-Cl prevented IkappaBalpha degradation in cells treated with TNFalpha (tumour necrosis factor alpha) and inhibited nuclear translocation of NF-kappaB. IkappaBalpha modification was reversed by methionine sulphoxide reductase, with both A and B forms required for complete reduction. Oxidized IkappaBalpha persisted intracellularly for up to 6 h. Reversion occurred in the presence of cycloheximide, but was prevented if thioredoxin reductase was inhibited, suggesting that it was due to endogenous methionine sulphoxide reductase activity. These results show that cell-permeable chloramines, either directly or when formed in medium, could regulate NF-kappaB activation via reversible IkappaBalpha oxidation.

Illusion media: Generating virtual objects using realizable metamaterials

NASA Astrophysics Data System (ADS)

Jiang, Wei Xiang; Ma, Hui Feng; Cheng, Qiang; Cui, Tie Jun

2010-03-01

We propose a class of optical transformation media, illusion media, which render the enclosed object invisible and generate one or more virtual objects as desired. We apply the proposed media to design a microwave device, which transforms an actual object into two virtual objects. Such an illusion device exhibits unusual electromagnetic behavior as verified by full-wave simulations. Different from the published illusion devices which are composed of left-handed materials with simultaneously negative permittivity and permeability, the proposed illusion media have finite and positive permittivity and permeability. Hence the designed device could be realizable using artificial metamaterials.

Numerical modeling of fracking fluid migration through fault zones and fractures in the North German Basin

NASA Astrophysics Data System (ADS)

Pfunt, Helena; Houben, Georg; Himmelsbach, Thomas

2016-09-01

Gas production from shale formations by hydraulic fracturing has raised concerns about the effects on the quality of fresh groundwater. The migration of injected fracking fluids towards the surface was investigated in the North German Basin, based on the known standard lithology. This included cases with natural preferential pathways such as permeable fault zones and fracture networks. Conservative assumptions were applied in the simulation of flow and mass transport triggered by a high pressure boundary of up to 50 MPa excess pressure. The results show no significant fluid migration for a case with undisturbed cap rocks and a maximum of 41 m vertical transport within a permeable fault zone during the pressurization. Open fractures, if present, strongly control the flow field and migration; here vertical transport of fracking fluids reaches up to 200 m during hydraulic fracturing simulation. Long-term transport of the injected water was simulated for 300 years. The fracking fluid rises vertically within the fault zone up to 485 m due to buoyancy. Progressively, it is transported horizontally into sandstone layers, following the natural groundwater flow direction. In the long-term, the injected fluids are diluted to minor concentrations. Despite the presence of permeable pathways, the injected fracking fluids in the reported model did not reach near-surface aquifers, either during the hydraulic fracturing or in the long term. Therefore, the probability of impacts on shallow groundwater by the rise of fracking fluids from a deep shale-gas formation through the geological underground to the surface is small.

Development of Overpressures at Nankai Accretionary Prism, Ocean Drilling Program Sites 1173 and 1174

NASA Astrophysics Data System (ADS)

Gamage, K.; Screaton, E.

2003-12-01

In this study, we used a one-dimensional model of sedimentation, initial prism loading, and fluid flow to examine the development of overpressures at the toe of the Nankai accretionary complex. A permeability-porosity relationship was established for hemipelagic sediments from laboratory measured permeabilities as an input to the model. Vertical permeabilities were measured for 10 core samples from the Ocean Drilling Program (ODP) Leg 190, Sites 1173 and 1174, from the upper and lower Shikoku Basin facies. Both sites were drilled along the Muroto Transect through the dècollement zone or its equivalent. Site 1173 is located 11 km seaward of the deformation front and it represents the undeformed incoming sediments, where as Site 1174 represents sediments within the proto-thrust zone. Although turbidite-rich sediments dominate the Nankai accretionary prism, the dècollement and underthrust sediments are primarily composed of hemipelagic muds. Using the permeability-porosity relationship, our modeling results indicate excess pore pressures that are greater than 30% of lithostatic pressure at the toe of the prism at a convergence rate of 4cm/yr. These values are slightly lower than previously inferred excess pore pressures estimated from porosity data. Additional runs were conducted to simulate a 10-m thick low permeability barrier at the dècollement where vertical fluid flow is restricted. The low permeability barrier required a permeability less than 1 x 10-19 m2 to generate excess pore pressures greater than 50% of lithostatic pressure. Modeling was further extended to test the significance of variable prism loading rates due to uncertainties in the convergence rate and affects of lateral stress above the dècollement.

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.

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.

Seismic and aseismic deformations and impact on reservoir permeability: The case of EGS stimulation at The Geysers, California, USA

DOE PAGES

Jeanne, Pierre; Rutqvist, Jonny; Rinaldi, Antonio Pio; ...

2015-10-27

In this paper, we use the Seismicity-Based Reservoir Characterization approach to study the spatiotemporal dynamics of an injection-induced microseismic cloud, monitored during the stimulation of an enhanced geothermal system, and associated with the Northwest Geysers Enhanced Geothermal System (EGS) Demonstration project (California). We identified the development of a seismically quiet domain around the injection well surrounded by a seismically active domain. Then we compare these observations with the results of 3-D Thermo-Hydro-Mechanical simulations of the EGS, which accounts for changes in permeability as a function of the effective normal stress and the plastic strain. The results of our modeling showmore » that the aseismic domain is caused by both the presence of the injected cold water and by thermal processes. These thermal processes cause a cooling-stress reduction, which prevent shear reactivation and favors fracture opening by reducing effective normal stress and locally increasing the permeability. This process is accompanied by aseismic plastic shear strain. In the seismic domain, microseismicity is caused by the reactivation of the preexisting fractures, resulting from an increase in injection-induced pore pressure. Our modeling indicates that in this domain, permeability evolves according to the effective normal stress acting on the shear zones, whereas shearing of preexisting fractures may have a low impact on permeability. We attribute this lack of permeability gain to the fact that the initial permeabilities of these preexisting fractures are already high (up to 2 orders of magnitude higher than the host rock) and may already be fully dilated by past tectonic straining.« less

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.

Seismic and aseismic deformations and impact on reservoir permeability: The case of EGS stimulation at The Geysers, California, USA

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

Jeanne, Pierre; Rutqvist, Jonny; Rinaldi, Antonio Pio

In this paper, we use the Seismicity-Based Reservoir Characterization approach to study the spatiotemporal dynamics of an injection-induced microseismic cloud, monitored during the stimulation of an enhanced geothermal system, and associated with the Northwest Geysers Enhanced Geothermal System (EGS) Demonstration project (California). We identified the development of a seismically quiet domain around the injection well surrounded by a seismically active domain. Then we compare these observations with the results of 3-D Thermo-Hydro-Mechanical simulations of the EGS, which accounts for changes in permeability as a function of the effective normal stress and the plastic strain. The results of our modeling showmore » that the aseismic domain is caused by both the presence of the injected cold water and by thermal processes. These thermal processes cause a cooling-stress reduction, which prevent shear reactivation and favors fracture opening by reducing effective normal stress and locally increasing the permeability. This process is accompanied by aseismic plastic shear strain. In the seismic domain, microseismicity is caused by the reactivation of the preexisting fractures, resulting from an increase in injection-induced pore pressure. Our modeling indicates that in this domain, permeability evolves according to the effective normal stress acting on the shear zones, whereas shearing of preexisting fractures may have a low impact on permeability. We attribute this lack of permeability gain to the fact that the initial permeabilities of these preexisting fractures are already high (up to 2 orders of magnitude higher than the host rock) and may already be fully dilated by past tectonic straining.« less

Using ant-behavior-based simulation model AntWeb to improve website organization

NASA Astrophysics Data System (ADS)

Li, Weigang; Pinheiro Dib, Marcos V.; Teles, Wesley M.; Morais de Andrade, Vlaudemir; Alves de Melo, Alba C. M.; Cariolano, Judas T.

2002-03-01

Some web usage mining algorithms showed the potential application to find the difference among the organizations expected by visitors to the website. However, there are still no efficient method and criterion for a web administrator to measure the performance of the modification. In this paper, we developed an AntWeb, a model inspired by ants' behavior to simulate the sequence of visiting the website, in order to measure the efficient of the web structure. We implemented a web usage mining algorithm using backtrack to the intranet website of the Politec Informatic Ltd., Brazil. We defined throughput (the number of visitors to reach their target pages per time unit relates to the total number of visitors) as an index to measure the website's performance. We also used the link in a web page to represent the effect of visitors' pheromone trails. For every modification in the website organization, for example, putting a link from the expected location to the target object, the simulation reported the value of throughput as a quick answer about this modification. The experiment showed the stability of our simulation model, and a positive modification to the intranet website of the Politec.

SiC JFET Transistor Circuit Model for Extreme Temperature Range

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.

2008-01-01

A technique for simulating extreme-temperature operation of integrated circuits that incorporate silicon carbide (SiC) junction field-effect transistors (JFETs) has been developed. The technique involves modification of NGSPICE, which is an open-source version of the popular Simulation Program with Integrated Circuit Emphasis (SPICE) general-purpose analog-integrated-circuit-simulating software. NGSPICE in its unmodified form is used for simulating and designing circuits made from silicon-based transistors that operate at or near room temperature. Two rapid modifications of NGSPICE source code enable SiC JFETs to be simulated to 500 C using the well-known Level 1 model for silicon metal oxide semiconductor field-effect transistors (MOSFETs). First, the default value of the MOSFET surface potential must be changed. In the unmodified source code, this parameter has a value of 0.6, which corresponds to slightly more than half the bandgap of silicon. In NGSPICE modified to simulate SiC JFETs, this parameter is changed to a value of 1.6, corresponding to slightly more than half the bandgap of SiC. The second modification consists of changing the temperature dependence of MOSFET transconductance and saturation parameters. The unmodified NGSPICE source code implements a T(sup -1.5) temperature dependence for these parameters. In order to mimic the temperature behavior of experimental SiC JFETs, a T(sup -1.3) temperature dependence must be implemented in the NGSPICE source code. Following these two simple modifications, the Level 1 MOSFET model of the NGSPICE circuit simulation program reasonably approximates the measured high-temperature behavior of experimental SiC JFETs properly operated with zero or reverse bias applied to the gate terminal. Modification of additional silicon parameters in the NGSPICE source code was not necessary to model experimental SiC JFET current-voltage performance across the entire temperature range from 25 to 500 C.

Chemical treatment of the intra-canal dentin surface: a new approach to modify dentin hydrophobicity

PubMed Central

GAITAN-FONSECA, Cesar; COLLART-DUTILLEUL, Pierre-Yves; SEMETEY, Vincent; ROMIEU, Olivier; CRUZ, Roel; FLORES, Hector; CUISINIER, Frédéric; PÉREZ, Elías; POZOS-GUILLEN, Amaury

2013-01-01

Objective: This study evaluated the hydrophobicity of dentin surfaces that were modified through chemical silanization with octadecyltrichlorosilane (OTS). Material and Methods: An in vitro experimental study was performed using 40 human permanent incisors that were divided into the following two groups: non-silanized and silanized. The specimens were pretreated and chemically modified with OTS. After the chemical modification, the dentin hydrophobicity was examined using a water contact angle measurement (WCA). The effectiveness of the modification of hydrophobicity was verified by the fluid permeability test (FPT). Results and Conclusions: Statistically significant differences were found in the values of WCA and FPT between the two groups. After silanization, the hydrophobic intraradicular dentin surface exhibited in vitro properties that limit fluid penetration into the sealed root canal. This chemical treatment is a new approach for improving the sealing of the root canal system. PMID:23559114

14 CFR 60.23 - Modifications to FSTDs.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 14 Aeronautics and Space 2 2011-01-01 2011-01-01 false Modifications to FSTDs. 60.23 Section 60.23 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIRMEN FLIGHT SIMULATION TRAINING DEVICE INITIAL AND CONTINUING QUALIFICATION AND USE § 60.23 Modifications to FSTDs. (a...

14 CFR 60.23 - Modifications to FSTDs.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 14 Aeronautics and Space 2 2012-01-01 2012-01-01 false Modifications to FSTDs. 60.23 Section 60.23 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIRMEN FLIGHT SIMULATION TRAINING DEVICE INITIAL AND CONTINUING QUALIFICATION AND USE § 60.23 Modifications to FSTDs. (a...

14 CFR 60.23 - Modifications to FSTDs.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 14 Aeronautics and Space 2 2014-01-01 2014-01-01 false Modifications to FSTDs. 60.23 Section 60.23 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIRMEN FLIGHT SIMULATION TRAINING DEVICE INITIAL AND CONTINUING QUALIFICATION AND USE § 60.23 Modifications to FSTDs. (a...

14 CFR 60.23 - Modifications to FSTDs.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 14 Aeronautics and Space 2 2013-01-01 2013-01-01 false Modifications to FSTDs. 60.23 Section 60.23 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIRMEN FLIGHT SIMULATION TRAINING DEVICE INITIAL AND CONTINUING QUALIFICATION AND USE § 60.23 Modifications to FSTDs. (a...