Effective pore size and radius of capture for K(+) ions in K-channels.

PubMed

Moldenhauer, Hans; Díaz-Franulic, Ignacio; González-Nilo, Fernando; Naranjo, David

2016-02-02

Reconciling protein functional data with crystal structure is arduous because rare conformations or crystallization artifacts occur. Here we present a tool to validate the dimensions of open pore structures of potassium-selective ion channels. We used freely available algorithms to calculate the molecular contour of the pore to determine the effective internal pore radius (r(E)) in several K-channel crystal structures. r(E) was operationally defined as the radius of the biggest sphere able to enter the pore from the cytosolic side. We obtained consistent r(E) estimates for MthK and Kv1.2/2.1 structures, with r(E) = 5.3-5.9 Å and r(E) = 4.5-5.2 Å, respectively. We compared these structural estimates with functional assessments of the internal mouth radii of capture (r(C)) for two electrophysiological counterparts, the large conductance calcium activated K-channel (r(C) = 2.2 Å) and the Shaker Kv-channel (r(C) = 0.8 Å), for MthK and Kv1.2/2.1 structures, respectively. Calculating the difference between r(E) and r(C), produced consistent size radii of 3.1-3.7 Å and 3.6-4.4 Å for hydrated K(+) ions. These hydrated K(+) estimates harmonize with others obtained with diverse experimental and theoretical methods. Thus, these findings validate MthK and the Kv1.2/2.1 structures as templates for open BK and Kv-channels, respectively.

Pore-throat radius and tortuosity estimation from formation resistivity data for tight-gas sandstone reservoirs

NASA Astrophysics Data System (ADS)

Ziarani, Ali S.; Aguilera, Roberto

2012-08-01

A new model is proposed for estimation of pore-throat aperture size from formation resistivity factor and permeability data. The model is validated with data from the Mesaverde sandstone using brine salinities ranging from 20,000 to 200,000 ppm. The data analyzed includes various basins such as Green River, Piceance, Sand Wash, Powder River, Uinta, Washakie and Wind River, available in the literature. For pore-throat radii analysis the methodology involves the use of log-log plots of pore-throat radius versus the product of formation resistivity factor and permeability (rT = a(FK)b + c). The model fits over 280 samples from the Mesaverde formation with coefficients of determination varying between 0.95 and 0.99 depending primarily on the type of model used for pore throat radius calculation. The brine salinity has some minor effects on the results. The model can provide better estimates of pore-throat radii if it is calibrated with experimental techniques such as mercury porosimetry. The results show pore-throat radii varying between 0.001 and 5 μm for the Mesaverde tight sandstone; however, most of the samples fall in a range between 0.01 and 1 μm. For tortuosity analysis, the calculation involves the use of product of formation factor and porosity data. Results indicate that the estimated tortuosity values range mainly between 1 and 5. For samples with lower porosities (< 5%), tortuosity values show a wider scatter (between 1 and 8); whereas for samples with larger porosities (> 15%), the scattering in tortuosity decreases significantly. In general, for tortuosity calculation in tight gas sandstone formations, a square root model with a parameter (bf) representing various types of connecting pores, i.e., sheet-like and tubular pores, is recommended.

Effective pore size and radius of capture for K+ ions in K-channels

PubMed Central

Moldenhauer, Hans; Díaz-Franulic, Ignacio; González-Nilo, Fernando; Naranjo, David

2016-01-01

Reconciling protein functional data with crystal structure is arduous because rare conformations or crystallization artifacts occur. Here we present a tool to validate the dimensions of open pore structures of potassium-selective ion channels. We used freely available algorithms to calculate the molecular contour of the pore to determine the effective internal pore radius (rE) in several K-channel crystal structures. rE was operationally defined as the radius of the biggest sphere able to enter the pore from the cytosolic side. We obtained consistent rE estimates for MthK and Kv1.2/2.1 structures, with rE = 5.3–5.9 Å and rE = 4.5–5.2 Å, respectively. We compared these structural estimates with functional assessments of the internal mouth radii of capture (rC) for two electrophysiological counterparts, the large conductance calcium activated K-channel (rC = 2.2 Å) and the Shaker Kv-channel (rC = 0.8 Å), for MthK and Kv1.2/2.1 structures, respectively. Calculating the difference between rE and rC, produced consistent size radii of 3.1–3.7 Å and 3.6–4.4 Å for hydrated K+ ions. These hydrated K+ estimates harmonize with others obtained with diverse experimental and theoretical methods. Thus, these findings validate MthK and the Kv1.2/2.1 structures as templates for open BK and Kv-channels, respectively. PMID:26831782

Developing an Effective Model for Shale Gas Flow in Nano-scale Pore Clusters based on FIB-SEM Images

NASA Astrophysics Data System (ADS)

Jiang, W. B.; Lin, M.; Yi, Z. X.; Li, H. S.

2016-12-01

Nano-scale pores existed in the form of clusters are the controlling void space in shale gas reservoir. Gas transport in nanopores which has a significant influence on shale gas' recoverability displays multiple transport regimes, including viscous, slippage flow and Knudsen diffusion. In addition, it is also influenced by pore space characteristics. For convenience and efficiency consideration, it is necessary to develop an upscaling model from nano pore to pore cluster scale. Existing models are more like framework functions that provide a format, because the parameters that represent pore space characteristics are underdetermined and may have multiple possibilities. Therefore, it is urgent to make them clear and obtained a model that is closer to reality. FIB-SEM imaging technology is able to acquire three dimensional images with nanometer resolution that nano pores can be visible. Based on the images of two shale samples, we used a high-precision pore network extraction algorithm to generate equivalent pore networks and simulate multiple regime (non-Darcy) flow in it. Several structural parameters can be obtained through pore network modelling. It is found that although the throat-radius distributions are very close, throat flux-radius distributions of different samples can be divided into two categories. The variation of tortuosity with pressure and the overall trend of throat-flux distribution changes with pressure are disclosed. A deeper understanding of shale gas flow in nano-scale pore clusters is obtained. After all, an upscaling model that connects absolute permeability, apparent permeability and other characteristic parameters is proposed, and the best parameter scheme considering throat number-radius distribution and flowing porosity for this model is selected out of three schemes based on pore scale results, and it can avoid multiple-solution problem and is useful in reservoir modelling and experiment result analysis, etc. This work is supported by the Strategic Priority Research Program of the Chinese Academy of Sciences (XDB10020302), the National Natural Science Foundation of China (41574129), the Key Instrument Developing Project of the CAS (ZDYZ2012-1-08-02), the 973 Program (2014CB239004).

Upscaling of nanoparticle transport in porous media under unfavorable conditions: Pore scale to Darcy scale

NASA Astrophysics Data System (ADS)

Seetha, N.; Raoof, Amir; Mohan Kumar, M. S.; Majid Hassanizadeh, S.

2017-05-01

Transport and deposition of nanoparticles in porous media is a multi-scale problem governed by several pore-scale processes, and hence, it is critical to link the processes at pore scale to the Darcy-scale behavior. In this study, using pore network modeling, we develop correlation equations for deposition rate coefficients for nanoparticle transport under unfavorable conditions at the Darcy scale based on pore-scale mechanisms. The upscaling tool is a multi-directional pore-network model consisting of an interconnected network of pores with variable connectivities. Correlation equations describing the pore-averaged deposition rate coefficients under unfavorable conditions in a cylindrical pore, developed in our earlier studies, are employed for each pore element. Pore-network simulations are performed for a wide range of parameter values to obtain the breakthrough curves of nanoparticle concentration. The latter is fitted with macroscopic 1-D advection-dispersion equation with a two-site linear reversible deposition accounting for both equilibrium and kinetic sorption. This leads to the estimation of three Darcy-scale deposition coefficients: distribution coefficient, kinetic rate constant, and the fraction of equilibrium sites. The correlation equations for the Darcy-scale deposition coefficients, under unfavorable conditions, are provided as a function of measurable Darcy-scale parameters, including: porosity, mean pore throat radius, mean pore water velocity, nanoparticle radius, ionic strength, dielectric constant, viscosity, temperature, and surface potentials of the particle and grain surfaces. The correlation equations are found to be consistent with the available experimental results, and in qualitative agreement with Colloid Filtration Theory for all parameters, except for the mean pore water velocity and nanoparticle radius.

Influence of pore structure on compressive strength of cement mortar.

PubMed

Zhao, Haitao; Xiao, Qi; Huang, Donghui; Zhang, Shiping

2014-01-01

This paper describes an experimental investigation into the pore structure of cement mortar using mercury porosimeter. Ordinary Portland cement, manufactured sand, and natural sand were used. The porosity of the manufactured sand mortar is higher than that of natural sand at the same mix proportion; on the contrary, the probable pore size and threshold radius of manufactured sand mortar are finer. Besides, the probable pore size and threshold radius increased with increasing water to cement ratio and sand to cement ratio. In addition, the existing models of pore size distribution of cement-based materials have been reviewed and compared with test results in this paper. Finally, the extended Bhattacharjee model was built to examine the relationship between compressive strength and pore structure.

Influence of Pore Structure on Compressive Strength of Cement Mortar

PubMed Central

Zhao, Haitao; Xiao, Qi; Huang, Donghui

2014-01-01

This paper describes an experimental investigation into the pore structure of cement mortar using mercury porosimeter. Ordinary Portland cement, manufactured sand, and natural sand were used. The porosity of the manufactured sand mortar is higher than that of natural sand at the same mix proportion; on the contrary, the probable pore size and threshold radius of manufactured sand mortar are finer. Besides, the probable pore size and threshold radius increased with increasing water to cement ratio and sand to cement ratio. In addition, the existing models of pore size distribution of cement-based materials have been reviewed and compared with test results in this paper. Finally, the extended Bhattacharjee model was built to examine the relationship between compressive strength and pore structure. PMID:24757414

Electroviscous Effects in Ceramic Nanofiltration Membranes.

PubMed

Farsi, Ali; Boffa, Vittorio; Christensen, Morten Lykkegaard

2015-11-16

Membrane permeability and salt rejection of a γ-alumina nanofiltration membrane were studied and modeled for different salt solutions. Salt rejection was predicted by using the Donnan-steric pore model, in which the extended Nernst-Planck equation was applied to predict ion transport through the pores. The solvent flux was modeled by using the Hagen-Poiseuille equation by introducing electroviscosity instead of bulk viscosity. γ-Alumina particles were used for ζ-potential measurements. The ζ-potential measurements show that monovalent ions did not adsorb on the γ-alumina surface, whereas divalent ions were highly adsorbed. Thus, for divalent ions, the model was modified, owing to pore shrinkage caused by ion adsorption. The ζ-potential lowered the membrane permeability, especially for membranes with a pore radius lower than 3 nm, a ζ-potential higher than 20 mV, and an ionic strength lower than 0.01 m. The rejection model showed that, for a pore radius lower than 3 nm and for solutions with ionic strengths lower than 0.01 m, there is an optimum ζ-potential for rejection, because of the concurrent effects of electromigration and convection. Hence, the model can be used as a prediction tool to optimize membrane perm-selectivity by designing a specific pore size and surface charge for application at specific ionic strengths and pH levels. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling of protein electrophoresis in silica colloidal crystals having brush layers of polyacrylamide

PubMed Central

Birdsall, Robert E.; Koshel, Brooke M.; Hua, Yimin; Ratnayaka, Saliya N.; Wirth, Mary J.

2013-01-01

Sieving of proteins in silica colloidal crystals of mm dimensions is characterized for particle diameters of nominally 350 and 500 nm, where the colloidal crystals are chemically modified with a brush layer of polyacrylamide. A model is developed that relates the reduced electrophoretic mobility to the experimentally measurable porosity. The model fits the data with no adjustable parameters for the case of silica colloidal crystals packed in capillaries, for which independent measurements of the pore radii were made from flow data. The model also fits the data for electrophoresis in a highly ordered colloidal crystal formed in a channel, where the unknown pore radius was used as a fitting parameter. Plate heights as small as 0.4 μm point to the potential for miniaturized separations. Band broadening increases as the pore radius approaches the protein radius, indicating that the main contribution to broadening is the spatial heterogeneity of the pore radius. The results quantitatively support the notion that sieving occurs for proteins in silica colloidal crystals, and facilitate design of new separations that would benefit from miniaturization. PMID:23229163

Product mass transfer resistance directly determined during freeze-drying cycle runs using tunable diode laser absorption spectroscopy (TDLAS) and pore diffusion model.

PubMed

Kuu, Wei Y; O'Bryan, Kevin R; Hardwick, Lisa M; Paul, Timothy W

2011-08-01

The pore diffusion model is used to express the dry layer mass transfer resistance, [Formula: see text], as a function of the ratio r(e)/?, where r(e) is the effective pore radius and ? is the tortuosity factor of the dry layer. Using this model, the effective pore radius of the dry layer can be estimated from the sublimation rate and product temperature profiles measured during primary drying. Freeze-drying cycle runs were performed using the LyoStar II dryer (FTS Systems), with real-time sublimation rate profiles during freeze drying continuously measured by tunable diode laser absorption spectroscopy (TDLAS). The formulations chosen for demonstration of the proposed approach include 5% mannitol, 5% sucrose, 5% lactose, 3% mannitol plus 2% sucrose, and a parenteral nutrition formulation denoted VitaM12. The three different methods used for determination of the product resistance are: (1) Using both the sublimation rate and product temperature profiles, (2) using the sublimation rate profile alone, and (3) using the product temperate profile alone. Unlike the second and third methods, the computation procedure of first method does not need solution of the complex heat and mass transfer equations.

A study of the effect of selected material properties on the ablation performance of artificial graphite

NASA Technical Reports Server (NTRS)

Maahs, H. G.

1972-01-01

Eighteen material properties were measured on 45 different, commercially available, artificial graphites. Ablation performance of these same graphites were also measured in a Mach 2 airstream at a stagnation pressure of 5.6 atm. Correlations were developed, where possible, between pairs of the material properties. Multiple regression equations were then formulated relating ablation performance to the various material properties, thus identifying those material properties having the strongest effect on ablation performance. These regression equations reveal that ablation performance in the present test environment depends primarily on maximum grain size, density, ash content, thermal conductivity, and mean pore radius. For optimization of ablation performance, grain size should be small, ash content low, density and thermal conductivity high, and mean pore radius large.

A macroscopic model of proton transport through the membrane-ionomer interface of a polymer electrolyte membrane fuel cell.

PubMed

Kumar, Milan; Edwards, Brian J; Paddison, Stephen J

2013-02-14

The membrane-ionomer interface is the critical interlink of the electrodes and catalyst to the polymer electrolyte membrane (PEM); together forming the membrane electrode assembly in current state-of-the-art PEM fuel cells. In this paper, proton conduction through the interface is investigated to understand its effect on the performance of a PEM fuel cell. The water containing domains at this interface were modeled as cylindrical pores/channels with the anionic groups (i.e., -SO(3)(-)) assumed to be fixed on the pore wall. The interactions of each species with all other species and an applied external field were examined. Molecular-based interaction potential energies were computed in a small test element of the pore and were scaled up in terms of macroscopic variables. Evolution equations of the density and momentum of the species (water molecules and hydronium ions) were derived within a framework of nonequilibrium thermodynamics. The resulting evolution equations for the species were solved analytically using an order-of-magnitude analysis to obtain an expression for the proton conductivity. Results show that the conductivity increases with increasing water content and pore radius, and strongly depends on the separation distance between the sulfonate groups and their distribution on the pore wall. It was also determined that the conductivity of two similar pores of different radii in series is limited by the pore with the smaller radius.

Micro X-ray CT imaging of pore-scale changes in unconsolidated sediment under confining pressure

NASA Astrophysics Data System (ADS)

Schindler, M.; Prasad, M.

2017-12-01

Micro X-ray computed tomography was used to image confining-pressure induced changes in a dry, unconsolidated quartz sand pack while simultaneously recording ultrasonic P-wave velocities. The experiments were performed under in-situ pressure of up to 4000 psi. The majority of digital rock physics studies rely on micro CT images obtained under ambient pressure and temperature conditions although effective rock properties strongly depend on in situ conditions. Goal of this work is to be able to obtain micro CT images of rock samples while pore and confining pressure is applied. Simultaneously we recorded ultrasonic P-wave velocities. The combination of imaging and velocity measurements provides insight in pore-scale changes in the rock and their influence on elastic properties. We visually observed a reduction in porosity by more than a third of the initial value as well as extensive grain damage, changes in pore and grain size distribution and an increase in contact number and contact radius with increasing confining pressure. An increase in measured ultrasonic P-wave velocities with increasing pressure was observed. We used porosity, contact number and contact radius obtained from micro CT images to model P-wave velocity with the contact-radius model by Bachrach et al. (1998). Our observations showed that the frame of unconsolidated sediments is significantly altered starting at pressures of only 1000 psi. This finding indicates that common assumptions in rock physics models (the solid frame remains unchanged) are violated for unconsolidated sediments. The effects on the solid frame should be taken into account when modeling the pressure dependence of elastic rock properties.

Modeling of Gas Production from Shale Reservoirs Considering Multiple Transport Mechanisms.

PubMed

Guo, Chaohua; Wei, Mingzhen; Liu, Hong

2015-01-01

Gas transport in unconventional shale strata is a multi-mechanism-coupling process that is different from the process observed in conventional reservoirs. In micro fractures which are inborn or induced by hydraulic stimulation, viscous flow dominates. And gas surface diffusion and gas desorption should be further considered in organic nano pores. Also, the Klinkenberg effect should be considered when dealing with the gas transport problem. In addition, following two factors can play significant roles under certain circumstances but have not received enough attention in previous models. During pressure depletion, gas viscosity will change with Knudsen number; and pore radius will increase when the adsorption gas desorbs from the pore wall. In this paper, a comprehensive mathematical model that incorporates all known mechanisms for simulating gas flow in shale strata is presented. The objective of this study was to provide a more accurate reservoir model for simulation based on the flow mechanisms in the pore scale and formation geometry. Complex mechanisms, including viscous flow, Knudsen diffusion, slip flow, and desorption, are optionally integrated into different continua in the model. Sensitivity analysis was conducted to evaluate the effect of different mechanisms on the gas production. The results showed that adsorption and gas viscosity change will have a great impact on gas production. Ignoring one of following scenarios, such as adsorption, gas permeability change, gas viscosity change, or pore radius change, will underestimate gas production.

Modeling of Gas Production from Shale Reservoirs Considering Multiple Transport Mechanisms

PubMed Central

Guo, Chaohua; Wei, Mingzhen; Liu, Hong

2015-01-01

Gas transport in unconventional shale strata is a multi-mechanism-coupling process that is different from the process observed in conventional reservoirs. In micro fractures which are inborn or induced by hydraulic stimulation, viscous flow dominates. And gas surface diffusion and gas desorption should be further considered in organic nano pores. Also, the Klinkenberg effect should be considered when dealing with the gas transport problem. In addition, following two factors can play significant roles under certain circumstances but have not received enough attention in previous models. During pressure depletion, gas viscosity will change with Knudsen number; and pore radius will increase when the adsorption gas desorbs from the pore wall. In this paper, a comprehensive mathematical model that incorporates all known mechanisms for simulating gas flow in shale strata is presented. The objective of this study was to provide a more accurate reservoir model for simulation based on the flow mechanisms in the pore scale and formation geometry. Complex mechanisms, including viscous flow, Knudsen diffusion, slip flow, and desorption, are optionally integrated into different continua in the model. Sensitivity analysis was conducted to evaluate the effect of different mechanisms on the gas production. The results showed that adsorption and gas viscosity change will have a great impact on gas production. Ignoring one of following scenarios, such as adsorption, gas permeability change, gas viscosity change, or pore radius change, will underestimate gas production. PMID:26657698

Percolation Pore Network Study on the Residue Gas Saturation of Dry Reservoir Rocks

NASA Astrophysics Data System (ADS)

Cheng, T.; Tang, Y. B.; Zou, G. Y.; Jiang, K.; Li, M.

2014-12-01

We tried to model the effect of pore size heterogeneity and pore connectivity on the residue gas saturation for dry gas reservoir rocks. If we consider that snap-off does not exist and only piston displacement takes place in all pores with the same size during imbibition process, in the extreme case, the residue gas saturation will be equal to zero. Thus we can suppose that the residue gas saturation of dry rocks is mainly controlled by the pore size distribution. To verify the assumption, percolation pore networks (i.e., three-dimensional simple cubic (SC) and body-center cubic (BCC)) were used in the study. The connectivity and the pore size distribution in percolation pore network could be changed randomly. The concept of water phase connectivity zw(i.e., water coordination number) and gas phase connectivity zg (i.e., gas coordination number) was introduced here. zw and zg will change during simulation and can be estimated numerically from the results of simulations through gradually saturated networks by water. The Simulation results show that when zg less than or equal to 1.5 during water quasi - static imbibition, the gas will be trapped in rock pores. Network simulation results also shows that the residue gas saturation Srg follows a power law relationship (i.e.,Srg∝σrα, where σr is normalized standard deviation of the pore radius distribution, and exponent α is a function of coordination number). This indicates that the residue gas saturation has no explicit relationship with porosity and permeability as it should have in light of previous study, pore radius distribution is the principal factor in determining the residue gas saturation of dry reservoir rocks.

1H and 2H NMR studies of benzene confined in porous solids: melting point depression and pore size distribution.

PubMed

Aksnes, D W; Kimtys, L

2004-01-01

The pore size distributions of four controlled pore glasses and three silica gels with nominal diameters in the range 4-24 nm were determined by measuring the 1H and 2H NMR signals from the non-frozen fraction of confined benzene and perdeuterated benzene as a function of temperature, in steps of ca. 0.1-1 K. The liquid and solid components of the adsorbate were distinguished, on the basis of the spin-spin relaxation time T2, by employing a spin-echo sequence. The experimental intensity curves of the liquid component are well represented by a sum of two error functions. The mean melting point depression of benzene and perdeuterated benzene confined in the four controlled pore glasses, with pore radius R, follows the simplified Gibbs-Thompson equation DeltaT=kp/R with a kp value of 44 K nm. As expected, the kp value mainly determines the position of the pore size distribution curve, i.e., the mean pore radius, while the transition width determines the shape of the pore size distribution curve. The excellent agreement between the results from the 1H and 2H measurements shows that the effect of the background absorption from protons in physisorbed water and silanol groups is negligible under the experimental conditions used. The overall pore size distributions determined by NMR are in reasonable agreement with the results specified by the manufacturer, or measured by us using the N2 sorption technique. The NMR method, which is complementary to the conventional gas sorption method, is particularly appropriate for studying pore sizes in the mesoporous range.

[Effects of biochar and PAM application on saline soil hydraulic properties of coastal reclamation region].

PubMed

Cao, Yu Tong; She, Dong Li

2017-11-01

Disc infiltration tests were carried out to study the soil infiltration characteristics under different rates of soil amendments application, and to investigate the effects of biochar and polyacrylamide (PAM) application on saline soil hydraulic properties, pore characteristics and contribution of each pore to soil water flow in coastal reclamation region. The results showed that soil satura-ted hydraulic conductivity increased by 46.4% when biochar was applied at 2% compared with the control, and decreased with increasing PAM application. The total effective soil porosity and r>100 μm pores were increased by 8.3% and 10.2% (P<0.05) with the application of 2% biochar alone. The total effective soil porosity and different radius pores decreased with the PAM application. Particularly, the total effective soil porosity decreased markedly when PAM was applied at 1‰ and the reduction was up to 88%. With the application of biochar and PAM, the contribution of r<100 μm pores to water flow decreased and the pores with r>500 μm played a major role in determining water flows.

Freezing and melting of water in a single cylindrical pore: The pore-size dependence of freezing and melting behavior

NASA Astrophysics Data System (ADS)

Morishige, Kunimitsu; Kawano, Keiji

1999-03-01

In order to clarify the origin of the hysteresis between freezing and melting of pore water, we performed x-ray diffraction measurements of water confined inside the cylindrical pores of seven kinds of siliceous MCM-41 (a member of ordered mesoporous materials denoted by Mobil Oil researchers) with different pore radii (1.2-2.9 nm) and the interconnected pores of Vycor glass as a function of temperature. The hysteresis effect depends markedly on the size of the cylindrical pores: the hysteresis is negligibly small in smaller pores and becomes remarkable in larger pores. This strongly suggests that the hysteresis is arisen from size-dependent supercooling of water confined to the mesopores. For the water confined to the mesopores with pore radius of 1.2 nm, a continuous transition between a liquid and a solid precedes the first-order freezing transition of the pore water which would occur by the same mechanism as in bulk water.

A fractal model of effective stress of porous media and the analysis of influence factors

NASA Astrophysics Data System (ADS)

Li, Wei; Zhao, Huan; Li, Siqi; Sun, Wenfeng; Wang, Lei; Li, Bing

2018-03-01

The basic concept of effective stress describes the characteristics of fluid and solid interaction in porous media. In this paper, based on the theory of fractal geometry, a fractal model was built to analyze the relationship between the microstructure and the effective stress of porous media. From the microscopic point of view, the influence of effective stress on pore structure of porous media was demonstrated. Theoretical analysis and experimental results show that: (i) the fractal model of effective stress can be used to describe the relationship between effective stress and the microstructure of porous media; (ii) a linear increase in the effective stress leads to exponential increases in fractal dimension, porosity and pore number of the porous media, and causes a decreasing trend in the average pore radius.

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.

Electrophoretic and Electrolytic Deposition of Ceramic Particles on Porous Substrates

DTIC Science & Technology

1992-09-30

particle penetration is facilitated by the electrophoretic force exerted on it and the electroosmotic flow of the fluid into the pores. 1 2 The...skeleton showed that the whole cross--section of the graphite was impregnated. - The existence of an electroosmotic effect was demonstrated by the...Pe) and the Damkohler number (A): Pe ((U" + Us)b -kb where U" - electrophoretic velocity Um - electroosmotic velocity b - pore mean radius D

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

Das, Chandan K.; Singh, Jayant K., E-mail: jayantks@iitk.ac.in

Three-stage pseudo-supercritical transformation path and multiple-histogram reweighting technique are employed for the determination of solid-liquid coexistence of the Lennard-Jones (12-6) fluid, in a structureless cylindrical pore of radius, R, ranging from 4 to 20 molecular diameters. The Gibbs free energy difference is evaluated using thermodynamic integration method by connecting solid and liquid phases under confinement via one or more intermediate states without any first order phase transition among them. The thermodynamic melting temperature, T{sub m}, is found to oscillate for pore size, R < 8, which is in agreement with the behavior observed for the melting temperature in slit pores.more » However, T{sub m} for almost all pore sizes is less than the bulk case, which is contrary to the behavior seen for the slit pore. The oscillation in T{sub m} decays at around pore radius R = 8, and beyond that shift in the melting temperature with respect to the bulk case is in line with the prediction of the Gibbs-Thomson equation.« less

Infiltration of carbon in pores within coke and charcoal by methane cracking

NASA Astrophysics Data System (ADS)

Shigeno, Y.; Evans, J. W.

1992-08-01

In order to modify metallurgical coke to increase its resistance to oxidation by CO2, pores within the coke were infiltrated by methane cracking. Carbon produced by methane cracking can impregnate small pores (about 30 nm < pore radius < about 0.3 μm) in which considerable oxidation takes place. This carbon can prevent CO2 from intruding into these pores, reducing the oxidation rate by one third.

Increased Cortical Porosity in Type-2 Diabetic Postmenopausal Women with Fragility Fractures

PubMed Central

Patsch, Janina M.; Burghardt, Andrew J.; Yap, Samuel P.; Baum, Thomas; Schwartz, Ann V.; Joseph, Gabby B.; Link, Thomas M.

2012-01-01

The primary goal of this study was to assess peripheral bone microarchitecture and strength in diabetic postmenopausal women with fragility fractures (DMFx) and to compare them with diabetic women without fracture (DM). Secondary goals were to assess differences in non-diabetic women with (Fx) and without fragility fractures (Co) and in women with (DM) and without diabetes (Co). Eighty women (mean age 61.3±5.7 yrs) were recruited into these groups (n=20 per group). Participants underwent DXA and high-resolution peripheral quantitative computed tomography (HR-pQCT) of the ultradistal and distal radius and tibia. In the HR-pQCT images volumetric bone mineral density, cortical and trabecular structure measures, including cortical porosity, were calculated. Bone strength was estimated using micro-finite element analysis (μFEA). Differential strength estimates were obtained with and without open cortical pores. At the ultradistal and distal tibia, DMFx had greater intracortical pore volume (+52.6%, p=0.009; +95.4%, p=0.020), relative porosity (+58.1%; p=0.005; +87.9%, p=0.011) and endocortical bone surface (+10.9%, p=0.031; +11.5%, 0.019) than DM. At the distal radius DMFx had 4.7-fold greater relative porosity (p=0.000) than DM. At the ultradistal radius, intracortical pore volume was significantly higher in DMFx than DM (+67.8%, p=0.018). DMFx also displayed larger trabecular heterogeneity (ultradistal radius; +36.8%, p=0.035), and lower total and cortical BMD (ultradistal tibia: −12.6%, p=0.031; −6.8%, p=0.011) than DM. DMFx exhibited significantly higher pore-related deficits in stiffness, failure load and cortical load fraction at the ultradistal and distal tibia, and the distal radius than DM. Comparing non-diabetic Fx and Co, we only found a non-significant trend with increase in pore volume (+38.9%, p=0.060) at the ultradistal radius. The results of our study suggest that severe deficits in cortical bone quality are responsible for fragility fractures in postmenopausal diabetic women. PMID:22991256

Root induced changes of effective 1D hydraulic properties in a soil column.

PubMed

Scholl, P; Leitner, D; Kammerer, G; Loiskandl, W; Kaul, H-P; Bodner, G

Roots are essential drivers of soil structure and pore formation. This study aimed at quantifying root induced changes of the pore size distribution (PSD). The focus was on the extent of clogging vs. formation of pores during active root growth. Parameters of Kosugi's lognormal PSD model were determined by inverse estimation in a column experiment with two cover crops (mustard, rye) and an unplanted control. Pore dynamics were described using a convection-dispersion like pore evolution model. Rooted treatments showed a wider range of pore radii with increasing volumes of large macropores >500 μm and micropores <2.5 μm, while fine macropores, mesopores and larger micropores decreased. The non-rooted control showed narrowing of the PSD and reduced porosity over all radius classes. The pore evolution model accurately described root induced changes, while structure degradation in the non-rooted control was not captured properly. Our study demonstrated significant short term root effects with heterogenization of the pore system as dominant process of root induced structure formation. Pore clogging is suggested as a partial cause for reduced pore volume. The important change in micro- and large macropores however indicates that multiple mechanic and biochemical processes are involved in root-pore interactions.

Polymer translocation in solid-state nanopores: Dependence on hydrodynamic interactions and polymer configuration

NASA Astrophysics Data System (ADS)

Edmonds, Christopher M.; Hesketh, Peter J.; Nair, Sankar

2013-11-01

We present a Brownian dynamics investigation of 3-D Rouse and Zimm polymer translocation through solid-state nanopores. We obtain different scaling exponents α for both polymers using two initial configurations: minimum energy, and 'steady-state'. For forced translocation, Rouse polymers (no hydrodynamic interactions), shows a large dependence of α on initial configuration and voltage. Higher voltages result in crowding at the nanopore exit and reduced α. When the radius of gyration is in equilibrium at the beginning and end of translocation, α = 1 + υ where υ is the Flory exponent. For Zimm polymers (including hydrodynamic interactions), crowding is reduced and α = 2υ. Increased pore diameter does not affect α at moderate voltages that reduce diffusion effects. For unforced translocation using narrow pores, both polymers give α = 1 + 2υ. Due to increased polymer-pore interactions in the narrow pore, hydrodynamic drag effects are reduced, resulting in identical scaling.

Environmental and management impacts on temporal variability of soil hydraulic properties

NASA Astrophysics Data System (ADS)

Bodner, G.; Scholl, P.; Loiskandl, W.; Kaul, H.-P.

2012-04-01

Soil hydraulic properties underlie temporal changes caused by different natural and management factors. Rainfall intensity, wet-dry cycles, freeze-thaw cycles, tillage and plant effects are potential drivers of the temporal variability. For agricultural purposes it is important to determine the possibility of targeted influence via management. In no-till systems e.g. root induced soil loosening (biopores) is essential to counteract natural soil densification by settling. The present work studies two years of temporal evolution of soil hydraulic properties in a no-till crop rotation (durum wheat-field pea) with two cover crops (mustard and rye) having different root systems (taproot vs. fibrous roots) as well as a bare soil control. Soil hydraulic properties such as near-saturated hydraulic conductivity, flow weighted pore radius, pore number and macroporosity are derived from measurements using a tension infiltrometer. The temporal dynamics are then analysed in terms of potential driving forces. Our results revealed significant temporal changes of hydraulic conductivity. When approaching saturation, spatial variability tended to dominate over the temporal evolution. Changes in near-saturated hydraulic conductivity were mainly a result of changing pore number, while the flow weighted mean pore radius showed less temporal dynamic in the no-till system. Macroporosity in the measured range of 0 to -10 cm pressure head ranged from 1.99e-4 to 8.96e-6 m3m-3. The different plant coverage revealed only minor influences on the observed system dynamics. Mustard increased slightly the flow weighted mean pore radius, being 0.090 mm in mustard compared to 0.085 mm in bare soil and 0.084 mm in rye. Still pore radius changes were of minor importance for the overall temporal dynamics. Rainfall was detected as major driving force of the temporal evolution of structural soil hydraulic properties at the site. Soil hydraulic conductivity in the slightly unsaturated range (-7 cm to -10 cm) showed a similar time course as a moving average of rainfall. Drying induced a decrease in conductivity while wetting of the soil resulted in higher conductivity values. Approaching saturation however, the drying phase showed a different behaviour with increasing values of hydraulic conductivity. This may be explained probably by formation of cracks acting as large macropores. We concluded that aggregate coalescence as a function of capillary forces and soil rheologic properties (cf. Or et al., 2002) are a main predictor of temporal dynamics of near saturated soil hydraulic properties while different plant covers only had a minor effect on the observed system dynamics. Or, D., Ghezzehei, T.A. 2002. Modeling post-tillage soil structural dynamics. a review. Soil Till Res. 64, 41-59.

Ion transport in sub-5-nm graphene nanopores.

PubMed

Suk, Myung E; Aluru, N R

2014-02-28

Graphene nanopore is a promising device for single molecule sensing, including DNA bases, as its single atom thickness provides high spatial resolution. To attain high sensitivity, the size of the molecule should be comparable to the pore diameter. However, when the pore diameter approaches the size of the molecule, ion properties and dynamics may deviate from the bulk values and continuum analysis may not be accurate. In this paper, we investigate the static and dynamic properties of ions with and without an external voltage drop in sub-5-nm graphene nanopores using molecular dynamics simulations. Ion concentration in graphene nanopores sharply drops from the bulk concentration when the pore radius is smaller than 0.9 nm. Ion mobility in the pore is also smaller than bulk ion mobility due to the layered liquid structure in the pore-axial direction. Our results show that a continuum analysis can be appropriate when the pore radius is larger than 0.9 nm if pore conductivity is properly defined. Since many applications of graphene nanopores, such as DNA and protein sensing, involve ion transport, the results presented here will be useful not only in understanding the behavior of ion transport but also in designing bio-molecular sensors.

Confinement Correction to Mercury Intrusion Capillary Pressure of Shale Nanopores

PubMed Central

Wang, Sen; Javadpour, Farzam; Feng, Qihong

2016-01-01

We optimized potential parameters in a molecular dynamics model to reproduce the experimental contact angle of a macroscopic mercury droplet on graphite. With the tuned potential, we studied the effects of pore size, geometry, and temperature on the wetting of mercury droplets confined in organic-rich shale nanopores. The contact angle of mercury in a circular pore increases exponentially as pore size decreases. In conjunction with the curvature-dependent surface tension of liquid droplets predicted from a theoretical model, we proposed a technique to correct the common interpretation procedure of mercury intrusion capillary pressure (MICP) measurement for nanoporous material such as shale. Considering the variation of contact angle and surface tension with pore size improves the agreement between MICP and adsorption-derived pore size distribution, especially for pores having a radius smaller than 5 nm. The relative error produced in ignoring these effects could be as high as 44%—samples that contain smaller pores deviate more. We also explored the impacts of pore size and temperature on the surface tension and contact angle of water/vapor and oil/gas systems, by which the capillary pressure of water/oil/gas in shale can be obtained from MICP. This information is fundamental to understanding multiphase flow behavior in shale systems. PMID:26832445

Joint radius-length distribution as a measure of anisotropic pore eccentricity: an experimental and analytical framework.

PubMed

Benjamini, Dan; Basser, Peter J

2014-12-07

In this work, we present an experimental design and analytical framework to measure the nonparametric joint radius-length (R-L) distribution of an ensemble of parallel, finite cylindrical pores, and more generally, the eccentricity distribution of anisotropic pores. Employing a novel 3D double pulsed-field gradient acquisition scheme, we first obtain both the marginal radius and length distributions of a population of cylindrical pores and then use these to constrain and stabilize the estimate of the joint radius-length distribution. Using the marginal distributions as constraints allows the joint R-L distribution to be reconstructed from an underdetermined system (i.e., more variables than equations), which requires a relatively small and feasible number of MR acquisitions. Three simulated representative joint R-L distribution phantoms corrupted by different noise levels were reconstructed to demonstrate the process, using this new framework. As expected, the broader the peaks in the joint distribution, the less stable and more sensitive to noise the estimation of the marginal distributions. Nevertheless, the reconstruction of the joint distribution is remarkably robust to increases in noise level; we attribute this characteristic to the use of the marginal distributions as constraints. Axons are known to exhibit local compartment eccentricity variations upon injury; the extent of the variations depends on the severity of the injury. Nonparametric estimation of the eccentricity distribution of injured axonal tissue is of particular interest since generally one cannot assume a parametric distribution a priori. Reconstructing the eccentricity distribution may provide vital information about changes resulting from injury or that occurred during development.

Upscaling of spectral induced polarization response using random tube networks

NASA Astrophysics Data System (ADS)

Maineult, Alexis; Revil, André; Camerlynck, Christian; Florsch, Nicolas; Titov, Konstantin

2017-05-01

In order to upscale the induced polarization (IP) response of porous media, from the pore scale to the sample scale, we implement a procedure to compute the macroscopic complex resistivity response of random tube networks. A network is made of a 2-D square-meshed grid of connected tubes, which obey to a given tube radius distribution. In a simplified approach, the electrical impedance of each tube follows a local Pelton resistivity model, with identical resistivity, chargeability and Cole-Cole exponent values for all the tubes-only the time constant varies, as it depends on the radius of each tube and on a diffusion coefficient also identical for all the tubes. By solving the conservation law for the electrical charge, the macroscopic IP response of the network is obtained. We fit successfully the macroscopic complex resistivity also by a Pelton resistivity model. Simulations on uncorrelated and correlated networks, for which the tube radius distribution is so that the decimal logarithm of the radius is normally distributed, evidence that the local and macroscopic model parameters are the same, except the Cole-Cole exponent: its macroscopic value diminishes with increasing heterogeneity (i.e. with increasing standard deviation of the radius distribution), compared to its local value. The methodology is also applied to six siliciclastic rock samples, for which the pore radius distributions from mercury porosimetry are available. These samples exhibit the same behaviour as synthetic media, that is, the macroscopic Cole-Cole exponent is always lower than the local one. As a conclusion, the pore network method seems to be a promising tool for studying the upscaling of the IP response of porous media.

Effect of acoustic field parameters on arc acoustic binding during ultrasonic wave-assisted arc welding.

PubMed

Xie, Weifeng; Fan, Chenglei; Yang, Chunli; Lin, Sanbao

2016-03-01

As a newly developed arc welding method, power ultrasound has been successfully introduced into arc and weld pool during ultrasonic wave-assisted arc welding process. The advanced process for molten metals can be realized by utilizing additional ultrasonic field. Under the action of the acoustic wave, the plasma arc as weld heat source is regulated and its characteristics make an obvious change. Compared with the conventional arc, the ultrasonic wave-assisted arc plasma is bound significantly and becomes brighter. To reveal the dependence of the acoustic binding force on acoustic field parameters, a two-dimensional acoustic field model for ultrasonic wave-assisted arc welding device is established. The influences of the radiator height, the central pore radius, the radiator radius, and curvature radius or depth of concave radiator surface are discussed using the boundary element method. Then the authors analyze the resonant mode by this relationship curve between acoustic radiation power and radiator height. Furthermore, the best acoustic binding ability is obtained by optimizing the geometric parameters of acoustic radiator. In addition, three concave radiator surfaces including spherical cap surface, paraboloid of revolution, and rotating single curved surface are investigated systematically. Finally, both the calculation and experiment suggest that, to obtain the best acoustic binding ability, the ultrasonic wave-assisted arc welding setup should be operated under the first resonant mode using a radiator with a spherical cap surface, a small central pore, a large section radius and an appropriate curvature radius. Copyright © 2015 Elsevier B.V. All rights reserved.

Definitions of differences and changes in peritoneal membrane water transport properties.

PubMed

Widerøe, T E; Smeby, L C; Dahl, K; Jörstad, S

1988-06-01

A survey is given comparing measurements of transperitoneal water transport in different clinical situations with analyses based on the so-called "pore theory." This model links the measured changes to physical alterations of the peritoneal membrane. The calculations include "equivalent pore radius," effective "membrane area" and diffusive length, the transport resistance of the unstirred dialysate layer, and the residual intraperitoneal volume after dialysate drainage. The clinical appearances include individual differences in transperitoneal transport characteristics, changes in transperitoneal transport over time on continuous ambulatory peritoneal dialysis (CAPD) and during peritonitis, the pharmacological effect on the transport properties, and the effect of peritoneal catheter dislocation on ultrafiltration capacity. The main conclusions are as follow: During CAPD treatment the measurement of intraperitoneal solute equilibration and "mass-transfer-area coefficients" for urea and creatinine is less sensitive than the measurement of ultrafiltration volume in revealing peritoneal membrane changes. Differences and changes found have mostly a combined physical explanation, but one is more or less dominant. Changes in peritoneal membrane area seem to be the most dominant cause of changes in transperitoneal transport during time on CAPD and when sodium nitroprusside was added to the peritoneal dialysate. Changes during peritonitis can be explained by changes in pore radius and depth. Individual differences can be explained by differences in "membrane" area and in resistance of the unstirred dialysate fluid. High residual dialysate volume can give rise to clinical problems and should be considered when placing the catheter in the peritoneal cavity.

Hydraulic characterisation of iron-oxide-coated sand and gravel based on nuclear magnetic resonance relaxation mode analyses

NASA Astrophysics Data System (ADS)

Costabel, Stephan; Weidner, Christoph; Müller-Petke, Mike; Houben, Georg

2018-03-01

The capability of nuclear magnetic resonance (NMR) relaxometry to characterise hydraulic properties of iron-oxide-coated sand and gravel was evaluated in a laboratory study. Past studies have shown that the presence of paramagnetic iron oxides and large pores in coarse sand and gravel disturbs the otherwise linear relationship between relaxation time and pore size. Consequently, the commonly applied empirical approaches fail when deriving hydraulic quantities from NMR parameters. Recent research demonstrates that higher relaxation modes must be taken into account to relate the size of a large pore to its NMR relaxation behaviour in the presence of significant paramagnetic impurities at its pore wall. We performed NMR relaxation experiments with water-saturated natural and reworked sands and gravels, coated with natural and synthetic ferric oxides (goethite, ferrihydrite), and show that the impact of the higher relaxation modes increases significantly with increasing iron content. Since the investigated materials exhibit narrow pore size distributions, and can thus be described by a virtual bundle of capillaries with identical apparent pore radius, recently presented inversion approaches allow for estimation of a unique solution yielding the apparent capillary radius from the NMR data. We found the NMR-based apparent radii to correspond well to the effective hydraulic radii estimated from the grain size distributions of the samples for the entire range of observed iron contents. Consequently, they can be used to estimate the hydraulic conductivity using the well-known Kozeny-Carman equation without any calibration that is otherwise necessary when predicting hydraulic conductivities from NMR data. Our future research will focus on the development of relaxation time models that consider pore size distributions. Furthermore, we plan to establish a measurement system based on borehole NMR for localising iron clogging and controlling its remediation in the gravel pack of groundwater wells.

Freezing, melting and structure of ice in a hydrophilic nanopore.

PubMed

Moore, Emily B; de la Llave, Ezequiel; Welke, Kai; Scherlis, Damian A; Molinero, Valeria

2010-04-28

The nucleation, growth, structure and melting of ice in 3 nm diameter hydrophilic nanopores are studied through molecular dynamics simulations with the mW water model. The melting temperature of water in the pore was T(m)(pore) = 223 K, 51 K lower than the melting point of bulk water in the model and in excellent agreement with experimental determinations for 3 nm silica pores. Liquid and ice coexist in equilibrium at the melting point and down to temperatures as low as 180 K. Liquid water is located at the interface of the pore wall, increasing from one monolayer at the freezing temperature, T(f)(pore) = 195 K, to two monolayers a few degrees below T(m)(pore). Crystallization of ice in the pore occurs through homogeneous nucleation. At the freezing temperature, the critical nucleus contains approximately 75 to 100 molecules, with a radius of gyration similar to the radius of the pore. The critical nuclei contain features of both cubic and hexagonal ice, although stacking of hexagonal and cubic layers is not defined until the nuclei reach approximately 150 molecules. The structure of the confined ice is rich in stacking faults, in agreement with the interpretation of X-ray and neutron diffraction experiments. Though the presence of cubic layers is twice as prevalent as hexagonal ones, the crystals should not be considered defective Ic as sequences with more than three adjacent cubic (or hexagonal) layers are extremely rare in the confined ice.

Confined polar mixtures within cylindrical nanocavities.

PubMed

Rodriguez, Javier; Elola, M Dolores; Laria, Daniel

2010-06-17

Using molecular dynamics experiments, we have extended our previous analysis of equimolar mixtures of water and acetonitrile confined between silica walls [J. Phys. Chem. B 2009, 113, 12744] to examine similar solutions trapped within carbon nanotubes and cylindrical silica pores. Two different carbon tube sizes were investigated, (8,8) tubes, with radius R(cnt) = 0.55 nm, and (16,16) ones, with R(cnt) = 1.1 nm. In the narrowest tubes, we found that the cylindrical cavity is filled exclusively by acetonitrile; as the radius of the tube reaches approximately 1 nm, water begins to get incorporated within the inner cavities. In (16,16) tubes, the analysis of global and local concentration fluctuations shows a net increment of the global acetonitrile concentration; in addition, the aprotic solvent is also the prevailing species at the vicinity of the tube walls. Mixtures confined within silica nanopores of radius approximately 1.5 nm were also investigated. Three pores, differing in the effective wall/solvent interactions, were analyzed, (i) a first class, in which dispersive forces prevail (hydrophobic cavities), (ii) a second type, where oxygen sites at the pore walls are transformed into polar silanol groups (hydrophilic cavities), and (iii) finally, an intermediate scenario, in which 60% of the OH groups are replaced by mobile trimethylsilyl groups. Within the different pores, we found clear distinctions between the solvent layers that lie in close contact with the silica substrate and those with more central locations. Dynamical modes of the confined liquid phases were investigated in terms of diffusive and rotational time correlation functions. Compared to bulk results, the characteristic time scales describing different solvent motions exhibit significant increments. In carbon nanotubes, the most prominent modifications operate in the narrower tubes, where translations and rotations become severely hindered. In silica nanopores, the manifestations of the overall retardations are more dramatic for solvent species lying at the vicinity of trimethylsilyl groups.

Langevin and Fokker-Planck analyses of inhibited molecular passing processes controlling transport and reactivity in nanoporous materials

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

Wang, Chi-Jen; Ackerman, David M.; Slowing, Igor I.

2014-07-14

Inhibited passing of reactant and product molecules within the linear pores of nanoporous catalytic materials strongly reduces reactivity. The dependence of the passing propensity P on pore radius R is analyzed utilizing Langevin dynamics to account for solvent effects. We find that P~(R-R c) σ, where passing is sterically blocked for R≤R c, with σ below the transition state theory value. Deeper insight comes from analysis of the corresponding high-dimensional Fokker-Planck equation, which facilitates an effective small-P approximation, and dimensional reduction enabling utilization of conformal mapping ideas. We analyze passing for spherical molecules and also assess the effect of rotationalmore » degrees of freedom for elongated molecules.« less

Fluid pressure development beneath the décollement at the Nankai subduction zone: its implications for slow earthquakes

NASA Astrophysics Data System (ADS)

Hirose, T.; Kamiya, N.; Yamamoto, Y.; Heuer, V.; Inagaki, F.; Kubo, Y.

2017-12-01

Pore fluid pressure along a fault zone is very important for understanding earthquake generation processes in subduction zones. However, quantitative constraints on the pore pressure are quite limited. Here we report two estimates of the pore pressure developed within the underthrust sediments in the Nankai Trough off Cape Muroto, Japan, using the shipboard data obtained during IODP Expedition 370 (Heuer et al., 2017). First estimates are based on the depth trend of porosity data in the lower Shikoku Basin (LSB) facies, in which the décollement zone has propagated. Porosities in the LSB facies generally decrease with depth, but turn to increase by 5-7% below the décollement zone at 760 mbsf. Deeper than 830 mbsf, porosities resume a general compaction trend. By applying the method followed by Screaton et al. (2002) in which the downward porosity-increase is reflected by an excess pore pressure, we estimated the highest excess pore pressure of 4.2 MPa (λ* = 0.4: a ratio of excess pore pressure to effective overburden stress) at 1020 mbsf within the underthrust sediments. Another estimate is based on the analysis of upwelling drilling-mud flow from the borehole, which is a direct evidence the development of overpressure. We assumed that the borehole penetrated a disc-shaped high pore pressure zone with 10 m thickness and the steady-state flow. Then the pore pressure for a given radius of the disc-shaped zone, which is necessary for explaining the observed flow rate, was calculated using Darcy's law. The calculation yields that the pore pressure exceeded by 2-4 MPa above hydrostatic in case of the 10-13 m2 permeability and the 100-1000 m radius of the disc-shaped zone. Our analysis indicates a significant development of excess pore pressure beneath the décollement zone, most likely at the depth of 1020 mbsf where the highest overpressure was estimated from the downhole porosity trend and also an anomaly in relative hydrocarbon gas concentrations. Friction experiments by Sawai et al. (2016) show that a transition from stable to unstable slip behavior appears with increasing pore fluid pressure that is a prerequisite for the generation of slow earthquakes. Thus, slow earthquakes that occurred off Cape Muroto (Obara & Kato, 2016) can be attributed with the observed significant overpressure beneath the décollement.

3D modeling to characterize lamina cribrosa surface and pore geometries using in vivo images from normal and glaucomatous eyes

PubMed Central

Sredar, Nripun; Ivers, Kevin M.; Queener, Hope M.; Zouridakis, George; Porter, Jason

2013-01-01

En face adaptive optics scanning laser ophthalmoscope (AOSLO) images of the anterior lamina cribrosa surface (ALCS) represent a 2D projected view of a 3D laminar surface. Using spectral domain optical coherence tomography images acquired in living monkey eyes, a thin plate spline was used to model the ALCS in 3D. The 2D AOSLO images were registered and projected onto the 3D surface that was then tessellated into a triangular mesh to characterize differences in pore geometry between 2D and 3D images. Following 3D transformation of the anterior laminar surface in 11 normal eyes, mean pore area increased by 5.1 ± 2.0% with a minimal change in pore elongation (mean change = 0.0 ± 0.2%). These small changes were due to the relatively flat laminar surfaces inherent in normal eyes (mean radius of curvature = 3.0 ± 0.5 mm). The mean increase in pore area was larger following 3D transformation in 4 glaucomatous eyes (16.2 ± 6.0%) due to their more steeply curved laminar surfaces (mean radius of curvature = 1.3 ± 0.1 mm), while the change in pore elongation was comparable to that in normal eyes (−0.2 ± 2.0%). This 3D transformation and tessellation method can be used to better characterize and track 3D changes in laminar pore and surface geometries in glaucoma. PMID:23847739

The force exerted by the membrane potential during protein import into the mitochondrial matrix

NASA Technical Reports Server (NTRS)

Shariff, Karim; Ghosal, Sandip; Matouschek, Andreas

2004-01-01

The force exerted on a targeting sequence by the electrical potential across the inner mitochondrial membrane is calculated on the basis of continuum electrostatics. The force is found to vary from 3.0 pN to 2.2 pN (per unit elementary charge) as the radius of the inner membrane pore (assumed aqueous) is varied from 6.5 to 12 A, its measured range. In the present model, the decrease in force with increasing pore width arises from the shielding effect of water. Since the pore is not very much wider than the distance between water molecules, the full shielding effect of water may not be present; the extreme case of a purely membranous pore without water gives a force of 3.2 pN per unit charge, which should represent an upper limit. When applied to mitochondrial import experiments on the protein barnase, these results imply that forces between 11 +/- 2 pN and 13.5 +/- 2.5 pN catalyze the unfolding of barnase in those experiments. A comparison of these results with unfolding forces measured using atomic force microscopy is made.

Effects of Pore Size on the Osteoconductivity and Mechanical Properties of Calcium Phosphate Cement in a Rabbit Model.

PubMed

Zhao, Yi-Nan; Fan, Jun-Jun; Li, Zhi-Quan; Liu, Yan-Wu; Wu, Yao-Ping; Liu, Jian

2017-02-01

Calcium phosphate cement (CPC) porous scaffold is widely used as a suitable bone substitute to repair bone defect, but the optimal pore size is unclear yet. The current study aimed to evaluate the effect of different pore sizes on the processing of bone formation in repairing segmental bone defect of rabbits using CPC porous scaffolds. Three kinds of CPC porous scaffolds with 5 mm diameters and 12 mm length were prepared with the same porosity but different pore sizes (Group A: 200-300 µm, Group B: 300-450 µm, Group C: 450-600 µm, respectively). Twelve millimeter segmental bone defects were created in the middle of the radius bone and filled with different kinds of CPC cylindrical scaffolds. After 4, 12, and 24 weeks, alkaline phosphatase (ALP), histological assessment, and mechanical properties evaluation were performed in all three groups. After 4 weeks, ALP activity increased in all groups but was highest in Group A with smallest pore size. The new bone formation within the scaffolds was not obvious in all groups. After 12 weeks, the new bone formation within the scaffolds was obvious in each group and highest in Group A. At 24 weeks, no significant difference in new bone formation was observed among different groups. Besides the osteoconductive effect, Group A with smallest pore size also had the best mechanical properties in vivo at 12 weeks. We demonstrate that pore size has a significant effect on the osteoconductivity and mechanical properties of calcium phosphate cement porous scaffold in vivo. Small pore size favors the bone formation in the early stage and may be more suitable for repairing segmental bone defect in vivo. © 2016 International Center for Artificial Organs and Transplantation and Wiley Periodicals, Inc.

A Similarity Criterion for Supersonic Flow Past a Cylinder with a Frontal High-Porosity Cellular Insert

NASA Astrophysics Data System (ADS)

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

2018-03-01

We have experimentally and numerically studied the influence of the ratio of the diameter of a cylinder with a frontal gas-permeable porous insert made of nickel sponge to the average pore diameter in the insert on the aerodynamic drag of this model body in supersonic airflow ( M ∞ = 4.85, 7, and 21). The analytical dependence of the normalized drag coefficient on a parameter involving the Mach number and the ratio of cylinder radius to average pore radius in the insert is obtained. It is suggested to use this parameter as a similarity criterion in the problem of supersonic airflow past a cylinder with a frontal high-porosity cellular insert.

Characterization of tillage effects on soil permeability using different measures of macroporosity derived from tension infiltrometry

NASA Astrophysics Data System (ADS)

Bodner, G.; Schwen, A.; Scholl, P.; Kammerer, G.; Buchan, G.; Kaul, H.-P.; Loiskandl, W.

2010-05-01

Soil macroporosity is a highly dynamic property influenced by environmental factors, such as raindrop impact, wetting-drying and freezing-thawing cycles, soil biota and plant roots, as well as agricultural management measures. Macroporosity represents an important indicator of soil physical quality, particularly in relation to the site specific water transmission properties, and can be used as a sensitive measure to assess soil structural degradation. Its quantification is also required for the parameterization of dual porosity models that are frequently used in environmental impact studies on erosion and solute (pesticide, nitrate) leaching. The importance of soil macroporosity for the water transport properties of the soil and its complexity due to high spatio-temporal heterogeneity make its quantitative assessment still a challenging task. Tension infiltrometers have been shown to be adequate measurement devices to obtain data in the near-saturated range of water flow where structural (macro)pores are dominating the transport process. Different methods have been used to derive water transmission characteristics from tension infiltrometer measurements. Moret and Arrúe (2007) differentiated between using a minimum equivalent capillary pore radius and a flow weighted mean pore radius to obtain representative macropore flow properties from tension infiltrometer data. Beside direct approaches based on Wooding's equation, also inverse methods have been applied to obtain soil hydraulic properties (Šimůnek et al. 1998). Using a dual porosity model in the inverse procedure allows estimating parameters in the dynamic near-saturated range by numerical optimization to the infiltration measurements, while fixing parameters in the more stable textural range of small pores using e.g. pressure plate data or even pedotransfer functions. The present work presents a comparison of quantitative measures of soil macroporosity derived from tension infiltrometer data by different approaches (direct vs. inverse evaluation, capillary vs. flow weighted pore radius). We will show the influence of the distinct evaluation procedures on the resulting effective macroporosity, as well as on the relationships between macropore radius and hydraulic conductivity (Moret and Arrúe, 2007) and pore fraction respectively (Carey et al., 2007). The infiltration measurements used in this study were obtained in a long-term tillage trial located in the semi-arid region of Eastern Austria. Measurements were taken five times over the vegetation period, starting immediately after tillage until harvest of the winter wheat crop. Three tillage systems were evaluated, being conventional tillage with plough, minimum tillage with chisel and no-tillage. Additional to infiltration measurements, also soil water content was monitored continuously by a capacitance probe in all three replicates of each tillage treatment in 10, 20 and 40 cm soil depth. Water content time series are used to derive flow velocity in the wet range by cross-correlation analysis (Wu et al., 1997). This effective parameter of water transmission will then be compared to the flow behaviour expected from the characterization of soil macroporosity. We will show that mainly in no-tillage systems large macropores contribute essentially to flow and therefore the decision on pore measure and evaluation procedure to be used leads to substantial differences. For a detailed comparison of tillage effects on soil hydraulic properties it is therefore essential to analyse the contribution of different tension infiltrometry based evaluation methods to explain effective water transmission through the complex porous network of the soil. References Carey, S.K., Quinton, W.L., Goeller, N.T. 2007. Field and laboratory estimates of pore size properties and hydraulic characteristics for subarctic organic soils. Hydrol. Process. 21, 2560-2571. Moret, D., Arrúe, J.L. 2007. Characterizing soil water conducting macro- and mesoporosity as influences by tillage using tension infiltrmetry. Soil Sci. Soc. Am. J. 71, 500-506. Šimůnek, J., Wang Dong, Shouse, P. J., van Genuchten, M. T. 1998. Analysis of field tension disc infiltrometer data by parameter estimation. Int. Agrophys. 12. 167-180. Wu, L., Jury, W.A., Chang, A.C. 1997. Time series analysis of field-measured watr content of a sandy soil. Soil Sci. Soc. Am. J. 61. 742-745.

Physically based model for extracting dual permeability parameters using non-Newtonian fluids

NASA Astrophysics Data System (ADS)

Abou Najm, M. R.; Basset, C.; Stewart, R. D.; Hauswirth, S.

2017-12-01

Dual permeability models are effective for the assessment of flow and transport in structured soils with two dominant structures. The major challenge to those models remains in the ability to determine appropriate and unique parameters through affordable, simple, and non-destructive methods. This study investigates the use of water and a non-Newtonian fluid in saturated flow experiments to derive physically-based parameters required for improved flow predictions using dual permeability models. We assess the ability of these two fluids to accurately estimate the representative pore sizes in dual-domain soils, by determining the effective pore sizes of macropores and micropores. We developed two sub-models that solve for the effective macropore size assuming either cylindrical (e.g., biological pores) or planar (e.g., shrinkage cracks and fissures) pore geometries, with the micropores assumed to be represented by a single effective radius. Furthermore, the model solves for the percent contribution to flow (wi) corresponding to the representative macro and micro pores. A user-friendly solver was developed to numerically solve the system of equations, given that relevant non-Newtonian viscosity models lack forms conducive to analytical integration. The proposed dual-permeability model is a unique attempt to derive physically based parameters capable of measuring dual hydraulic conductivities, and therefore may be useful in reducing parameter uncertainty and improving hydrologic model predictions.

Liquid-Vapor Coexistence at a Mesoporous Substrate

NASA Astrophysics Data System (ADS)

Kityk, A. V.; Hofmann, T.; Knorr, K.

2008-01-01

The condensation of hexane vapor onto a mesoporous Si substrate with a pore radius of 3.5 nm has been studied by means of volumetry and ellipsometry. The filling fraction of the pores and the coverage of the substrate have been determined. The coverage of the regime after the completion of capillary condensation has been compared to recent theoretical work.

Pore-scale modeling of Capillary Penetration of Wetting Liquid into 3D Fibrous Media: A Critical Examination of Equivalent Capillary Concept

NASA Astrophysics Data System (ADS)

Palakurthi, Nikhil Kumar; Ghia, Urmila; Comer, Ken

2013-11-01

Capillary penetration of liquid through fibrous porous media is important in many applications such as printing, drug delivery patches, sanitary wipes, and performance fabrics. Historically, capillary transport (with a distinct liquid propagating front) in porous media is modeled using capillary-bundle theory. However, it is not clear if the capillary model (Washburn equation) describes the fluid transport in porous media accurately, as it assumes uniformity of pore sizes in the porous medium. The present work investigates the limitations of the applicability of the capillary model by studying liquid penetration through virtual fibrous media with uniform and non-uniform pore-sizes. For the non-uniform-pore fibrous medium, the effective capillary radius of the fibrous medium was estimated from the pore-size distribution curve. Liquid penetration into the 3D virtual fibrous medium at micro-scale was simulated using OpenFOAM, and the numerical results were compared with the Washburn-equation capillary-model predictions. Preliminary results show that the Washburn equation over-predicts the height rise in the early stages (purely inertial and visco-inertial stages) of capillary transport.

Electrical characteristics of rocks in fractured and caved reservoirs

NASA Astrophysics Data System (ADS)

Tang, Tianzhi; Lu, Tao; Zhang, Haining; Jiang, Liming; Liu, Tangyan; Meng, He; Wang, Feifei

2017-12-01

The conductive paths formed by fractures and cave in complex reservoirs differ from those formed by pores and throats in clastic rocks. In this paper, a new formation model based on fractured and caved reservoirs is established, and the electrical characteristics of rocks are analyzed with different pore structures using resistance law to understand their effects on rock resistivity. The ratio of fracture width to cave radius (C e value) and fracture dip are employed to depict pore structure in this model. Our research shows that the electrical characteristics of rocks in fractured and caved reservoirs are strongly affected by pore structure and porous fluid distribution. Although the rock electrical properties associated with simple pore structure agree well with Archie formulae, the relationships between F and φ or between I and S w , in more complicated pore structures, are nonlinear in double logarithmic coordinates. The parameters in Archie formulae are not constant and they depend on porosity and fluid saturation. Our calculations suggest that the inclined fracture may lead to resistivity anisotropy in the formation. The bigger dip the inclining fracture has, the more anisotropy the formation resistivity has. All of these studies own practical sense for the evaluation of oil saturation using resistivity logging data.

The Influence of Soft Layer Electrokinetics on Electroporation of Gram-positive Bacteria

NASA Astrophysics Data System (ADS)

Dingari, Naga Neehar; Moran, Jeffrey L.; Garcia, Paulo A.; Buie, Cullen R.

2016-11-01

Bacterial electroporation involves subjecting cells to intense ( 10 kV/cm) electric pulses, to open pores on the cell membrane for intracellular delivery of exogenous molecules. Its high efficiency in genetic transformation makes it an attractive tool for synthetic biology. While mammalian cell electroporation has received extensive theoretical and experimental investigation, bacterial electroporation has received markedly less attention. In this work, we develop a theoretical model of electroporation for gram-positive bacteria, taking into account the effect of the bacterial cell envelope on the cell's response to an electroporation pulse. We model the influence of the cell wall charge on the electrokinetic transport (and hence the pore properties) around the bacterial cell envelope using the Poisson-Nernst-Planck equations. Further, we account for the influence of the cell wall's mechanical elasticity on the pore radius evolution during electroporation, which is typically neglected in mammalian cell electroporation. This yields valuable information about favorable conditions for pore formation and will enable designing optimal platforms for bacteria electroporation.

Pore Size Distributions Inferred from Modified Inversion Percolation Modeling of Drainage Curves

NASA Astrophysics Data System (ADS)

Dralus, D. E.; Wang, H. F.; Strand, T. E.; Glass, R. J.; Detwiler, R. L.

2005-12-01

Experiments have been conducted of drainage in sand packs. At equilibrium, the interface between the fluids forms a saturation transition fringe where the saturation decreases monotonically with height. This behavior was observed in a 1-inch thick pack of 20-30 sand contained front and back within two thin, 12-inch-by-24-inch glass plates. The translucent chamber was illuminated from behind by a bank of fluorescent bulbs. Acquired data were in the form of images captured by a CCD camera with resolution on the grain scale. The measured intensity of the transmitted light was used to calculate the average saturation at each point in the chamber. This study used a modified invasion percolation (MIP) model to simulate the drainage experiments to evaluate the relationship between the saturation-versus-height curve at equilibrium and the pore size distribution associated with the granular medium. The simplest interpretation of a drainage curve is in terms of a distribution of capillary tubes whose radii reproduce the the observed distribution of rise heights. However, this apparent radius distribution obtained from direct inversion of the saturation profile did not yield the assumed radius distribution. Further investigation demonstrated that the equilibrium height distribution is controlled primarily by the Bond number (ratio of gravity to capillary forces) with some influence from the width of the pore radius distribution. The width of the equilibrium fringe is quantified in terms of the ratio of Bond number to the standard deviation of the pore throat distribution. The normalized saturation-vs-height curves exhibit a power-law scaling behavior consistent with both Brooks-Corey and Van Genuchten type curves. Fundamental tenets of percolation theory were used to quantify the relationship between the apparent and actual radius distributions as a function of the mean coordination number and of the ratio of Bond number to standard deviation, which was supported by both MIP simulations and corresponding drainage experiments.

A hydrophobic gate in an ion channel: the closed state of the nicotinic acetylcholine receptor

NASA Astrophysics Data System (ADS)

Beckstein, Oliver; Sansom, Mark S. P.

2006-06-01

The nicotinic acetylcholine receptor (nAChR) is the prototypic member of the 'Cys-loop' superfamily of ligand-gated ion channels which mediate synaptic neurotransmission, and whose other members include receptors for glycine, γ-aminobutyric acid and serotonin. Cryo-electron microscopy has yielded a three-dimensional structure of the nAChR in its closed state. However, the exact nature and location of the channel gate remains uncertain. Although the transmembrane pore is constricted close to its center, it is not completely occluded. Rather, the pore has a central hydrophobic zone of radius about 3 Å. Model calculations suggest that such a constriction may form a hydrophobic gate, preventing movement of ions through a channel. We present a detailed and quantitative simulation study of the hydrophobic gating model of the nicotinic receptor, in order to fully evaluate this hypothesis. We demonstrate that the hydrophobic constriction of the nAChR pore indeed forms a closed gate. Potential of mean force (PMF) calculations reveal that the constriction presents a barrier of height about 10 kT to the permeation of sodium ions, placing an upper bound on the closed channel conductance of 0.3 pS. Thus, a 3 Å radius hydrophobic pore can form a functional barrier to the permeation of a 1 Å radius Na+ ion. Using a united-atom force field for the protein instead of an all-atom one retains the qualitative features but results in differing conductances, showing that the PMF is sensitive to the detailed molecular interactions.

Nanoporous Anodic Alumina Surface Modification by Electrostatic, Covalent, and Immune Complexation Binding Investigated by Capillary Filling.

PubMed

Eckstein, Chris; Acosta, Laura K; Pol, Laura; Xifré-Pérez, Elisabet; Pallares, Josep; Ferré-Borrull, Josep; Marsal, Lluis F

2018-03-28

The fluid imbibition-coupled laser interferometry (FICLI) technique has been applied to detect and quantify surface changes and pore dimension variations in nanoporous anodic alumina (NAA) structures. FICLI is a noninvasive optical technique that permits the determination of the NAA average pore radius with high accuracy. In this work, the technique is applied after each step of different surface modification paths of the NAA pores: (i) electrostatic immobilization of bovine serum albumin (BSA), (ii) covalent attachment of streptavidin via (3-aminipropyl)-triethoxysilane and glutaraldehyde grafting, and (iii) immune complexation. Results show that BSA attachment can be detected as a reduction in estimated radius from FICLI with high accuracy and reproducibility. In the case of the covalent attachment of streptavidin, FICLI is able to recognize a multilayer formation of the silane and the protein. For immune complexation, the technique is able to detect different antibody-antigen bindings and distinguish different dynamics among different immune species.

TO "LIMITATIONS OF ROI TESTING FOR VENTING DESIGN: DESCRIPTION OF AN ALTERNATIVE APPROACH BASED ON ATTAINMENT OF A CRITICAL PORE-GAS VELOCITY IN CONTAMINATED MEDIA

EPA Science Inventory

In this paper, we describe the limitations of radius of influence (ROI) evaluation for venting design in more detail than has been done previously and propose an alternative method based on specification and attainment of critical pore-gas velocities in contaminated subsurface me...

Modeling the Soft Geometry of Biological Membranes

NASA Astrophysics Data System (ADS)

Daly, K.

This dissertation presents work done applying the techniques of physics to biological systems. The difference in length scales of the thickness of the phospolipid bilayer and overall size of a biological cell allows bilayer to be modeled elastically as a thin sheet. The Helfrich free energy is extended applied to models representing various biological systems, in order to find quasi-equilibrium states as well as transitions between states. Morphologies are approximated as axially sym-metric. Stable morphologies are de-termined analytically and through the use of computer simulation. The simple morphologies examined analytically give a model for the pearling transition seen in growing biological cells. An analytic model of celluar bulging in gram-negative bacteria predicts a critical pore radius for bulging of 20 nanometers. This model is extended to the membrane dynamics of human red blood cells, predicting three morphologic phases which are seen in vivo. A computer simulation was developed to study more complex morphologies with models representing different bilayer compositions. Single and multi-component bilayer models reproduce morphologies previously predicted by Seifert. A mean field model representing the intrinsic curvature of proteins coupling to membrane curvature is used to explore the stability of the particular morphology of rod outer segment cells. The process of pore formation and expansion in cell-cell fusion is not well understood. Simulation of the pore created in cell-cell fusion led to the finding of a minimal pore radius required for pore expansion, suggesting pores formed in nature are formed with a minimum size.

Phase diagram of supercooled water confined to hydrophilic nanopores

NASA Astrophysics Data System (ADS)

Limmer, David T.; Chandler, David

2012-07-01

We present a phase diagram for water confined to cylindrical silica nanopores in terms of pressure, temperature, and pore radius. The confining cylindrical wall is hydrophilic and disordered, which has a destabilizing effect on ordered water structure. The phase diagram for this class of systems is derived from general arguments, with parameters taken from experimental observations and computer simulations and with assumptions tested by computer simulation. Phase space divides into three regions: a single liquid, a crystal-like solid, and glass. For large pores, radii exceeding 1 nm, water exhibits liquid and crystal-like behaviors, with abrupt crossovers between these regimes. For small pore radii, crystal-like behavior is unstable and water remains amorphous for all non-zero temperatures. At low enough temperatures, these states are glasses. Several experimental results for supercooled water can be understood in terms of the phase diagram we present.

Design of Microporosity in Membrane Distillation

NASA Astrophysics Data System (ADS)

Zhao, Tom; Patankar, Neelesh

2017-11-01

Membrane Distillation (MD) is a desalination method where only vapor can pass through pores in a hydrophobic membrane. Unlike reverse osmosis, MD is insensitive to feed salinity (osmotic pressure) and demonstrates near 100% salt rejection in processing wastewater with a high concentration of nonvolatile impurities. To maximize vapor flux and maintain salt rejection, we demonstrate using molecular dynamics the critical pore radius below which the liquid feed will not intrude or nucleate inside the pores for cylindrical, re-entrant and conical pore geometries. We note that re-entrant structures not only can process low surface-tension wastewater due to its inherent oleophobicity, but can also be optimized to achieve maximum vapor transport compared to all other pore geometries as a function of the material hydrophobicity.

Improving the performance of water desalination through ultra-permeable functionalized nanoporous graphene oxide membrane

NASA Astrophysics Data System (ADS)

Hosseini, Mostafa; Azamat, Jafar; Erfan-Niya, Hamid

2018-01-01

Molecular dynamics simulations were performed to investigate the water desalination performance of nanoporous graphene oxide (NPGO) membranes. The simulated systems consist of a NPGO as a membrane with a functionalized pore in its center immersed in an aqueous ionic solution and a graphene sheet as a barrier. The considered NPGO membranes are involved four types of pore with different size and chemistry. The results indicated that the NPGO membrane has effective efficiency in salt rejection as well as high performance in water flux. For all types of pore with the radius size of 2.9-4.5 Å, the NPGO shows salt rejection of >89%. Functional groups on the surface and edge of pores have a great effect on water flux. To precisely understand the effect of functional groups on the surface of nanostructured membranes, nanoporous graphene was simulated under the same condition for comparison. Hydrophilic groups on the surface make the NPGO as an ultra-permeable membrane. As a result, the obtained water flux for NPGO was about 77% greater than graphene. Also, it was found that the water flux of NPGO is 2-5 orders of magnitude greater than other existing reverse osmosis membranes. Therefore, the investigated systems can be recommended as a model for the water desalination.

Experimental measurements of the SP response to concentration and temperature gradients in sandstones with application to subsurface geophysical monitoring

NASA Astrophysics Data System (ADS)

Leinov, E.; Jackson, M. D.

2014-09-01

Exclusion-diffusion potentials arising from temperature gradients are widely neglected in self-potential (SP) surveys, despite the ubiquitous presence of temperature gradients in subsurface settings such as volcanoes and hot springs, geothermal fields, and oil reservoirs during production via water or steam injection. Likewise, with the exception of borehole SP logging, exclusion-diffusion potentials arising from concentration gradients are also neglected or, at best, it is assumed that the diffusion potential dominates. To better interpret these SP sources requires well-constrained measurements of the various coupling terms. We report measurements of thermoelectric and electrochemical exclusion-diffusion potentials across sandstones saturated with NaCl brine and find that electrode effects can dominate the measured voltage. After correcting for these, we find that Hittorf transport numbers are the same within experimental error regardless of whether ion transport occurs in response to temperature or concentration gradients over the range of NaCl concentration investigated that is typical of natural systems. Diffusion potentials dominate only if the pore throat radius is more than approximately 4000 times larger than the diffuse layer thickness. In fine-grained sandstones with small pore throat diameter, this condition is likely to be met only if the saturating brine is of relatively high salinity; thus, in many cases of interest to earth scientists, exclusion-diffusion potentials will comprise significant contributions from both ionic diffusion through, and ionic exclusion from, the pore space of the rock. However, in coarse-grained sandstones, or sandstones saturated with high-salinity brine, exclusion-diffusion potentials can be described using end-member models in which ionic exclusion is neglected. Exclusion-diffusion potentials in sandstones depend upon pore size and salinity in a complex way: they may be positive, negative, or zero depending upon sandstone rock texture (expressed here by the pore radius r) and salinity.

Permeability of volcanic rocks to gas and water

NASA Astrophysics Data System (ADS)

Heap, M. J.; Reuschlé, T.; Farquharson, J. I.; Baud, P.

2018-04-01

The phase (gas or liquid) of the fluids within a porous volcanic system varies in both time and space. Laboratory experiments have shown that gas and water permeabilities can differ for the same rock sample, but experiments are biased towards rocks that contain minerals that are expected react with the pore fluid (such as the reaction between liquid water and clay). We present here the first study that systematically compares the gas and water permeability of volcanic rocks. Our data show that permeabilities to argon gas and deionised water can differ by a factor between two and five in two volcanic rocks (basalt and andesite) over a confining pressure range from 2 to 50 MPa. We suggest here that the microstructural elements that offer the shortest route through the sample-estimated to have an average radius 0.1-0.5 μm using the Klinkenberg slip factor-are accessible to gas, but restricted or inaccessible to water. We speculate that water adsorption on the surface of these thin microstructural elements, assumed here to be tortuous/rough microcracks, reduces their effective radius and/or prevents access. These data have important implications for fluid flow and therefore the distribution and build-up of pore pressure within volcanic systems.

Neutron Scattering Measurements of Carbon Dioxide Adsorption in Pores within the Marcellus Shale: Implications for Sequestration.

PubMed

Stefanopoulos, Konstantinos L; Youngs, Tristan G A; Sakurovs, Richard; Ruppert, Leslie F; Bahadur, Jitendra; Melnichenko, Yuri B

2017-06-06

Shale is an increasingly viable source of natural gas and a potential candidate for geologic CO 2 sequestration. Understanding the gas adsorption behavior on shale is necessary for the design of optimal gas recovery and sequestration projects. In the present study neutron diffraction and small-angle neutron scattering measurements of adsorbed CO 2 in Marcellus Shale samples were conducted on the Near and InterMediate Range Order Diffractometer (NIMROD) at the ISIS Pulsed Neutron and Muon Source, STFC Rutherford Appleton Laboratory along an adsorption isotherm of 22 °C and pressures of 25 and 40 bar. Additional measurements were conducted at approximately 22 and 60 °C at the same pressures on the General-Purpose Small-Angle Neutron Scattering (GP-SANS) instrument at Oak Ridge National Laboratory. The structures investigated (pores) for CO 2 adsorption range in size from Å level to ∼50 nm. The results indicate that, using the conditions investigated densification or condensation effects occurred in all accessible pores. The data suggest that at 22 °C the CO 2 has liquid-like properties when confined in pores of around 1 nm radius at pressures as low as 25 bar. Many of the 2.5 nm pores, 70% of 2 nm pores, most of the <1 nm pores, and all pores <0.25 nm, are inaccessible or closed to CO 2 , suggesting that despite the vast numbers of micropores in shale, the micropores will be unavailable for storage for geologic CO 2 sequestration.

Micro-computed tomography pore-scale study of flow in porous media: Effect of voxel resolution

NASA Astrophysics Data System (ADS)

Shah, S. M.; Gray, F.; Crawshaw, J. P.; Boek, E. S.

2016-09-01

A fundamental understanding of flow in porous media at the pore-scale is necessary to be able to upscale average displacement processes from core to reservoir scale. The study of fluid flow in porous media at the pore-scale consists of two key procedures: Imaging - reconstruction of three-dimensional (3D) pore space images; and modelling such as with single and two-phase flow simulations with Lattice-Boltzmann (LB) or Pore-Network (PN) Modelling. Here we analyse pore-scale results to predict petrophysical properties such as porosity, single-phase permeability and multi-phase properties at different length scales. The fundamental issue is to understand the image resolution dependency of transport properties, in order to up-scale the flow physics from pore to core scale. In this work, we use a high resolution micro-computed tomography (micro-CT) scanner to image and reconstruct three dimensional pore-scale images of five sandstones (Bentheimer, Berea, Clashach, Doddington and Stainton) and five complex carbonates (Ketton, Estaillades, Middle Eastern sample 3, Middle Eastern sample 5 and Indiana Limestone 1) at four different voxel resolutions (4.4 μm, 6.2 μm, 8.3 μm and 10.2 μm), scanning the same physical field of view. Implementing three phase segmentation (macro-pore phase, intermediate phase and grain phase) on pore-scale images helps to understand the importance of connected macro-porosity in the fluid flow for the samples studied. We then compute the petrophysical properties for all the samples using PN and LB simulations in order to study the influence of voxel resolution on petrophysical properties. We then introduce a numerical coarsening scheme which is used to coarsen a high voxel resolution image (4.4 μm) to lower resolutions (6.2 μm, 8.3 μm and 10.2 μm) and study the impact of coarsening data on macroscopic and multi-phase properties. Numerical coarsening of high resolution data is found to be superior to using a lower resolution scan because it avoids the problem of partial volume effects and reduces the scaling effect by preserving the pore-space properties influencing the transport properties. This is evidently compared in this study by predicting several pore network properties such as number of pores and throats, average pore and throat radius and coordination number for both scan based analysis and numerical coarsened data.

Electrophoretic and Electrolytic Deposition of Ceramic Particles on Porous Substrates

DTIC Science & Technology

1990-08-30

hydrodynamic drag force exerted on the particle due to the electroosmotic flow of the solvent inside the pore, the electrophoretic force exerted on the...8217 - electrophoretic velocity UN - electroosmotic velocity b - pore mean radius D - diffusion coefficient k - local deposition rate Large Peclet numbers and small...experimentally as the charge is acquired spontaneously on mixing the particles with the solvent and it may be reversed upon addition ot ionic compounds. The

Electrochemical Separation, Pumping, and Storage of Hydrogen or Oxygen into Nanocapillaries Via High Pressure MEA Seals

DTIC Science & Technology

2015-10-13

Fabrication (3) Integrate Membrane & (4) Fill with Hydrogen Shaped Al Aluminum Oxide Nanocapillary Array CNT Coated Pore Wall Complete Gas Storage...nanocapillary arrays are produced through aluminum anodization . The nanocapillary arrays are capped with either a PEM or an alkaline (anion) exchange...24,600 psi)  Circumferential Stress  Proportional to  Pore radius  Wall thickness Aluminum AAO AAO /CNT Nanocapillary Array (Not to scale

Lipid intermediates in membrane fusion: formation, structure, and decay of hemifusion diaphragm.

PubMed

Kozlovsky, Yonathan; Chernomordik, Leonid V; Kozlov, Michael M

2002-11-01

Lipid bilayer fusion is thought to involve formation of a local hemifusion connection, referred to as a fusion stalk. The subsequent fusion stages leading to the opening of a fusion pore remain unknown. The earliest fusion pore could represent a bilayer connection between the membranes and could be formed directly from the stalk. Alternatively, fusion pore can form in a single bilayer, referred to as hemifusion diaphragm (HD), generated by stalk expansion. To analyze the plausibility of stalk expansion, we studied the pathway of hemifusion theoretically, using a recently developed elastic model. We show that the stalk has a tendency to expand into an HD for lipids with sufficiently negative spontaneous splay, (~)J(s)< 0. For different experimentally relevant membrane configurations we find two characteristic values of the spontaneous splay. (~)J*(s) and (~)J**(s), determining HD dimension. The HD is predicted to have a finite equilibrium radius provided that the spontaneous splay is in the range (~)J**(s)< (~)J(s)<(~)J*(s), and to expand infinitely for (~)J(s)<(~)J**(s). In the case of common lipids, which do not fuse spontaneously, an HD forms only under action of an external force pulling the diaphragm rim apart. We calculate the dependence of the HD radius on this force. To address the mechanism of fusion pore formation, we analyze the distribution of the lateral tension emerging in the HD due to the establishment of lateral equilibrium between the deformed and relaxed portions of lipid monolayers. We show that this tension concentrates along the HD rim and reaches high values sufficient to rupture the bilayer and form the fusion pore. Our analysis supports the hypothesis that transition from a hemifusion to a fusion pore involves radial expansion of the stalk.

The Force Exerted by the Membrane Potential During Protein Import into the Mitochondrial Matrix

NASA Technical Reports Server (NTRS)

Shariff, Karim; Ghosal, Sandip; Matouschek, Andreas

2002-01-01

The electrostatic force exerted on a targeting sequence by the electrical potential across the inner mitochondrial membrane is calculated and found to vary from 1.4 pN to 2.2 pN (per unit elementary charge) as the radius of the inner membrane pore (assumed aqueous) is varied from 12 to 6.5 Angstroms, its measured range. Since the pore is not very much wider than the distance between water molecules, the full shielding effect of water may not be present; the extreme case of a nonaqueous pore gives a force of 3.1 pN per unit charge, which represents an upper limit. When applied to mitochondrial import experiments on the protein harness, these results imply that a force of 11 plus or minus 4 pN is sufficient to catalyze the unfolding of harness during import. Comparison of these results with unfolding forces measured using atomic force microscopy suggests that the two are not inconsistent.

Unidirectional Fast Growth and Forced Jumping of Stretched Droplets on Nanostructured Microporous Surfaces.

PubMed

Aili, Abulimiti; Li, Hongxia; Alhosani, Mohamed H; Zhang, TieJun

2016-08-24

Superhydrophobic nanostructured surfaces have demonstrated outstanding capability in energy and water applications by promoting dropwise condensation, where fast droplet growth and efficient condensate removal are two key parameters. However, these parameters remain contradictory. Although efficient droplet removal is easily obtained through coalescence jumping on uniform superhydrophobic surfaces, simultaneously achieving fast droplet growth is still challenging. Also, on such surfaces droplets can grow to larger sizes without restriction if there is no coalescence. In this work, we show that superhydrophobic nanostructured microporous surfaces can manipulate the droplet growth and jumping. Microporous surface morphology effectively enhances the growth of droplets in pores owing to large solid-liquid contact area. At low supersaturations, the upward growth rate (1-1.5 μm/s) of these droplets in pores is observed to be around 15-25 times that of the droplets outside the pores. Meanwhile, their top curvature radius increases relatively slowly (∼0.25 μm/s) due to pore confinement, which results in a highly stretched droplet surface. We also observed forced jumping of stretched droplets in pores either through coalescence with spherical droplets outside pores or through self-pulling without coalescence. Both experimental observation and theoretical modeling reveal that excess surface free energy stored in the stretched droplet surface and micropore confinement are responsible for this pore-scale-forced jumping. These findings reveal the insightful physics of stretched droplet dynamics and offer guidelines for the design and fabrication of novel super-repellent surfaces with microporous morphology.

Preparation of TiO2-SiO2 via sol-gel method: Effect of Silica precursor on Catalytic and Photocatalytic properties

NASA Astrophysics Data System (ADS)

Fatimah, I.

2017-02-01

TiO2-SiO2have been synthesized by the sol-gel method from titanium isopropoxide and varied silica precursors: tetraethyl orthosilicate and tetra methyl ortho silicate. To study the effect of the precursor, prepared materials were characterized by X-ray diffraction, scanning electron microscopy, Diffuse Reflectance UV-vis optical absorption, and also gas sorption analysis. XRD patterns showed the formation of TiO2 anatase in the TiO2-SiO2 composite with different crystallite size from different silica precursor as well as the different surface morphology. The DRUV-vis absorption spectra exhibit similar band gap energy correspond to 3.21eV value while the surface area, pore volume and pore radius of the materials seems to be affected by the precursor. The higher specific surface area contributes to give the enhanced activity in phenol hydroxylation and methylene blue photodegradation.

Assessing the Increase in Specific Surface Area for Electrospun Fibrous Network due to Pore Induction.

PubMed

Katsogiannis, Konstantinos Alexandros G; Vladisavljević, Goran T; Georgiadou, Stella; Rahmani, Ramin

2016-10-26

The effect of pore induction on increasing electrospun fibrous network specific surface area was investigated in this study. Theoretical models based on the available surface area of the fibrous network and exclusion of the surface area lost due to fiber-to-fiber contacts were developed. The models for calculation of the excluded area are based on Hertzian, Derjaguin-Muller-Toporov (DMT), and Johnson-Kendall-Roberts (JKR) contact models. Overall, the theoretical models correlated the network specific surface area to the material properties including density, surface tension, Young's modulus, Poisson's ratio, as well as network physical properties, such as density and geometrical characteristics including fiber radius, fiber aspect ratio and network thickness. Pore induction proved to increase the network specific surface area up to 52%, compared to the maximum surface area that could be achieved by nonporous fiber network with the same physical properties and geometrical characteristics. The model based on Johnson-Kendall-Roberts contact model describes accurately the fiber-to-fiber contact area under the experimental conditions used for pore generation. The experimental results and the theoretical model based on Johnson-Kendall-Roberts contact model show that the increase in network surface area due to pore induction can reach to up to 58%.

Optimal design of porous structures for the fastest liquid absorption.

PubMed

Shou, Dahua; Ye, Lin; Fan, Jintu; Fu, Kunkun

2014-01-14

Porous materials engineered for rapid liquid absorption are useful in many applications, including oil recovery, spacecraft life-support systems, moisture management fabrics, medical wound dressings, and microfluidic devices. Dynamic absorption in capillary tubes and porous media is driven by the capillary pressure, which is inversely proportional to the pore size. On the other hand, the permeability of porous materials scales with the square of the pore size. The dynamic competition between these two superimposed mechanisms for liquid absorption through a heterogeneous porous structure may lead to an overall minimum absorption time. In this work, we explore liquid absorption in two different heterogeneous porous structures [three-dimensional (3D) circular tubes and porous layers], which are composed of two sections with variations in radius/porosity and height. The absorption time to fill the voids of porous constructs is expressed as a function of radius/porosity and height of local sections, and the absorption process does not follow the classic Washburn's law. Under given height and void volume, these two-section structures with a negative gradient of radius/porosity against the absorption direction are shown to have faster absorption rates than control samples with uniform radius/porosity. In particular, optimal structural parameters, including radius/porosity and height, are found that account for the minimum absorption time. The liquid absorption in the optimized porous structure is up to 38% faster than in a control sample. The results obtained can be used a priori for the design of porous structures with excellent liquid management property in various fields.

What experiments on pinned nanobubbles can tell about the critical nucleus for bubble nucleation.

PubMed

Xiao, Qianxiang; Liu, Yawei; Guo, Zhenjiang; Liu, Zhiping; Frenkel, Daan; Dobnikar, Jure; Zhang, Xianren

2017-12-22

The process of homogeneous bubble nucleation is almost impossible to probe experimentally, except near the critical point or for liquids under large negative tension. Elsewhere in the phase diagram, the bubble nucleation barrier is so high as to be effectively insurmountable. Consequently, there is a severe lack of experimental studies of homogenous bubble nucleation under conditions of practical importance (e.g., cavitation). Here we use a simple geometric relation to show that we can obtain information about the homogeneous nucleation process from Molecular Dynamics studies of bubble formation in solvophobic nanopores on a solid surface. The free energy of pinned nanobubbles has two extrema as a function of volume: one state corresponds to a free-energy maximum ("the critical nucleus"), the other corresponds to a free-energy minimum (the metastable, pinned nanobubble). Provided that the surface tension does not depend on nanobubble curvature, the radius of the curvature of the metastable surface nanobubble is independent of the radius of the pore and is equal to the radius of the critical nucleus in homogenous bubble nucleation. This observation opens the way to probe the parameters that determine homogeneous bubble nucleation under experimentally accessible conditions, e.g. with AFM studies of metastable nanobubbles. Our theoretical analysis also indicates that a surface with pores of different sizes can be used to determine the curvature corrections to the surface tension. Our conclusions are not limited to bubble nucleation but suggest that a similar approach could be used to probe the structure of critical nuclei in crystal nucleation.

Characterization of macropore structure of Malan loess in NW China based on 3D pipe models constructed by using computed tomography technology

NASA Astrophysics Data System (ADS)

Li, Yanrong; He, Shengdi; Deng, Xiaohong; Xu, Yongxin

2018-04-01

Malan loess is a grayish yellow or brownish yellow, clastic, highly porous and brittle late Quaternary sediment formed by the accumulation of windblown dust. The present-day pore structure of Malan loess is crucial for understanding the loessification process in history, loess strengths and mechanical behavior. This study employed a modern computed tomography (CT) device to scan Malan loess samples, which were obtained from the east part of the Loess Plateau of China. A sophisticated and efficient workflow for processing the CT images and constructing 3D pore models was established by selecting and programming relevant mathematical algorithms in MATLAB, such as the maximum entropy method, medial axis method, and node recognition algorithm. Individual pipes within the Malan loess were identified and constructed by partitioning and recombining links in the 3D pore model. The macropore structure of Malan loess was then depicted using quantitative parameters. The parameters derived from 2D images of CT scanning included equivalent radius, length and aspect ratio of pores, porosity, and pore distribution entropy, whereas those derived from the constructed 3D structure models included porosity, coordination number, node density, pipe radius, length, length density, dip angle, and dip direction. The analysis of these parameters revealed that Malan loess is a strongly anisotropic geomaterial with a dense and complex network of pores and pipes. The pores discovered on horizontal images, perpendicular to the vertical direction, were round and relatively uniform in shape and size and evenly distributed, whereas the pores discovered on vertical images varied in shape and size and were distributed in clusters. The pores showed good connectivity in vertical direction and formed vertically aligned pipes but displayed weak connectivity in horizontal directions. The pipes in vertical direction were thick, long, and straight compared with those in horizontal directions. These results were in good agreement with both numerical simulation and laboratory permeability tests, which indicate that Malan loess is more permeable in the vertical direction than in the horizontal directions.

Neutron scattering measurements of carbon dioxide adsorption in pores within the Marcellus Shale: Implications for sequestration

USGS Publications Warehouse

Stefanopoulos, Konstantinos L.; Youngs, Tristan G. A.; Sakurovs, Richard; Ruppert, Leslie F.; Bahadur, Jitendra; Melnichenko, Yuri B.

2017-01-01

Shale is an increasingly viable source of natural gas and a potential candidate for geologic CO2sequestration. Understanding the gas adsorption behavior on shale is necessary for the design of optimal gas recovery and sequestration projects. In the present study neutron diffraction and small-angle neutron scattering measurements of adsorbed CO2 in Marcellus Shale samples were conducted on the Near and InterMediate Range Order Diffractometer (NIMROD) at the ISIS Pulsed Neutron and Muon Source, STFC Rutherford Appleton Laboratory along an adsorption isotherm of 22 °C and pressures of 25 and 40 bar. Additional measurements were conducted at approximately 22 and 60 °C at the same pressures on the General-Purpose Small-Angle Neutron Scattering (GP-SANS) instrument at Oak Ridge National Laboratory. The structures investigated (pores) for CO2 adsorption range in size from Å level to ∼50 nm. The results indicate that, using the conditions investigated densification or condensation effects occurred in all accessible pores. The data suggest that at 22 °C the CO2 has liquid-like properties when confined in pores of around 1 nm radius at pressures as low as 25 bar. Many of the 2.5 nm pores, 70% of 2 nm pores, most of the <1 nm pores, and all pores <0.25 nm, are inaccessible or closed to CO2, suggesting that despite the vast numbers of micropores in shale, the micropores will be unavailable for storage for geologic CO2 sequestration.

Pore radius fine tuning of a silica matrix (MCM-41) based on the synthesis of alumina nanolayers with different thicknesses by atomic layer deposition

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

Zemtsova, Elena G., E-mail: ezimtsova@yandex.ru; Arbenin, Andrei Yu.; Plotnikov, Alexander F.

2015-03-15

The authors investigated a new approach to modify the surface of the mesoporous silica matrix MCM-41. This approach is based on manipulating the chemical composition of the porous surface layer and also on fine tuning the pore radius by applying the atomic layer deposition (ALD) technique. The synthesis of alumina nanolayers was performed on the planar and the porous matrix (MCM-41) by the ALD technique using aluminum tri-sec-butoxide and water as precursors. The authors show that one cycle on silicon, using aluminum tri-sec-butoxide and water as precursors, results in a 1–1.2 Å increase in alumina nanolayer thickness. This is comparable tomore » the increase in thickness per cycle for other precursors such as trimethylaluminum and aluminum chloride. The authors show that the synthesis of an Al{sub 2}O{sub 3} nanolayer on the pore surface of the mesoporous silica matrix MCM-41 by the ALD technique results in a regular change in the porous structure of the samples. The specific porosity (ml/g) of the MCM-41 was 0.95 and that of MCM-41 after 5 ALD cycles was 0.39. The pore diameter (nm) of MCM-41 was 3.3 and that of MCM-41 after 5 ALD cycles was 2.3.« less

Controlled nucleation in freeze-drying: effects on pore size in the dried product layer, mass transfer resistance, and primary drying rate.

PubMed

Konstantinidis, Alex K; Kuu, Wei; Otten, Lori; Nail, Steven L; Sever, Robert R

2011-08-01

A novel and scalable method has been developed to enable control of the ice nucleation step for the freezing process during lyophilization. This method manipulates the chamber pressure of the freeze dryer to simultaneously induce nucleation in all product vials at a desired temperature. The effects of controlled nucleation on the drying rate of various formulations including 5% (w/w) mannitol, 5% (w/w) sucrose, and a mixture of 3% (w/w) mannitol and 2% (w/w) sucrose were studied. For a 5% (w/w) mannitol, uncontrolled ice nucleation occurred randomly at product temperatures between -8.0°C and -15.9°C as the vials were cooled to -40°C. Controlled ice nucleation was achieved at product temperatures between -2.3°C and -3.7°C. The effect of nucleation control on the effective pore radius (r(e) ) of the cake was determined from the product temperature profiles using a pore diffusion model in combination with a nonlinear parameter estimation approach reported earlier. Results show that the value of r(e) for 5% (w/w) mannitol was enlarged from 13 to 27 μm by uniformly inducing nucleation at higher temperatures. Applying the resistance parameters obtained from the pore diffusion model for 5% (w/w) mannitol, optimized cycles were theoretically generated and experimentally tested, resulting in a 41% reduction in primary drying time. Copyright © 2011 Wiley-Liss, Inc.

Anion-Cation Permeability Correlates with Hydrated Counterion Size in Glycine Receptor Channels

PubMed Central

Sugiharto, Silas; Lewis, Trevor M.; Moorhouse, Andrew J.; Schofield, Peter R.; Barry, Peter H.

2008-01-01

The functional role of ligand-gated ion channels depends critically on whether they are predominantly permeable to cations or anions. However, these, and other ion channels, are not perfectly selective, allowing some counterions to also permeate. To address the mechanisms by which such counterion permeation occurs, we measured the anion-cation permeabilities of different alkali cations, Li+ Na+, and Cs+, relative to either Cl− or \\documentclass[10pt]{article} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{pmc} \\usepackage[Euler]{upgreek} \\pagestyle{empty} \\oddsidemargin -1.0in \\begin{document} \\begin{equation*}{\\mathrm{NO}}_{3}^{-}\\end{equation*}\\end{document} anions in both a wild-type glycine receptor channel (GlyR) and a mutant GlyR with a wider pore diameter. We hypothesized and showed that counterion permeation in anionic channels correlated inversely with an equivalent or effective hydrated size of the cation relative to the channel pore radius, with larger counterion permeabilities being observed in the wider pore channel. We also showed that the anion component of conductance was independent of the nature of the cation. We suggest that anions and counterion cations can permeate through the pore as neutral ion pairs, to allow the cations to overcome the large energy barriers resulting from the positively charged selectivity filter in small GlyR channels, with the permeability of such ion pairs being dependent on the effective hydrated diameter of the ion pair relative to the pore diameter. PMID:18708455

Pore dimensions and the role of occupancy in unitary conductance of Shaker K channels

PubMed Central

Díaz-Franulic, Ignacio; Sepúlveda, Romina V.; Navarro-Quezada, Nieves; González-Nilo, Fernando

2015-01-01

K channels mediate the selective passage of K+ across the plasma membrane by means of intimate interactions with ions at the pore selectivity filter located near the external face. Despite high conservation of the selectivity filter, the K+ transport properties of different K channels vary widely, with the unitary conductance spanning a range of over two orders of magnitude. Mutation of Pro475, a residue located at the cytoplasmic entrance of the pore of the small-intermediate conductance K channel Shaker (Pro475Asp (P475D) or Pro475Gln (P475Q)), increases Shaker’s reported ∼20-pS conductance by approximately six- and approximately threefold, respectively, without any detectable effect on its selectivity. These findings suggest that the structural determinants underlying the diversity of K channel conductance are distinct from the selectivity filter, making P475D and P475Q excellent probes to identify key determinants of the K channel unitary conductance. By measuring diffusion-limited unitary outward currents after unilateral addition of 2 M sucrose to the internal solution to increase its viscosity, we estimated a pore internal radius of capture of ∼0.82 Å for all three Shaker variants (wild type, P475D, and P475Q). This estimate is consistent with the internal entrance of the Kv1.2/2.1 structure if the effective radius of hydrated K+ is set to ∼4 Å. Unilateral exposure to sucrose allowed us to estimate the internal and external access resistances together with that of the inner pore. We determined that Shaker resistance resides mainly in the inner cavity, whereas only ∼8% resides in the selectivity filter. To reduce the inner resistance, we introduced additional aspartate residues into the internal vestibule to favor ion occupancy. No aspartate addition raised the maximum unitary conductance, measured at saturating [K+], beyond that of P475D, suggesting an ∼200-pS conductance ceiling for Shaker. This value is approximately one third of the maximum conductance of the large conductance K (BK) channel (the K channel of highest conductance), reducing the energy gap between their K+ transport rates to ∼1 kT. Thus, although Shaker’s pore sustains ion translocation as the BK channel’s does, higher energetic costs of ion stabilization or higher friction with the ion’s rigid hydration cage in its narrower aqueous cavity may entail higher resistance. PMID:26216859

Continuum theory of lipid bilayer electrostatics.

PubMed

Gerami, R; Bruinsma, R F

2009-10-01

In order to address the concerns about the applicability of the continuum theory of lipid bilayers, we generalize it by including a film with uniaxial dielectric properties representing the polar head groups of the lipid molecules. As a function of the in-plane dielectric constant κ|| of this film, we encounter a sequence of different phases. For low values of κ||, transmembrane pores have aqueous cores, ions are repelled by the bilayer, and the ion permeability of the bilayer is independent of the ion radius as in the existing theory. For increasing κ||, a threshold is reached--of the order of the dielectric constant of water--beyond which ions are attracted to the lipid bilayer by generic polarization attraction, transmembrane pores collapse, and the ion permeability becomes sensitively dependent on the ion radius, results that are more consistent with experimental and numerical studies of the interaction of ions with neutral lipid bilayers. At even higher values of κ||, the ion/pore complexes are predicted to condense in the form of extended arrays. The generalized continuum theory can be tested quantitatively by studies of the ion permeability as a function of salt concentration and co-surfactant concentration.

Nanoporous structures on ZnO thin films

NASA Astrophysics Data System (ADS)

Gür, Emre; Kılıç, Bayram; Coşkun, C.; Tüzemen, S.; Bayrakçeken, Fatma

2010-01-01

Porous structures were formed on ZnO thin films which were grown by an electrochemical deposition (ECD) method. The growth processes were carried out in a solution of dimethylsulfoxide (DMSO) zinc perchlorate, Zn(ClO 4) 2, at 120 ∘C on indium tin oxide (ITO) substrates. Optical and structural characterizations of electrochemically grown ZnO thin films have shown that the films possess high (0002) c-axis orientation, high nucleation, high intensity and low FWHM of UV emission at the band edge region and a sharp UV absorption edge. Nanoporous structures were formed via self-assembled monolayers (SAMs) of hexanethiol (C 6SH) and dodecanethiol (C 12SH). Scanning electron microscope (SEM) measurements showed that while a nanoporous structure (pore radius 20 nm) is formed on the ZnO thin films by hexanathiol solution, a macroporous structure (pore radius 360 nm) is formed by dodecanethiol solution. No significant variation is observed in X-ray diffraction (XRD) measurements on the ZnO thin films after pore formation. However, photoluminescence (PL) measurements showed that green emission is observed as the dominant emission for the macroporous structures, while no variation is observed for the thin film nanoporous ZnO sample.

Pore structure characterization of Chang-7 tight sandstone using MICP combined with N2GA techniques and its geological control factors

NASA Astrophysics Data System (ADS)

Cao, Zhe; Liu, Guangdi; Zhan, Hongbin; Li, Chaozheng; You, Yuan; Yang, Chengyu; Jiang, Hang

2016-11-01

Understanding the pore networks of unconventional tight reservoirs such as tight sandstones and shales is crucial for extracting oil/gas from such reservoirs. Mercury injection capillary pressure (MICP) and N2 gas adsorption (N2GA) are performed to evaluate pore structure of Chang-7 tight sandstone. Thin section observation, scanning electron microscope, grain size analysis, mineral composition analysis, and porosity measurement are applied to investigate geological control factors of pore structure. Grain size is positively correlated with detrital mineral content and grain size standard deviation while negatively related to clay content. Detrital mineral content and grain size are positively correlated with porosity, pore throat radius and withdrawal efficiency and negatively related to capillary pressure and pore-to-throat size ratio; while interstitial material is negatively correlated with above mentioned factors. Well sorted sediments with high debris usually possess strong compaction resistance to preserve original pores. Although many inter-crystalline pores are produced in clay minerals, this type of pores is not the most important contributor to porosity. Besides this, pore shape determined by N2GA hysteresis loop is consistent with SEM observation on clay inter-crystalline pores while BJH pore volume is positively related with clay content, suggesting N2GA is suitable for describing clay inter-crystalline pores in tight sandstones.

Pore structure characterization of Chang-7 tight sandstone using MICP combined with N2GA techniques and its geological control factors

PubMed Central

Cao, Zhe; Liu, Guangdi; Zhan, Hongbin; Li, Chaozheng; You, Yuan; Yang, Chengyu; Jiang, Hang

2016-01-01

Understanding the pore networks of unconventional tight reservoirs such as tight sandstones and shales is crucial for extracting oil/gas from such reservoirs. Mercury injection capillary pressure (MICP) and N2 gas adsorption (N2GA) are performed to evaluate pore structure of Chang-7 tight sandstone. Thin section observation, scanning electron microscope, grain size analysis, mineral composition analysis, and porosity measurement are applied to investigate geological control factors of pore structure. Grain size is positively correlated with detrital mineral content and grain size standard deviation while negatively related to clay content. Detrital mineral content and grain size are positively correlated with porosity, pore throat radius and withdrawal efficiency and negatively related to capillary pressure and pore-to-throat size ratio; while interstitial material is negatively correlated with above mentioned factors. Well sorted sediments with high debris usually possess strong compaction resistance to preserve original pores. Although many inter-crystalline pores are produced in clay minerals, this type of pores is not the most important contributor to porosity. Besides this, pore shape determined by N2GA hysteresis loop is consistent with SEM observation on clay inter-crystalline pores while BJH pore volume is positively related with clay content, suggesting N2GA is suitable for describing clay inter-crystalline pores in tight sandstones. PMID:27830731

Compressible liquid flow in nano- or micro-sized circular tubes considering wall-liquid Lifshitz-van der Waals interaction

NASA Astrophysics Data System (ADS)

Zhang, Xueling; Zhu, Weiyao; Cai, Qiang; Shi, Yutao; Wu, Xuehong; Jin, Tingxiang; Yang, Lianzhi; Song, Hongqing

2018-06-01

Although nano- and micro-scale phenomena for fluid flows are ubiquitous in tight oil reservoirs or in nano- or micro-sized channels, the mechanisms behind them remain unclear. In this study, we consider the wall-liquid interaction to investigate the flow mechanisms behind a compressible liquid flow in nano- or micro-sized circular tubes. We assume that the liquid is attracted by the wall surface primarily by the Lifshitz-van der Waals (LW) force, whereas electrostatic forces are negligible. The long-range LW force is thus introduced into the Navier-Stokes equations. The nonlinear equations of motion are decoupled by using the hydrodynamic vorticity-stream functions, from which an approximate analytical perturbation solution is obtained. The proposed model considers the LW force and liquid compressibility to obtain the velocity and pressure fields, which are consistent with experimentally observed micro-size effects. A smaller tube radius implies smaller dimensionless velocity, and when the tube radius decreases to a certain radius Rm, a fluid no longer flows, where Rm is the lower limit of the movable-fluid radius. The radius Rm is calculated, and the results are consistent with previous experimental results. These results reveal that micro-size effects are caused by liquid compressibility and wall-liquid interactions, such as the LW force, for a liquid flowing in nano- or micro-sized channels or pores. The attractive LW force enhances the flow's radial resistance, and the liquid compressibility transmits the radial resistance to the streaming direction via volume deformation, thereby decreasing the streaming velocity.

1D and 2D diffusion pore imaging on a preclinical MR system using adaptive rephasing: Feasibility and pulse sequence comparison

NASA Astrophysics Data System (ADS)

Bertleff, Marco; Domsch, Sebastian; Laun, Frederik B.; Kuder, Tristan A.; Schad, Lothar R.

2017-05-01

Diffusion pore imaging (DPI) has recently been proposed as a means to acquire images of the average pore shape in an image voxel or region of interest. The highly asymmetric gradient scheme of its sequence makes it substantially demanding in terms of the hardware of the NMR system. The aim of this work is to show the feasibility of DPI on a preclinical 9.4 T animal scanner. Using water-filled capillaries with an inner radius of 10 μm, four different variants of the DPI sequence were compared in 1D and 2D measurements. The pulse sequences applied cover the basic implementation using one long and one temporally narrow gradient pulse, a CPMG-like variant with multiple refocusing RF pulses as well as two variants splitting up the long gradient and distributing it on either side of the refocusing pulse. Substantial differences between the methods were found in terms of signal-to-noise ratio, contrast, blurring, deviations from the expected results and sensitivity to gradient imperfections. Each of the tested sequences was found to produce characteristic gradient mismatches dependent on the absolute value, direction and sign of the applied q-value. Read gradients were applied to compensate these mismatches translating them into time shifts, which enabled 1D DPI yielding capillary radius estimations within the tolerances specified by the manufacturer. For a successful DPI application in 2D, a novel gradient amplitude adaption scheme was implemented to correct for the occurring time shifts. Using this adaption, higher conformity to the expected pore shape, reduced blurring and enhanced contrast were achieved. Images of the phantom's pore shape could be acquired with a nominal resolution of 2.2 μm.

Simulation of interdiffusion and voids growth based on cellular automata

NASA Astrophysics Data System (ADS)

Zhang, Fan; Zhang, Boyan; Zhang, Nan; Du, Haishun; Zhang, Xinhong

2017-02-01

In the interdiffusion of two solid-state materials, if the diffusion coefficients of the two materials are not the same, the interface of the two materials will shift to the material with the lower diffusion coefficient. This effect is known as the Kirkendall effect. The Kirkendall effect leads to Kirkendall porosity. The pores act as sinks for vacancies and become voids. In this paper, the movement of the Kirkendall plane at interdiffusion is simulated based on cellular automata. The number of vacancies, the critical radius of voids nucleation and the nucleation rate are analysed. The vacancies diffusion, vacancies aggregation and voids growth are also simulated based on cellular automata.

Simulations of skin barrier function: free energies of hydrophobic and hydrophilic transmembrane pores in ceramide bilayers.

PubMed

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

2008-11-15

Transmembrane pore formation is central to many biological processes such as ion transport, cell fusion, and viral infection. Furthermore, pore formation in the ceramide bilayers of the stratum corneum may be an important mechanism by which penetration enhancers such as dimethylsulfoxide (DMSO) weaken the barrier function of the skin. We have used the potential of mean constraint force (PMCF) method to calculate the free energy of pore formation in ceramide bilayers in both the innate gel phase and in the DMSO-induced fluidized state. Our simulations show that the fluid phase bilayers form archetypal water-filled hydrophilic pores similar to those observed in phospholipid bilayers. In contrast, the rigid gel-phase bilayers develop hydrophobic pores. At the relatively small pore diameters studied here, the hydrophobic pores are empty rather than filled with bulk water, suggesting that they do not compromise the barrier function of ceramide membranes. A phenomenological analysis suggests that these vapor pores are stable, below a critical radius, because the penalty of creating water-vapor and tail-vapor interfaces is lower than that of directly exposing the strongly hydrophobic tails to water. The PMCF free energy profile of the vapor pore supports this analysis. The simulations indicate that high DMSO concentrations drastically impair the barrier function of the skin by strongly reducing the free energy required for pore opening.

Simulations of Skin Barrier Function: Free Energies of Hydrophobic and Hydrophilic Transmembrane Pores in Ceramide Bilayers

PubMed Central

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

2008-01-01

Transmembrane pore formation is central to many biological processes such as ion transport, cell fusion, and viral infection. Furthermore, pore formation in the ceramide bilayers of the stratum corneum may be an important mechanism by which penetration enhancers such as dimethylsulfoxide (DMSO) weaken the barrier function of the skin. We have used the potential of mean constraint force (PMCF) method to calculate the free energy of pore formation in ceramide bilayers in both the innate gel phase and in the DMSO-induced fluidized state. Our simulations show that the fluid phase bilayers form archetypal water-filled hydrophilic pores similar to those observed in phospholipid bilayers. In contrast, the rigid gel-phase bilayers develop hydrophobic pores. At the relatively small pore diameters studied here, the hydrophobic pores are empty rather than filled with bulk water, suggesting that they do not compromise the barrier function of ceramide membranes. A phenomenological analysis suggests that these vapor pores are stable, below a critical radius, because the penalty of creating water-vapor and tail-vapor interfaces is lower than that of directly exposing the strongly hydrophobic tails to water. The PMCF free energy profile of the vapor pore supports this analysis. The simulations indicate that high DMSO concentrations drastically impair the barrier function of the skin by strongly reducing the free energy required for pore opening. PMID:18708461

Fluctuation of Ultrafiltration Coefficient of Hemodialysis Membrane During Reuse

NASA Astrophysics Data System (ADS)

Arif, Idam; Christin

2010-12-01

Hemodialysis treatment for patient with kidney failure is to regulate body fluid and to excrete waste products of metabolism. The patient blood and the dialyzing solution (dialysate) are flowed counter currently in a dialyzer to allow volume flux of fluid and diffusion of solutes from the blood to the dialysate through a semipermiable membrane. The volume flux of fluid depends on the hydrostatic and the osmotic pressure difference between the blood and the dialysate. It also depends on the membrane parameter that represents how the membrane allows the fluid and the solutes to move across as a result of the pressure difference, known as the ultrafiltration coefficient Kuf. The coefficient depends on the number and the radius of membrane pores for the movement of the fluids and the solutes across the membrane. The measured membrane ultrafiltration coefficient of reused dialyzer shows fluctuation between one uses to another without any significant trend of change. This indicates that the cleaning process carried out before reuse does not cause perfect removal of clots that happen in the previous use. Therefore the unblocked pores are forced to work hardly to obtain targeted volume flux in a certain time of treatment. This may increase the unblocked pore radius. Reuse is stopped when there is indication of blood leakage during the hemodialysis treatment.

Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.

PubMed

Chen, Qiang; Kinde, Monica N; Arjunan, Palaniappa; Wells, Marta M; Cohen, Aina E; Xu, Yan; Tang, Pei

2015-09-08

Pentameric ligand-gated ion channels (pLGICs) are targets of general anesthetics, but molecular mechanisms underlying anesthetic action remain debatable. We found that ELIC, a pLGIC from Erwinia chrysanthemi, can be functionally inhibited by isoflurane and other anesthetics. Structures of ELIC co-crystallized with isoflurane in the absence or presence of an agonist revealed double isoflurane occupancies inside the pore near T237(6') and A244(13'). A pore-radius contraction near the extracellular entrance was observed upon isoflurane binding. Electrophysiology measurements with a single-point mutation at position 6' or 13' support the notion that binding at these sites renders isoflurane inhibition. Molecular dynamics simulations suggested that isoflurane binding was more stable in the resting than in a desensitized pore conformation. This study presents compelling evidence for a direct pore-binding mechanism of isoflurane inhibition, which has a general implication for inhibitory action of general anesthetics on pLGICs.

Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC

PubMed Central

Chen, Qiang; Kinde, Monica N.; Arjunan, Palaniappa; Wells, Marta M.; Cohen, Aina E.; Xu, Yan; Tang, Pei

2015-01-01

Pentameric ligand-gated ion channels (pLGICs) are targets of general anesthetics, but molecular mechanisms underlying anesthetic action remain debatable. We found that ELIC, a pLGIC from Erwinia chrysanthemi, can be functionally inhibited by isoflurane and other anesthetics. Structures of ELIC co-crystallized with isoflurane in the absence or presence of an agonist revealed double isoflurane occupancies inside the pore near T237(6′) and A244(13′). A pore-radius contraction near the extracellular entrance was observed upon isoflurane binding. Electrophysiology measurements with a single-point mutation at position 6′ or 13′ support the notion that binding at these sites renders isoflurane inhibition. Molecular dynamics simulations suggested that isoflurane binding was more stable in the resting than in a desensitized pore conformation. This study presents compelling evidence for a direct pore-binding mechanism of isoflurane inhibition, which has a general implication for inhibitory action of general anesthetics on pLGICs. PMID:26346220

Membrane rejection of nitrogen compounds

NASA Technical Reports Server (NTRS)

Lee, S.; Lueptow, R. M.

2001-01-01

Rejection characteristics of nitrogen compounds were examined for reverse osmosis, nanofiltration, and low-pressure reverse osmosis membranes. The rejection of nitrogen compounds is explained by integrating experimental results with calculations using the extended Nernst-Planck model coupled with a steric hindrance model. The molecular weight and chemical structure of nitrogen compounds appear to be less important in determining rejection than electrostatic properties. The rejection is greatest when the Donnan potential exceeds 0.05 V or when the ratio of the solute radius to the pore radius is greater than 0.8. The transport of solute in the pore is dominated by diffusion, although convective transport is significant for organic nitrogen compounds. Electromigration contributes negligibly to the overall solute transport in the membrane. Urea, a small organic compound, has lower rejection than ionic compounds such as ammonium, nitrate, and nitrite, indicating the critical role of electrostatic interaction in rejection. This suggests that better treatment efficiency for organic nitrogen compounds can be obtained after ammonification of urea.

Transmembrane Pores Formed by Human Antimicrobial Peptide LL-37

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

Qian, Shuo

Human LL-37 is a multifunctional cathelicidin peptide that has shown a wide spectrum of antimicrobial activity by permeabilizing microbial membranes similar to other antimicrobial peptides; however, its molecular mechanism has not been clarified. Two independent experiments revealed LL-37 bound to membranes in the {alpha}-helical form with the axis lying in the plane of membrane. This led to the conclusion that membrane permeabilization by LL-37 is a nonpore carpet-like mechanism of action. Here we report the detection of transmembrane pores induced by LL-37. The pore formation coincided with LL-37 helices aligning approximately normal to the plane of the membrane. We observedmore » an unusual phenomenon of LL-37 embedded in stacked membranes, which are commonly used in peptide orientation studies. The membrane-bound LL-37 was found in the normal orientation only when the membrane spacing in the multilayers exceeded its fully hydrated value. This was achieved by swelling the stacked membranes with excessive water to a swollen state. The transmembrane pores were detected and investigated in swollen states by means of oriented circular dichroism, neutron in-plane scattering, and x-ray lamellar diffraction. The results are consistent with the effect of LL-37 on giant unilamellar vesicles. The detected pores had a water channel of radius 2333 {angstrom}. The molecular mechanism of pore formation by LL-37 is consistent with the two-state model exhibited by magainin and other small pore-forming peptides. The discovery that peptide-membrane interactions in swollen states are different from those in less hydrated states may have implications for other large membrane-active peptides and proteins studied in stacked membranes.« less

The pressure-dependence of the size of extruded vesicles.

PubMed

Patty, Philipus J; Frisken, Barbara J

2003-08-01

Variations in the size of vesicles formed by extrusion through small pores are discussed in terms of a simple model. Our model predicts that the radius should decrease as the square root of the applied pressure, consistent with data for vesicles extruded under various conditions. The model also predicts dependencies on the pore size used and on the lysis tension of the vesicles being extruded that are consistent with our data. The pore size was varied by using track-etched polycarbonate membranes with average pore diameters ranging from 50 to 200 nm. To vary the lysis tension, vesicles made from POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine), mixtures of POPC and cholesterol, and mixtures of POPC and C(16)-ceramide were studied. The lysis tension, as measured by an extrusion-based technique, of POPC:cholesterol vesicles is higher than that of pure POPC vesicles whereas POPC:ceramide vesicles have lower lysis tensions than POPC vesicles.

Modification of Lightweight Aggregates' Microstructure by Used Motor Oil Addition.

PubMed

Franus, Małgorzata; Jozefaciuk, Grzegorz; Bandura, Lidia; Lamorski, Krzysztof; Hajnos, Mieczysław; Franus, Wojciech

2016-10-18

An admixture of lightweight aggregate substrates (beidellitic clay containing 10 wt % of natural clinoptilolite or Na-P1 zeolite) with used motor oil (1 wt %-8 wt %) caused marked changes in the aggregates' microstructure, measured by a combination of mercury porosimetry (MIP), microtomography (MT), and scanning electron microscopy. Maximum porosity was produced at low (1%-2%) oil concentrations and it dropped at higher concentrations, opposite to the aggregates' bulk density. Average pore radii, measured by MIP, decreased with an increasing oil concentration, whereas larger (MT) pore sizes tended to increase. Fractal dimension, derived from MIP data, changed similarly to the MIP pore radius, while that derived from MT remained unaltered. Solid phase density, measured by helium pycnometry, initially dropped slightly and then increased with the amount of oil added, which was most probably connected to changes in the formation of extremely small closed pores that were not available for He atoms.

Modification of Lightweight Aggregates’ Microstructure by Used Motor Oil Addition

PubMed Central

Franus, Małgorzata; Jozefaciuk, Grzegorz; Bandura, Lidia; Lamorski, Krzysztof; Hajnos, Mieczysław; Franus, Wojciech

2016-01-01

An admixture of lightweight aggregate substrates (beidellitic clay containing 10 wt % of natural clinoptilolite or Na-P1 zeolite) with used motor oil (1 wt %–8 wt %) caused marked changes in the aggregates’ microstructure, measured by a combination of mercury porosimetry (MIP), microtomography (MT), and scanning electron microscopy. Maximum porosity was produced at low (1%–2%) oil concentrations and it dropped at higher concentrations, opposite to the aggregates’ bulk density. Average pore radii, measured by MIP, decreased with an increasing oil concentration, whereas larger (MT) pore sizes tended to increase. Fractal dimension, derived from MIP data, changed similarly to the MIP pore radius, while that derived from MT remained unaltered. Solid phase density, measured by helium pycnometry, initially dropped slightly and then increased with the amount of oil added, which was most probably connected to changes in the formation of extremely small closed pores that were not available for He atoms. PMID:28773964

Tunable aqueous virtual micropore.

PubMed

Park, Jae Hyun; Guan, Weihua; Reed, Mark A; Krstić, Predrag S

2012-03-26

A charged microparticle can be trapped in an aqueous environment by forming a narrow virtual pore--a cylindrical space region in which the particle motion in the radial direction is limited by forces emerging from dynamical interactions of the particle charge and dipole moment with an external radiofrequency quadrupole electric field. If the particle satisfies the trap stability criteria, its mean motion is reduced exponentially with time due to the viscosity of the aqueous environment; thereafter the long-time motion of particle is subject only to random, Brownian fluctuations, whose magnitude, influenced by the electrophoretic and dielectrophoretic effects and added to the particle size, determines the radius of the virtual pore, which is demonstrated by comparison of computer simulations and experiment. The measured size of the virtual nanopore could be utilized to estimate the charge of a trapped micro-object. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthetic cation-selective nanotube: permeant cations chaperoned by anions.

PubMed

Hilder, Tamsyn A; Gordon, Dan; Chung, Shin-Ho

2011-01-28

The ability to design ion-selective, synthetic nanotubes which mimic biological ion channels may have significant implications for the future treatment of bacteria, diseases, and as ultrasensitive biosensors. We present the design of a synthetic nanotube made from carbon atoms that selectively allows monovalent cations to move across and rejects all anions. The cation-selective nanotube mimics some of the salient properties of biological ion channels. Before practical nanodevices are successfully fabricated it is vital that proof-of-concept computational studies are performed. With this in mind we use molecular and stochastic dynamics simulations to characterize the dynamics of ion permeation across a single-walled (10, 10), 36 Å long, carbon nanotube terminated with carboxylic acid with an effective radius of 5.08 Å. Although cations encounter a high energy barrier of 7 kT, its height is drastically reduced by a chloride ion in the nanotube. The presence of a chloride ion near the pore entrance thus enables a cation to enter the pore and, once in the pore, it is chaperoned by the resident counterion across the narrow pore. The moment the chaperoned cation transits the pore, the counterion moves back to the entrance to ferry another ion. The synthetic nanotube has a high sodium conductance of 124 pS and shows linear current-voltage and current-concentration profiles. The cation-anion selectivity ratio ranges from 8 to 25, depending on the ionic concentrations in the reservoirs.

Estimation of hydraulic permeability considering the micro morphology of rocks of the borehole YAXCOPOIL-1 (Impact crater Chicxulub, Mexico)

NASA Astrophysics Data System (ADS)

Mayr, S. I.; Burkhardt, H.; Popov, Yu.; Wittmann, A.

2008-04-01

Internal surface, formation factor, Nuclear Magnetic Resonance (NMR)-T2 relaxation times and pore radius distributions were measured on representative core samples for the estimation of hydraulic permeability. Permeability is estimated using various versions of the classic Kozeny-Carman-equation (K-C) and a further development of K-C, the fractal PaRiS-model, taking into account the internal surface. In addition to grain and pore size distribution, directly connected to permeability, internal surface reflects the internal structure (“micro morphology”). Lithologies could be grouped with respect to differences in internal surface. Most melt rich impact breccia lithologies exhibit large internal surfaces, while Tertiary post-impact sediments and Cretaceous lithologies in displaced megablocks display smaller internal surfaces. Investigations with scanning electron microscopy confirm the correlation between internal surface and micro morphology. In addition to different versions of K-C, estimations by means of NMR, pore radius distributions and some gas permeability measurements serve for cross-checking and calibration. In general, the different estimations from the independent methods and the measurements are in satisfactory accordance. For Tertiary limestones and Suevites bulk with very high porosities (up to 35%) permeabilites between 10-14 and 10-16 m2 are found, whereas in lower Suevite, Cretaceous anhydrites and dolomites, bulk permeabilites are between 10-15 and 10-23 m2.

Porosity in low dielectric constant SiOCH films depth profiled by positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Brusa, R. S.; Spagolla, M.; Karwasz, G. P.; Zecca, A.; Ottaviani, G.; Corni, F.; Bacchetta, M.; Carollo, E.

2004-03-01

The 3γ annihilation of orthopositronium and the Doppler broadening of the positron annihilation line have been measured by implanting low energy positrons in low dielectric constant (low-k) SiOCH films. The evolution and stability of film porosity with thermal treatments in the 400-900 °C temperature range has been studied. The films have been produced by plasma enhanced chemical vapor deposition and after annealing in N2 atmospheres at 480 °C have been treated in N2+He plasma. The minimum free volume of the pores in the as-produced samples has been estimated to correspond to that of a sphere with radius r=0.6 nm. The treatment in the N2 plasma was found to seal the pores up to 45 nm depth. Both the composition of the films (as obtained by Rutherford backscattering spectroscopy and elastic recoil detection analysis) and the chemical environment of the pores probed by positrons were found to be very stable up to 600 °C thermal treatment. Above such a temperature a reduction of the hydrogen content accompanied by a change in the structure and in the chemical environment of the pores has been observed. In the samples thermal treated at 800-900 °C, the positronium formation is reduced by one-third respect with the as produced sample. In the annealed and as-produced films, a natural aging of 30 days in air was enough to contaminate the porosity, as pointed out by a strong reduction of the 3γ annihilations. The effect of contamination and the distribution of the pores were completely recovered after a thermal treatment at 400 °C. Artificial aging of SiOCH films in controlled atmospheres of H2, O2, H2O has shown that H2O is the more efficient contaminant in reducing the effective volume of the pores.

Physical analysis of the process of cavitation in xylem sap.

PubMed

Shen, Fanyi; Gao, Rongfu; Liu, Wenji; Zhang, Wenjie

2002-06-01

Recent studies have confirmed that cavitation in xylem is caused by air bubbles. We analyzed expansion of a preexistent bubble adhering to a crack in a conduit wall and a bubble formed by the passage of air through a pore of a pit membrane, a process known as air seeding. We consider that there are two equilibrium states for a very small air bubble in the xylem: one is temporarily stable with a bubble radius r1 at point s1 on the curve P(r) relating pressure within the bubble (P) with bubble radius (r); the other is unstable with a bubble radius r2 at point s2 on Pr (where r1 < r2). In each equilibrium state, the bubble collapse pressure (2sigma/r, where sigma is surface tension of water) is balanced by the pressure difference across its surface. In the case of a bubble from a crack in a conduit wall, which is initially at point s1, expansion will occur steadily as water potential decreases. The bubble will burst only if the xylem pressure drops below a threshold value. A formula giving the threshold pressure for bubble bursting is proposed. In the case of an air seed entering a xylem conduit through a pore in a pit membrane, its initial radius may be r2 (i.e., the radius of the pore by which the air seed entered the vessel) at point s2 on Pr. Because the bubble is in an unstable equilibrium when entering the conduit, it can either expand or contract to point s1. As water vaporizes into the air bubble at s2, P rises until it exceeds the gas pressure that keeps the bubble in equilibrium, at which point the bubble will burst and induce a cavitation event in accordance with the air-seeding hypothesis. However, other possible perturbations could make the air-seeded bubble contract to s1, in which case the bubble will burst at a threshold pressure proposed for a bubble expanding from a crack in a conduit wall. For this reason some cavitation events may take place at a xylem threshold pressure (Pl'*) other than that determined by the formula, Plp'* = -2sigma/rp, proposed by Sperry and Tyree (1988), which is applicable only to air-seeded bubbles at s2. The more general formula we propose for calculating the threshold pressure for bubble breaking is consistent with the results of published experiments.

Distribution of arsenic and copper in sediment pore water: an ecological risk assessment case study for offshore drilling waste discharges.

PubMed

Sadiq, Rehan; Husain, Tahir; Veitch, Brian; Bose, Neil

2003-12-01

Due to the hydrophobic nature of synthetic based fluids (SBFs), drilling cuttings are not very dispersive in the water column and settle down close to the disposal site. Arsenic and copper are two important toxic heavy metals, among others, found in the drilling waste. In this article, the concentrations of heavy metals are determined using a steady state "aquivalence-based" fate model in a probabilistic mode. Monte Carlo simulations are employed to determine pore water concentrations. A hypothetical case study is used to determine the water quality impacts for two discharge options: 4% and 10% attached SBFs, which correspond to the best available technology option and the current discharge practice in the U.S. offshore. The exposure concentration (CE) is a predicted environmental concentration, which is adjusted for exposure probability and bioavailable fraction of heavy metals. The response of the ecosystem (RE) is defined by developing an empirical distribution function of predicted no-effect concentration. The pollutants' pore water concentrations within the radius of 750 m are estimated and cumulative distributions of risk quotient (RQ=CE/RE) are developed to determine the probability of RQ greater than 1.

Evaluating the hydraulic and transport properties of peat soil using pore network modeling and X-ray micro computed tomography

NASA Astrophysics Data System (ADS)

Gharedaghloo, Behrad; Price, Jonathan S.; Rezanezhad, Fereidoun; Quinton, William L.

2018-06-01

Micro-scale properties of peat pore space and their influence on hydraulic and transport properties of peat soils have been given little attention so far. Characterizing the variation of these properties in a peat profile can increase our knowledge on the processes controlling contaminant transport through peatlands. As opposed to the common macro-scale (or bulk) representation of groundwater flow and transport processes, a pore network model (PNM) simulates flow and transport processes within individual pores. Here, a pore network modeling code capable of simulating advective and diffusive transport processes through a 3D unstructured pore network was developed; its predictive performance was evaluated by comparing its results to empirical values and to the results of computational fluid dynamics (CFD) simulations. This is the first time that peat pore networks have been extracted from X-ray micro-computed tomography (μCT) images of peat deposits and peat pore characteristics evaluated in a 3D approach. Water flow and solute transport were modeled in the unstructured pore networks mapped directly from μCT images. The modeling results were processed to determine the bulk properties of peat deposits. Results portray the commonly observed decrease in hydraulic conductivity with depth, which was attributed to the reduction of pore radius and increase in pore tortuosity. The increase in pore tortuosity with depth was associated with more decomposed peat soil and decreasing pore coordination number with depth, which extended the flow path of fluid particles. Results also revealed that hydraulic conductivity is isotropic locally, but becomes anisotropic after upscaling to core-scale; this suggests the anisotropy of peat hydraulic conductivity observed in core-scale and field-scale is due to the strong heterogeneity in the vertical dimension that is imposed by the layered structure of peat soils. Transport simulations revealed that for a given solute, the effective diffusion coefficient decreases with depth due to the corresponding increase of diffusional tortuosity. Longitudinal dispersivity of peat also was computed by analyzing advective-dominant transport simulations that showed peat dispersivity is similar to the empirical values reported in the same peat soil; it is not sensitive to soil depth and does not vary much along the soil profile.

Size exclusion deep bed filtration: Experimental and modelling uncertainties

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

Badalyan, Alexander, E-mail: alexander.badalyan@adelaide.edu.au; You, Zhenjiang; Aji, Kaiser

A detailed uncertainty analysis associated with carboxyl-modified latex particle capture in glass bead-formed porous media enabled verification of the two theoretical stochastic models for prediction of particle retention due to size exclusion. At the beginning of this analysis it is established that size exclusion is a dominant particle capture mechanism in the present study: calculated significant repulsive Derjaguin-Landau-Verwey-Overbeek potential between latex particles and glass beads is an indication of their mutual repulsion, thus, fulfilling the necessary condition for size exclusion. Applying linear uncertainty propagation method in the form of truncated Taylor's series expansion, combined standard uncertainties (CSUs) in normalised suspendedmore » particle concentrations are calculated using CSUs in experimentally determined parameters such as: an inlet volumetric flowrate of suspension, particle number in suspensions, particle concentrations in inlet and outlet streams, particle and pore throat size distributions. Weathering of glass beads in high alkaline solutions does not appreciably change particle size distribution, and, therefore, is not considered as an additional contributor to the weighted mean particle radius and corresponded weighted mean standard deviation. Weighted mean particle radius and LogNormal mean pore throat radius are characterised by the highest CSUs among all experimental parameters translating to high CSU in the jamming ratio factor (dimensionless particle size). Normalised suspended particle concentrations calculated via two theoretical models are characterised by higher CSUs than those for experimental data. The model accounting the fraction of inaccessible flow as a function of latex particle radius excellently predicts normalised suspended particle concentrations for the whole range of jamming ratios. The presented uncertainty analysis can be also used for comparison of intra- and inter-laboratory particle size exclusion data.« less

Reversal of Ion Charge Selectivity Renders the Pentameric Ligand-Gated Ion Channel GLIC Insensitive to Anesthetics

PubMed Central

Tillman, Tommy; Cheng, Mary H.; Chen, Qiang; Tang, Pei; Xu, Yan

2014-01-01

Pentameric ligand gated ion channels (pLGICs) are a family of structurally homologous cationic and anionic channels involved in neurotransmission. Cationic members of the pLGIC family are typically inhibited by general anesthetics, while anionic members are potentiated. GLIC is a prokaryotic cationic pLGIC and can be inhibited by clinical concentrations of general anesthetics. The introduction of three mutations, Y221A (Y–3′A), E222P (E–2′P) and N224R (N0′R), at the selectivity filter and one, A237T (A13′T), at the hydrophobic gate, converted GLIC to an anion channel. The mutated GLIC (GLIC4) became insensitive to the anesthetics propofol and etomidate as well as the channel blocker picrotoxin. Molecular dynamics (MD) simulations revealed changes in the structure and dynamics of GLIC4 in comparison to GLIC, particularly in the tilting angles of the pore-lining helix (TM2) that consequently resulted in different pore radius and hydration profiles. Propofol binding to an intra-subunit site of GLIC shifted the tilting angles of TM2 towards closure at the hydrophobic gate region, consistent with propofol inhibition of GLIC. In contrast, the pore of GLIC4 was much more resilient to perturbation from propofol binding. This study underscores the importance of pore dynamics and conformation to anesthetic effects on channel functions. PMID:22978431

Influence of Pore Structure on SIP Properties Deduced from Micro-Scale Modelling

NASA Astrophysics Data System (ADS)

Volkmann, Jan; Klitzsch, Norbert; Wiens, Eugen; Mohnke, Oliver

2010-05-01

In geophysics frequency dependent complex resistivity measurements are called Spectral Induced Polarization (SIP). In other fields this method is known as Impedance Spectroscopy. In the last two decades many empirical relations were proposed which relate the frequency dependent electrical properties of water saturated rocks to structural properties such as pore radius and inner surface area, or to hydraulic conductivity. Unfortunately, these relations are not universal; they apply only for specific rock types and water compositions. In order to quantify the influence of inner rock structure (as well as of electrochemical water and rock properties) on the frequency dependent electrical properties we model the charge transport processes at the pore space using Comsol Multiphysics. In the frequency domain the effect of Induced Polarization (IP) is characterised by a phase shift between a measured electric current and an alternating voltage applied to the ground. A possible origin of this behaviour particularly for nonconducting rock minerals can be seen in the membrane polarization model as proposed by Marshall and Madden. This model describes a system of electrolyte filled pores. Different mobilities of cations and anions in the small pores cause a membrane effect and thus an electrical polarization. We aim to find a more realistic way of modelling the membrane polarization effect than using the simple Marshall and Madden model. The electric double layer, the origin of the Induced Polarization effect, is caused by surface charges located at the electrolyte rock interface. Thus, the EDL as a boundary effect is accounted for by reduced ion mobilities at the inner surface area. The governing equations and boundary conditions for a system of larger and smaller pores with applied voltage are expressed in frequency domain using a time harmonic approach, the electric current is determined to obtain information about amplitude and phase of the complex resistivity. The results are compared to corresponding theoretic and experimental results. The model is applied to study the influence of pore sizes and pore structure as well as of electrolyte properties like ion mobilities and concentrations. We find two characteristic phase minima in the frequency range 1mHz - 100MHz. The dependence of the 'high frequency' minimum (f > 10kHz) on the electrolyte concentration and the dependence of the corresponding relaxation times on variations of the pore geometry are in good agreement with the classical Maxwell-Wagner theory. In contrast to this effective medium approach the simulations confirm the necessity of pore throats to obtain non-vanishing phase values. For large size differences of the smaller and larger pores a second 'low frequency' minimum (f < 10kHz) exists. Its relaxation time mainly depends on the length of the large pores of the system. Furthermore we find a decreasing phase amplitude with increasing electrolyte concentration not predicted by Marshall and Madden and similar models but confirmed by experimental results. This study was conducted within the Transregional Collaborative Research Centre 32 (SFB TR 32; subproject A2), funded by the German Research Foundation (DFG). Present and future studies are supported by the Deutsche Gesellschaft für Erdöl, Erdgas und Kohle e.V. (DGMK).

Synthetic chloride-selective carbon nanotubes examined by using molecular and stochastic dynamics.

PubMed

Hilder, Tamsyn A; Gordon, Dan; Chung, Shin-Ho

2010-09-22

Synthetic channels, such as nanotubes, offer the possibility of ion-selective nanoscale pores which can broadly mimic the functions of various biological ion channels, and may one day be used as antimicrobial agents, or for treatment of cystic fibrosis. We have designed a carbon nanotube that is selectively permeable to anions. The virtual nanotubes are constructed from a hexagonal array of carbon atoms (graphene) rolled up to form a tubular structure, with an effective radius of 4.53 Å and length of 34 Å. The pore ends are terminated with polar carbonyl groups. The nanotube thus formed is embedded in a lipid bilayer and a reservoir containing ionic solutions is added at each end of the pore. The conductance properties of these synthetic channels are then examined with molecular and stochastic dynamics simulations. Profiles of the potential of mean force at 0 mM reveal that a cation moving across the pore encounters an insurmountable free energy barrier of ∼25 kT in height. In contrast, for anions, there are two energy wells of ∼12 kT near each end of the tube, separated by a central free energy barrier of 4 kT. The conductance of the pore, with symmetrical 500 mM solutions in the reservoirs, is 72 pS at 100 mV. The current saturates with an increasing ionic concentration, obeying a Michaelis-Menten relationship. The pore is normally occupied by two ions, and the rate-limiting step in conduction is the time taken for the resident ion near the exit gate to move out of the energy well. Copyright © 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

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

Zhao, Xianhui; Walker, Devin; Maiti, Debtanu

Cylindrical NiMg/Ce 0.6Zr 0.4O 2 pellet catalysts with two different sizes (large: radius = 1.59 mm; and small: radius = 0.75 mm) were produced by extrusion of powder catalysts. The small catalyst pellets had a higher specific surface area, pore volume, average pore size, radial crush strength, and resistance to breakage than the large ones. Tri-reforming tests with surrogate biogas were conducted at 3 bar and 882 °C, with the feed molar ratios of CH 4: CO 2: air fixed at 1.0: 0.7: 0.95 and the H 2O/CH 4 molar feed ratio (0.35 – 1.16) varied. The small catalyst pelletsmore » exhibited lower internal mass transfer resistance and higher coking resistance, compared to the large ones. CO 2 conversion decreased and H 2/CO molar ratio increased with the increase of H 2O/CH 4 molar feed ratio, which are consistent with the trends predicted by thermodynamic equilibrium calculations. Finally, the results indicate that the NiMg/Ce 0.6Zr 0.4O 2 catalyst pellets are promising for commercial scale applications.« less

Hybrid MD-Nernst Planck Model of Alpha-hemolysin Conductance Properties

NASA Technical Reports Server (NTRS)

Cozmuta, Ioana; O'Keefer, James T.; Bose, Deepak; Stolc, Viktor

2006-01-01

Motivated by experiments in which an applied electric field translocates polynucleotides through an alpha-hemolysin protein channel causing ionic current transient blockade, a hybrid simulation model is proposed to predict the conductance properties of the open channel. Time scales corresponding to ion permeation processes are reached using the Poisson-Nemst-Planck (PNP) electro-diffusion model in which both solvent and local ion concentrations are represented as a continuum. The diffusion coefficients of the ions (K(+) and Cl(-)) input in the PNP model are, however, calculated from all-atom molecular dynamics (MD). In the MD simulations, a reduced representation of the channel is used. The channel is solvated in a 1 M KCI solution, and an external electric field is applied. The pore specific diffusion coefficients for both ionic species are reduced 5-7 times in comparison to bulk values. Significant statistical variations (17-45%) of the pore-ions diffusivities are observed. Within the statistics, the ionic diffusivities remain invariable for a range of external applied voltages between 30 and 240mV. In the 2D-PNP calculations, the pore stem is approximated by a smooth cylinder of radius approx. 9A with two constriction blocks where the radius is reduced to approx. 6A. The electrostatic potential includes the contribution from the atomistic charges. The MD-PNP model shows that the atomic charges are responsible for the rectifying behaviour and for the slight anion selectivity of the a-hemolysin pore. Independent of the hierarchy between the anion and cation diffusivities, the anionic contribution to the total ionic current will dominate. The predictions of the MD-PNP model are in good agreement with experimental data and give confidence in the present approach of bridging time scales by combining a microscopic and macroscopic model.

Geometrical characteristics of sandstone with different sample sizes

NASA Astrophysics Data System (ADS)

Cheon, D. S.; Takahashi, M., , Dr

2017-12-01

In many rock engineering projects such as CO2 underground storage, engineering geothermal system, it is important things to understand the fluid flow behavior in the deep geological conditions. This fluid flow is generally affected by the geometrical characteristics of rock, especially porous media. Furthermore, physical properties in rock may depend on the existence of voids space in rock. Total porosity and pore size distribution can be measured by Mercury Intrusion Porosimetry and the other geometrical and spatial information of pores can be obtained through micro-focus X-ray CT. Using the micro-focus X-ray CT, we obtained the extracted void space and transparent image from the original CT voxel images of with different sample sizes like 1 mm, 2 mm, 3 mm cubes. The test samples are Berea sandstone and Otway sandstone. The former is well-known sandstone and it is used for the standard sample to compared to the result from the Otway sandstone. Otway sandstone was obtained from the CO2CRC Otway pilot site for the CO2 geosequestraion project. From the X-ray scan and ExFACT software, we get the informations including effective pore radii, coordination number, tortuosity and effective throat/pore radius ratio etc. The geometrical information analysis showed that for Berea sandstone and Otway sandstone, there is rarely differences with different sample sizes and total value of coordination number show high porosity, the tortuosity of Berea sandstone is higher than the Otway sandstone. In the future, these information will be used for the permeability of the samples.

The Pressure-Dependence of the Size of Extruded Vesicles

PubMed Central

Patty, Philipus J.; Frisken, Barbara J.

2003-01-01

Variations in the size of vesicles formed by extrusion through small pores are discussed in terms of a simple model. Our model predicts that the radius should decrease as the square root of the applied pressure, consistent with data for vesicles extruded under various conditions. The model also predicts dependencies on the pore size used and on the lysis tension of the vesicles being extruded that are consistent with our data. The pore size was varied by using track-etched polycarbonate membranes with average pore diameters ranging from 50 to 200 nm. To vary the lysis tension, vesicles made from POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine), mixtures of POPC and cholesterol, and mixtures of POPC and C16-ceramide were studied. The lysis tension, as measured by an extrusion-based technique, of POPC:cholesterol vesicles is higher than that of pure POPC vesicles whereas POPC:ceramide vesicles have lower lysis tensions than POPC vesicles. PMID:12885646

TLM-PSD model for optimization of energy and power density of vertically aligned carbon nanotube supercapacitor

PubMed Central

Ghosh, Arunabha; Le, Viet Thong; Bae, Jung Jun; Lee, Young Hee

2013-01-01

Electrochemical capacitors with fast charging-discharging rates are very promising for hybrid electric vehicle industries including portable electronics. Complicated pore structures have been implemented in active materials to increase energy storage capacity, which often leads to degrade dynamic response of ions. In order to understand this trade-off phenomenon, we report a theoretical model based on transmission line model which is further combined with pore size distribution function. The model successfully explained how pores length, and pore radius of active materials and electrolyte conductivity can affect capacitance and dynamic performance of different capacitors. The powerfulness of the model was confirmed by comparing with experimental results of a micro-supercapacitor consisted of vertically aligned multiwalled carbon nanotubes (v-MWCNTs), which revealed a linear current increase up to 600 Vs−1 scan rate demonstrating an ultrafast dynamic behavior, superior to randomly entangled singlewalled carbon nanotube device, which is clearly explained by the theoretical model. PMID:24145831

Mechanics of membrane bulging during cell-wall disruption in Gram-negative bacteria

NASA Astrophysics Data System (ADS)

Daly, Kristopher E.; Huang, Kerwyn Casey; Wingreen, Ned S.; Mukhopadhyay, Ranjan

2011-04-01

The bacterial cell wall is a network of sugar strands crosslinked by peptides that serve as the primary structure for bearing osmotic stress. Despite its importance in cellular survival, the robustness of the cell wall to network defects has been relatively unexplored. Treatment of the Gram-negative bacterium Escherichia coli with the antibiotic vancomycin, which disrupts the crosslinking of new material during growth, leads to the development of pronounced bulges and eventually of cell lysis. Here, we model the mechanics of the bulging of the cytoplasmic membrane through pores in the cell wall. We find that the membrane undergoes a transition between a nearly flat state and a spherical bulge at a critical pore radius of ~20 nm. This critical pore size is large compared to the typical distance between neighboring peptides and glycan strands, and hence pore size acts as a constraint on network integrity. We also discuss the general implications of our model to membrane deformations in eukaryotic blebbing and vesiculation in red blood cells.

Iron Oxide Silica Derived from Sol-Gel Synthesis

PubMed Central

Darmawan, Adi; Smart, Simon; Julbe, Anne; Diniz da Costa, João Carlos

2011-01-01

In this work we investigate the effect of iron oxide embedded in silica matrices as a function of Fe/Si molar ratio and sol pH. To achieve homogeneous dispersion of iron oxide particles, iron nitrate nonahydrate was dissolved in hydrogen peroxide and was mixed with tetraethyl orthosilicate and ethanol in a sol-gel synthesis method. Increasing the calcination temperature led to a reduction in surface area, although the average pore radius remained almost constant at about 10 Å, independent of the Fe/Si molar ratio or sol pH. Hence, the densification of the matrix was accompanied by similar reduction in pore volume. However, calcination at 700 °C resulted in samples with similar surface area though the iron oxide content increased from 5% to 50% Fe/Si molar ratio. As metal oxide particles have lower surface area than polymeric silica structures, these results strongly suggest that the iron oxides opposed the silica structure collapse. The effect of sol pH was found to be less significant than the Fe/Si molar ratio in the formation of molecular sieve structures derived from iron oxide silica. PMID:28879999

Physical parameters of Fluvisols on flooded and non-flooded terraces

NASA Astrophysics Data System (ADS)

Kercheva, Milena; Sokołowska, Zofia; Hajnos, Mieczysław; Skic, Kamil; Shishkov, Toma

2017-01-01

The heterogeneity of soil physical properties of Fluvisols, lack of large pristine areas, and different moisture regimes on non-flooded and flooded terraces impede the possibility to find a soil profile which can serve as a baseline for estimating the impact of natural or anthropogenic factors on soil evolution. The aim of this study is to compare the pore size distribution of pristine Fluvisols on flooded and non-flooded terraces using the method of the soil water retention curve, mercury intrusion porosimetry, nitrogen adsorption isotherms, and water vapour sorption. The pore size distribution of humic horizons of pristine Fluvisols on the non-flooded terrace differs from pore size distribution of Fluvisols on the flooded terrace. The peaks of textural and structural pores are higher in the humic horizons under more humid conditions. The structural characteristics of subsoil horizons depend on soil texture and evolution stage. The peaks of textural pores at about 1 mm diminish with lowering of the soil organic content. Structureless horizons are characterized by uni-modal pore size distribution. Although the content of structural pores of the subsoil horizons of Fluvisols on the non-flooded terrace is low, these pores are represented by biopores, as the coefficient of filtration is moderately high. The difference between non-flooded and flooded profiles is well expressed by the available water storage, volume and mean radius of pores, obtained by mercury intrusion porosimetry and water desorption, which are higher in the surface horizons of frequently flooded Fluvisols.

Physically based estimation of soil water retention from textural data: General framework, new models, and streamlined existing models

USGS Publications Warehouse

Nimmo, J.R.; Herkelrath, W.N.; Laguna, Luna A.M.

2007-01-01

Numerous models are in widespread use for the estimation of soil water retention from more easily measured textural data. Improved models are needed for better prediction and wider applicability. We developed a basic framework from which new and existing models can be derived to facilitate improvements. Starting from the assumption that every particle has a characteristic dimension R associated uniquely with a matric pressure ?? and that the form of the ??-R relation is the defining characteristic of each model, this framework leads to particular models by specification of geometric relationships between pores and particles. Typical assumptions are that particles are spheres, pores are cylinders with volume equal to the associated particle volume times the void ratio, and that the capillary inverse proportionality between radius and matric pressure is valid. Examples include fixed-pore-shape and fixed-pore-length models. We also developed alternative versions of the model of Arya and Paris that eliminate its interval-size dependence and other problems. The alternative models are calculable by direct application of algebraic formulas rather than manipulation of data tables and intermediate results, and they easily combine with other models (e.g., incorporating structural effects) that are formulated on a continuous basis. Additionally, we developed a family of models based on the same pore geometry as the widely used unsaturated hydraulic conductivity model of Mualem. Predictions of measurements for different suitable media show that some of the models provide consistently good results and can be chosen based on ease of calculations and other factors. ?? Soil Science Society of America. All rights reserved.

The possible crossover effects of NaNO3 confined in porous media: From bulk to clusters

NASA Astrophysics Data System (ADS)

Mu, R.; Jin, F.; Morgan, S. H.; Henderson, D. O.; Silberman, E.

1994-05-01

Differential scanning calorimetry (DSC) and Raman spectra are reported for NaNO3 bulk and for NaNO3 confined in porous silica with pore radii, rp=2.5, 5, 10, 20 nm. Raman spectra are also given for a 6 M solution of NaNO3. The melting transition for the confined NaNO3 exhibits a 1/rp dependence where rp is the pore radius for rp≳5 nm. No melting transition is observed for NaNO3 confined in 2.5 nm pores. Above this pore size, their appears to be a deviation in the melting transition dependence on rp. The internal modes observed in the Raman spectra for the confined material are in agreement with those of the bulk solid except for a feature observed on the low frequency side of the ν1 band. The external TO mode observed at 100 cm-1 and the librational mode at 175 cm-1 for NaNO3 both decrease in intensity and broaden as rp decreases and both bands disappear at rp=2.5 nm. An additional peak at 70 cm-1 not observed in the solution or bulk NaNO3 spectra appears in the spectra of confined NaNO3 and increases in intensity as rp decreases. We assign this band to a new phase of NaNO3 which is stabilized by the surface hydroxyl groups of the porous silica. For NaNO3 confined in pores, rp≤2.5 nm, we suggest that NaNO3 exists as disordered aggregates.

Functional assay of Salmonella typhi OmpC using reconstituted large unilamellar vesicles: a general method for characterization of outer membrane proteins.

PubMed

Sundara Baalaji, N; Mathew, M K; Krishnaswamy, S

2006-10-01

The immunodominant trimeric beta-barrel outer membrane protein OmpC from Salmonella typhi, the causative agent of typhoid, has been functionally characterized here. The activity in the vesicle environment was studied in vitro using OmpC reconstituted into proteoliposomes. Passage of polysaccharides and polyethyleneglycols through OmpC has been examined to determine the permeability properties. The relative rate of neutral solute flux yields a radius of 1.1 nm for the S. typhi OmpC pore. This is almost double the pore size of Escherichia coli. This provides an example of large pore size present in the porins that form trimers as in the general bacterial porin family. The method used in this study provides a good membrane model for functional studies of porins.

Supported inorganic membranes

DOEpatents

Sehgal, Rakesh; Brinker, Charles Jeffrey

1998-01-01

Supported inorganic membranes capable of molecular sieving, and methods for their production, are provided. The subject membranes exhibit high flux and high selectivity. The subject membranes are substantially defect free and less than about 100 nm thick. The pores of the subject membranes have an average critical pore radius of less than about 5 .ANG., and have a narrow pore size distribution. The subject membranes are prepared by coating a porous substrate with a polymeric sol, preferably under conditions of low relative pressure of the liquid constituents of the sol. The coated substrate is dried and calcined to produce the subject supported membrane. Also provided are methods of derivatizing the surface of supported inorganic membranes with metal alkoxides. The subject membranes find use in a variety of applications, such as the separation of constituents of gaseous streams, as catalysts and catalyst supports, and the like.

A Comparison of Coarse-Grained and Continuum Models for Membrane Bending in Lipid Bilayer Fusion Pores

PubMed Central

Yoo, Jejoong; Jackson, Meyer B.; Cui, Qiang

2013-01-01

To establish the validity of continuum mechanics models quantitatively for the analysis of membrane remodeling processes, we compare the shape and energies of the membrane fusion pore predicted by coarse-grained (MARTINI) and continuum mechanics models. The results at these distinct levels of resolution give surprisingly consistent descriptions for the shape of the fusion pore, and the deviation between the continuum and coarse-grained models becomes notable only when the radius of curvature approaches the thickness of a monolayer. Although slow relaxation beyond microseconds is observed in different perturbative simulations, the key structural features (e.g., dimension and shape of the fusion pore near the pore center) are consistent among independent simulations. These observations provide solid support for the use of coarse-grained and continuum models in the analysis of membrane remodeling. The combined coarse-grained and continuum analysis confirms the recent prediction of continuum models that the fusion pore is a metastable structure and that its optimal shape is neither toroidal nor catenoidal. Moreover, our results help reveal a new, to our knowledge, bowing feature in which the bilayers close to the pore axis separate more from one another than those at greater distances from the pore axis; bowing helps reduce the curvature and therefore stabilizes the fusion pore structure. The spread of the bilayer deformations over distances of hundreds of nanometers and the substantial reduction in energy of fusion pore formation provided by this spread indicate that membrane fusion can be enhanced by allowing a larger area of membrane to participate and be deformed. PMID:23442963

Mucilage from seeds of chia (Salvia hispanica L.) used as soil conditioner; effects on the sorption-desorption of four herbicides in three different soils.

PubMed

Di Marsico, A; Scrano, L; Amato, M; Gàmiz, B; Real, M; Cox, L

2018-06-01

The objective of this work was to determine the effect of the mucilage extracted from Chia seeds (Salvia hispanica L.) as soil amendment on soil physical properties and on the sorption-desorption behaviour of four herbicides (MCPA, Diuron, Clomazone and Terbuthylazine) used in cereal crops. Three soils of different texture (sandy-loam, loam and clay-loam) were selected, and mercury intrusion porosimetry and surface area analysis were used to examine changes in the microstructural characteristics caused by the reactions that occur between the mucilage and soil particles. Laboratory studies were conducted to characterise the selected herbicides with regard their sorption on tested soils added or not with the mucilage. Mucilage amendment resulted in a reduction in soil porosity, basically due to a reduction in larger pores (radius>10μm) and an important increase in finer pores (radius<10μm) and in partcles' surface. A higher herbicide sorption in the amended soils was ascertained when compared to unamended soils. The sorption percentage of herbicides in soils treated with mucilage increased in the order; sandy-loam

Experimental investigation of the displacement dynamics during biphasic flow in porous media

NASA Astrophysics Data System (ADS)

Ayaz, Monem; Toussaint, Renaud; Måløy, Knut-Jørgen; Schafer, Gerhard

2016-04-01

We experimentally study the interface dynamics of an immiscible fluid as it displaces a fully saturated porous medium. The system is confined by a vertically oriented Hele-Shaw cell, with piezoelectric type acoustic sensors mounted along the centerline. During drainage potential surface energy is stored at the interface up to a given threshold in pressure, at which an instability occurs as new pores are invaded and the radius of curvature of the interface increases locally, the energy gets released, and part of this energy is detectable as acoustic emission. By detecting pore-scale events emanating from the interface at various points, we look to develop techniques for localizing the displacement front. To assess the quality, optical monitoring is done using a high speed camera.In our study we also aim to gain further insight into the interface dynamics by varying parameters such as the effective gravity, and the invasion speed and using other methods of probing the system such as active tomography. We here present our preliminary results of this study.

Direct Numerical Simulation of Liquid Transport Through Fibrous Porous Media

NASA Astrophysics Data System (ADS)

Palakurthi, Nikhil Kumar

Fluid flow through fibrous media occurs in many industrial processes, including, but not limited, to fuel cell technology, drug delivery patches, sanitary products, textile reinforcement, filtration, heat exchangers, and performance fabrics. Understanding the physical processes involved in fluid flow through fibrous media is essential for their characterization as well as for the optimization and development of new products. Macroscopic porous-media equations require constitutive relations, which account for the physical processes occurring at the micro-scale, to predict liquid transport at the macro-scale. In this study, micro-scale simulations were conducted using conventional computational fluid dynamics (CFD) technique (finite-volume method) to determine the macroscopic constitutive relations. The first part of this thesis deals with the single-phase flow in fibrous media, following which multi-phase flow through fibrous media was studied. Darcy permeability is an important parameter that characterizes creeping flow through a fibrous porous medium. It has a complex dependence on the medium's properties such as fibers' in-plane and through-plane orientation, diameter, aspect ratio, curvature, and porosity. A suite of 3D virtual fibrous structures with a wide range of geometric properties were constructed, and the permeability values of the structures were calculated by solving the 3D incompressible Navier-Stokes equations. The through-plane permeability was found to be a function of only the fiber diameter, the fibers' through-plane orientation, and the porosity of the medium. The numerical results were used to extend a permeability-porosity relation, developed in literature for 3D isotropic fibrous media, to a wide range of fibers' through-plane orientations. In applications where rate of capillary penetration is important, characterization of porous media usually involves determination of either the effective pore radius from capillary penetration experiments or a representative pore radius (R50) from pore-size distribution data. The relationship between effective and representative pore radii was studied by performing direct simulations of capillary penetration of a wetting liquid using a finite-volume-based volume-of-fluid (VOF) method. The simulated unidirectional liquid penetration through fibrous media followed Lucas-Washburn kinetics (L ˜ t1/2), except during the initial stages, which are dominated by inertial forces. Even though fluid properties and contact angle were kept constant in the simulations, the effective pore radii were found to be quite different from the representative radii. It can be concluded that the differences between effective and representative pore radii did not arise from contact angle variations. The unsaturated flow through fibrous media at the macro-scale is typically described using Richard's equation which requires constitutive relations: capillary pressure and permeability as a function of liquid saturation. In the present study, the quasi-static capillary pressure-saturation (P c-S) relationship for the primary drainage in a 3D isotropic fibrous medium was determined by performing micro-scale simulations using a VOF method. The Pc-S relationship obtained from the VOF method was compared with the results from the full-morphology (FM) method. Good agreement was observed between the results from the VOF and FM methods, thus suggesting that the FM method, a computationally less intensive method as compared to VOF method, may be sufficient for estimating the Pc-S relationship for primary drainage.

Proton Diffusion through Bilayer Pores

DOE PAGES

McDaniel, Jesse G.; Yethiraj, Arun

2017-09-26

The transport of protons through channels in complex environments is important in biology and materials science. In this work, we use multistate empirical valence bond simulations to study proton transport within a well-defined bilayer pore in a lamellar L β phase lyotropic liquid crystal (LLC). The LLC is formed from the self-assembly of dicarboxylate gemini surfactants in water, and a bilayer-spanning pore of radius of approximately 3–5 Å results from the uneven partitioning of surfactants between the two leaflets of the lamella. Local proton diffusion within the pore is significantly faster than diffusion at the bilayer surface, which is duemore » to the greater hydrophobicity of the surfactant/water interface within the pore. Proton diffusion proceeds by surface transport along exposed hydrophobic pockets at the surfactant/water interface and depends on the continuity of hydronium–water hydrogen bond networks. At the bilayer surface, there is a reduced fraction of the “Zundel” intermediates that are central to the Grotthuss transport mechanism, whereas the fraction of these species within the bilayer pore is similar to that in bulk water. Our results demonstrate that the chemical nature of the confining interface, in addition to confinement length scale, is an important determiner of local proton transport in nanoconfined aqueous environments.« less

Nanostructural surface engineering of grafted polymers on inorganic oxide substrates for membrane separations

NASA Astrophysics Data System (ADS)

Yoshida, Wayne Hiroshi

Nanostructural engineering of inorganic substrates by free radical graft polymerization was studied with the goal of developing new membrane materials for pervaporation. Graft polymerization consisted of modification of surface hydroxyls with vinyl trimethoxysilane, followed by solution graft polymerization reaction using either vinyl acetate (VAc) or vinyl pyrrolidone (VP). The topology of the modified surfaces was studied by atomic force microscopy (AFM) on both atomically smooth silicon wafer substrates and microporous inorganic membrane supports in order to deduce the effects of modification on the nanostructural properties of the membrane. While unmodified wafers showed a root-mean-square (RMS) surface roughness of 0.21 +/- 0.03 nm, roughness increased to 3.15 +/- 0.23 nm upon silylation. Under poor solvent conditions (i.e., air), surfaces modified with higher poly(vinyl acetate) (PVAc) or poly(vinyl pyrrolidone) (PVP) polymer graft yields displayed lateral inhomogeneities in the polymer layer. Although RMS surface roughness was nearly identical (0.81--0.85 nm) for PVAc-modified surfaces grafted at different monomer concentrations, the skewness of the height distribution decreased from 2.22 to 0.78 as polymer graft yield increased from 0.8 to 3.5 mg/m2. The polymer-modified surfaces were used to create inorganic pervaporation membranes consisting of a single macromolecular separation layer formed by graft polymerization. PVAc grafted silica membranes (500A native pore size) were found selective for MTBE in the separation of 0.1--1% (v/v) MTBE from water, achieving MTBE enrichment factors as high as 371 at a permeate flux of 0.38 l/m2 hr and a Reynolds number of 6390; however, these membranes could not separate anhydrous organic mixtures. Pervaporative separation of methanol/MTBE mixtures was possible with PVAc and PVP-modified alumina supports of 50A native pore size, where the separation layer consisted of grafted polymer chains with estimated radius of gyration 4.5--6.8 times larger than the membrane pore radius. Methanol separation factors for the PVP and PVAc-grafted alumina pervaporation membranes reached values of 26 and 100 (respectively) at total permeate fluxes of 0.055--1.26 kg/m 2 hr and 0.55--6.19 kg/m2 hr. The present study demonstrated that selective pervaporation membranes for separation of both organic/organic and organic/aqueous mixtures can be effectively designed by careful selection of the surface-grafted polymer chain density and the ratio of the polymer chain size to the native support pore size.

Nanostructured mesoporous silica: influence of the preparation conditions on the physical-surface properties for efficient organic dye uptake

NASA Astrophysics Data System (ADS)

Morsi, Rania E.; Mohamed, Rasha S.

2018-03-01

A series of ordered mesoporous silica such as MCM-41, SBA-3 and SBA-15, in addition to silica micro- (SM) and nano- (SN) mesoporous particles, were prepared. The preparation conditions were found to greatly influence the physical-surface properties including morphological structure, porosity, particle size, aggregate average size, surface area, pore size, pore volume and zeta potential of the prepared silica, while the chemical structure, predicted from FT-IR spectra, and the diffraction patterns, predicted from wide-angle X-ray diffraction spectra, were identical. Surface areas of approximately 1500, 1027, 600, 552 and 317 m2 g-1, pore volumes of 0.93, 0.56, 0.82, 0.72 and 0.5 cm3 g-1, radii of 2.48, 2.2, 5.66, 6.6 and 8.98 nm, average aggregate sizes of 56, 65.4, 220.9, 73, 61.1 and 261 nm and zeta potential values of -32.8, -46.1, -26.3, -31.4 and -25.9 mV were obtained for MCM-41, SBA-3, SBA-15, SN and SM, respectively. Methylene blue dye uptake capacity of the prepared silica types was investigated using the batch technique and, in addition, the most effective material was further studied by the column flow system. The kinetics and isotherms of the uptake process were studied. The morphological structure, surface area, pore radius and zeta potential values were the most correlated factors.

Finite-element simulations of the influence of pore wall adsorption on cyclic voltammetry of ion transfer across a liquid-liquid interface formed at a micropore.

PubMed

Ellis, Jonathan S; Strutwolf, Jörg; Arrigan, Damien W M

2012-02-21

Adsorption onto the walls of micropores was explored by computational simulations involving cyclic voltammetry of ion transfer across an interface between aqueous and organic phases located at the micropore. Micro-interfaces between two immiscible electrolyte solutions (micro-ITIES) have been of particular research interest in recent years and show promise for biosensor and biomedical applications. The simulation model combines diffusion to and within the micropore, Butler-Volmer kinetics for ion transfer at the liquid-liquid interface, and Langmuir-style adsorption on the pore wall. Effects due to pore radius, adsorption and desorption rates, surface adsorption site density, and scan rates were examined. It was found that the magnitude of the reverse peak current decreased due to adsorption of the transferring ion on the pore wall; this decrease was more marked as the scan rate was increased. There was also a shift in the half-wave potential to lower values following adsorption, consistent with a wall adsorption process which provides a further driving force to transfer ions across the ITIES. Of particular interest was the disappearance of the reverse peak from the cyclic voltammogram at higher scan rates, compared to the increase in the reverse peak size in the absence of wall adsorption. This occurred for scan rates of 50 mV s(-1) and above and may be useful in biosensor applications using micropore-based ITIES.

Nanostructured mesoporous silica: influence of the preparation conditions on the physical-surface properties for efficient organic dye uptake.

PubMed

Morsi, Rania E; Mohamed, Rasha S

2018-03-01

A series of ordered mesoporous silica such as MCM-41, SBA-3 and SBA-15, in addition to silica micro- (SM) and nano- (SN) mesoporous particles, were prepared. The preparation conditions were found to greatly influence the physical-surface properties including morphological structure, porosity, particle size, aggregate average size, surface area, pore size, pore volume and zeta potential of the prepared silica, while the chemical structure, predicted from FT-IR spectra, and the diffraction patterns, predicted from wide-angle X-ray diffraction spectra, were identical. Surface areas of approximately 1500, 1027, 600, 552 and 317 m 2  g -1 , pore volumes of 0.93, 0.56, 0.82, 0.72 and 0.5 cm 3  g -1 , radii of 2.48, 2.2, 5.66, 6.6 and 8.98 nm, average aggregate sizes of 56, 65.4, 220.9, 73, 61.1 and 261 nm and zeta potential values of -32.8, -46.1, -26.3, -31.4 and -25.9 mV were obtained for MCM-41, SBA-3, SBA-15, SN and SM, respectively. Methylene blue dye uptake capacity of the prepared silica types was investigated using the batch technique and, in addition, the most effective material was further studied by the column flow system. The kinetics and isotherms of the uptake process were studied. The morphological structure, surface area, pore radius and zeta potential values were the most correlated factors.

Heat of adsorption, adsorption stress, and optimal storage of methane in slit and cylindrical carbon pores predicted by classical density functional theory.

PubMed

Hlushak, Stepan

2018-01-03

Temperature, pressure and pore-size dependences of the heat of adsorption, adsorption stress, and adsorption capacity of methane in simple models of slit and cylindrical carbon pores are studied using classical density functional theory (CDFT) and grand-canonical Monte-Carlo (MC) simulation. Studied properties depend nontrivially on the bulk pressure and the size of the pores. Heat of adsorption increases with loading, but only for sufficiently narrow pores. While the increase is advantageous for gas storage applications, it is less significant for cylindrical pores than for slits. Adsorption stress and the average adsorbed fluid density show oscillatory dependence on the pore size and increase with bulk pressure. Slit pores exhibit larger amplitude of oscillations of the normal adsorption stress with pore size increase than cylindrical pores. However, the increase of the magnitude of the adsorption stress with bulk pressure increase is more significant for cylindrical than for slit pores. Adsorption stress appears to be negative for a wide range of pore sizes and external conditions. The pore size dependence of the average delivered density of the gas is analyzed and the optimal pore sizes for storage applications are estimated. The optimal width of slit pore appears to be almost independent of storage pressure at room temperature and pressures above 10 bar. Similarly to the case of slit pores, the optimal radius of cylindrical pores does not exhibit much dependence on the storage pressure above 15 bar. Both optimal width and optimal radii of slit and cylindrical pores increase as the temperature decreases. A comparison of the results of CDFT theory and MC simulations reveals subtle but important differences in the underlying fluid models employed by the approaches. The differences in the high-pressure behaviour between the hard-sphere 2-Yukawa and Lennard-Jones models of methane, employed by the CDFT and MC approaches, respectively, result in an overestimation of the heat of adsorption by the CDFT theory at higher loadings. However, both adsorption stress and adsorption capacity appear to be much less sensitive to the differences between the models and demonstrate excellent agreement between the theory and the computer experiment.

NiMg/Ceria-Zirconia Cylindrical Pellet Catalysts for Tri-reforming of Surrogate Biogas

DOE PAGES

Zhao, Xianhui; Walker, Devin; Maiti, Debtanu; ...

2017-12-22

Cylindrical NiMg/Ce 0.6Zr 0.4O 2 pellet catalysts with two different sizes (large: radius = 1.59 mm; and small: radius = 0.75 mm) were produced by extrusion of powder catalysts. The small catalyst pellets had a higher specific surface area, pore volume, average pore size, radial crush strength, and resistance to breakage than the large ones. Tri-reforming tests with surrogate biogas were conducted at 3 bar and 882 °C, with the feed molar ratios of CH 4: CO 2: air fixed at 1.0: 0.7: 0.95 and the H 2O/CH 4 molar feed ratio (0.35 – 1.16) varied. The small catalyst pelletsmore » exhibited lower internal mass transfer resistance and higher coking resistance, compared to the large ones. CO 2 conversion decreased and H 2/CO molar ratio increased with the increase of H 2O/CH 4 molar feed ratio, which are consistent with the trends predicted by thermodynamic equilibrium calculations. Finally, the results indicate that the NiMg/Ce 0.6Zr 0.4O 2 catalyst pellets are promising for commercial scale applications.« less

Synthesis and characterization of aluminosilicate catalyst impregnated by nickel oxide

NASA Astrophysics Data System (ADS)

Maulida, Iffana Dani; Sriatun, Taslimah

2015-09-01

Aluminosilicate as a catalyst has been synthesized by pore-engineering using CetylTrimethylAmmonium-Bromide (CTAB) as templating agent. It can produce bigger aluminosilicate pore therefore it will be more suitable for bulky molecule. The aims of this research are to synthesize aluminosilicate supported by Nickel, using CTAB surfactant as templating agent for larger pore radius than natural zeolite and characterize the synthesis product, consist of total acid sites and surface area characteristic. This research has been done with following steps. First, making sodium silicate and sodium aluminate. Second, aluminosilicate was synthesized by direct methods, calcined at 550, 650 and 750°C variation temperature, characterized product by X-RD and FTIR spectrometer. Third, NiCl2 was impregnated to the aluminosilicate that has the best cristallinity and main TO4 functional groups product (550 sample). Variation of NiCl2:aluminosilicate (w/w) ratio were 25%:75%, 50%:50% and 75%:25%. Last but not least characterization of catalytic properties was performed. It comprised total acidity test (gravimetric method) and Surface Area Analyzer. The result shows that the product synthesized by direct method at 550oC calcination temperature has the best cristallinity and main functional groups of TO4. The highest total acid sites was 31.6 mmole/g (Imp-A sample). Surface Area Analyzer shows that Imp-B sample has the best pore distribution and highest total pore volume and specific surface area with value 32.424 cc/g and 46.8287 m2/g respectively. We can draw the conclusion that the most potential catalyst is Imp-A sample compared to Imp-B and Imp-C because it has the highest total acid sites. However the most effective catalyst used for product selectivity was Imp-B sample among all samples.

Procedures and computer program for deriving the Ferguson plot from electrophoresis in a single pore gradient gel: application to agarose gel and a polystyrene particle.

PubMed

Tietz, D; Gombocz, E; Chrambach, A

1991-10-01

This study presents a computerized evaluation of pore gradient gel electrophoretograms to arrive at estimates for both the particle-free mobility and retardation coefficient, which is related to particle size. Agarose pore gradient gels ranging from 0.2 to 1.1% agarose were formed. Gel gradients were stabilized during their formation by a density gradient of 0-20% 5-(N-2,3-dihydroxypropylacetamido)- 2,4,6-triiodo-N,N'bis-(2,3-dihydroxypropyl)-isophthalamide (Nycodenz). Densitometry of gelled-in Bromophenol Blue showed that these pore gradients exhibited a linear central segment and were reproducible. Migration distances of polystyrene sulfate microspheres (36.5 nm radius) in agarose pore gradient gel electrophoresis were determined by time-lapse photography at several durations of electrophoresis. These migration distances were evaluated as a function of migration time as previously reported (D. Tietz, Adv. Electrophoresis 1988, 2, 109-169). Although this is not necessarily required, the mathematical approach used in this study assumed linearity of both the pore gradient and the Ferguson plot for reasons of simplicity. The data evaluation on the basis of the extended Ogston model is incorporated in a user-friendly program, GRADFIT, which is designed for personal computers (Macintosh). The results obtained are compared with (1) conventional electrophoresis using several gels of single concentration with and without Nycodenz, and (ii) a different mathematical approach for the analysis of gradient gels (Rodbard et al., Anal. Biochem. 1971, 40, 135-157). Moreover, a simple procedure for evaluating linear pore gradient gels using linear regression analysis is presented. It is concluded that the values of particle-free mobility and retardation coefficient derived from pore gradient gel electrophoresis using the different mathematical methods are statistically indistinguishable from each other. However, these values are different, albeit close, to those obtained from conventional Ferguson plots. One of the possible reasons for this relatively minor discrepancy is that the particle-free mobility changed slightly during electrophoresis, which has a different effect on electrophoresis in homogeneous gels (single time measurement) and pore gradient gels (multiple time measurements). The characterization of particles according to size and charge by pore gradient electrophoresis provides a significant operational simplification and sample economy compared to that requiring the use of several gel concentrations, although at the price of increased requirements of instrumentation.

Removal of haloacetic acids from swimming pool water by reverse osmosis and nanofiltration.

PubMed

Yang, Linyan; She, Qianhong; Wan, Man Pun; Wang, Rong; Chang, Victor W-C; Tang, Chuyang Y

2017-06-01

Recent studies report high concentrations of haloacetic acids (HAAs), a prevalent class of toxic disinfection by-products, in swimming pool water (SPW). We investigated the removal of 9 HAAs by four commercial reverse osmosis (RO) and nanofiltration (NF) membranes. Under typical SPW conditions (pH 7.5 and 50 mM ionic strength), HAA rejections were >60% for NF270 with molecular weight cut-off (MWCO) equal to 266 Da and equal or higher than 90% for XLE, NF90 and SB50 with MWCOs of 96, 118 and 152 Da, respectively, as a result of the combined effects of size exclusion and charge repulsion. We further included 7 neutral hydrophilic surrogates as molecular probes to resolve the rejection mechanisms. In the absence of strong electrostatic interaction (e.g., pH 3.5), the rejection data of HAAs and surrogates by various membranes fall onto an identical size-exclusion (SE) curve when plotted against the relative-size parameter, i.e., the ratio of molecular radius over membrane pore radius. The independence of this SE curve on molecular structures and membrane properties reveals that the relative-size parameter is a more fundamental SE descriptor compared to molecular weight. An effective molecular size with the Stokes radius accounting for size exclusion and the Debye length accounting for electrostatic interaction was further used to evaluate the rejection. The current study provides valuable insights on the rejection of trace contaminants by RO/NF membranes. Copyright © 2017. Published by Elsevier Ltd.

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.

Reproducibility of Direct Quantitative Measures of Cortical Bone Micro-architecture of the Distal Radius and Tibia by HR-pQCT

PubMed Central

Burghardt, Andrew J.; Buie, Helen R.; Laib, Andres; Majumdar, Sharmila; Boyd, Steven K.

2010-01-01

Quantitative cortical micro-architectural endpoints are important for understanding structure-function relations in the context of fracture risk and therapeutic efficacy. This technique study details new image-processing methods to automatically segment and directly quantify cortical density, geometry, and micro-architecture from HR-pQCT images of the distal radius and tibia. An automated segmentation technique was developed to identify the periosteal and endosteal margins of the distal radius and tibia, and detect intra-cortical pore space morphologically consistent with Haversian canals. The reproducibility of direct quantitative cortical bone indices based on this method was assessed in a pooled dataset of 56 subjects with two repeat acquisitions for each site. The in vivo precision error was characterized using root mean square coefficient of variation (RMSCV%) from which, the least significant change (LSC) was calculated. Bland-Altman plots were used to characterize bias in the precision estimates. The reproducibility of cortical density and cross-sectional area measures was high (RMSCV <1% and <1.5%, respectively) with good agreement between young and elder medians. The LSC for cortical porosity (Ct.Po) was somewhat smaller in the radius (0.58%) compared with the distal tibia (0.84%) and significantly different between young and elder medians in the distal tibia (LSC: 0.75% vs. 0.92%; p<0.001). The LSC for pore diameter and distribution (Po.Dm and Po.Dm.SD) ranged between 15 and 23μm. Bland-Altman analysis revealed moderate bias for integral measures of area and volume, but not density nor microarchitecture. This study indicates HR-pQCT measures of cortical bone density and architecture can be measured in vivo with high reproducibility and limited bias across a biologically relevant range of values. The results of this study provide informative data for the design of future clinical studies of bone quality. PMID:20561906

Calculating Transition Energy Barriers and Characterizing Activation States for Steps of Fusion

PubMed Central

Ryham, Rolf J.; Klotz, Thomas S.; Yao, Lihan; Cohen, Fredric S.

2016-01-01

We use continuum mechanics to calculate an entire least energy pathway of membrane fusion, from stalk formation, to pore creation, and through fusion pore enlargement. The model assumes that each structure in the pathway is axially symmetric. The static continuum stalk structure agrees quantitatively with experimental stalk architecture. Calculations show that in a stalk, the distal monolayer is stretched and the stored stretching energy is significantly less than the tilt energy of an unstretched distal monolayer. The string method is used to determine the energy of the transition barriers that separate intermediate states and the dynamics of two bilayers as they pass through them. Hemifusion requires a small amount of energy independently of lipid composition, while direct transition from a stalk to a fusion pore without a hemifusion intermediate is highly improbable. Hemifusion diaphragm expansion is spontaneous for distal monolayers containing at least two lipid components, given sufficiently negative diaphragm spontaneous curvature. Conversely, diaphragms formed from single-component distal monolayers do not expand without the continual injection of energy. We identify a diaphragm radius, below which central pore expansion is spontaneous. For larger diaphragms, prior studies have shown that pore expansion is not axisymmetric, and here our calculations supply an upper bound for the energy of the barrier against pore formation. The major energy-requiring deformations in the steps of fusion are: widening of a hydrophobic fissure in bilayers for stalk formation, splay within the expanding hemifusion diaphragm, and fissure widening initiating pore formation in a hemifusion diaphragm. PMID:26958888

An improved method for permeability estimation of the bioclastic limestone reservoir based on NMR data

NASA Astrophysics Data System (ADS)

Ge, Xinmin; Fan, Yiren; Liu, Jianyu; Zhang, Li; Han, Yujiao; Xing, Donghui

2017-10-01

Permeability is an important parameter in formation evaluation since it controls the fluid transportation of porous rocks. However, it is challengeable to compute the permeability of bioclastic limestone reservoirs by conventional methods linking petrophysical and geophysical data, due to the complex pore distributions. A new method is presented to estimate the permeability based on laboratory and downhole nuclear magnetic resonance (NMR) measurements. We divide the pore space into four intervals by the inflection points between the pore radius and the transversal relaxation time. Relationships between permeability and percentages of different pore intervals are investigated to investigate influential factors on the fluid transportation. Furthermore, an empirical model, which takes into account of the pore size distributions, is presented to compute the permeability. 212 core samples in our case show that the accuracy of permeability calculation is improved from 0.542 (SDR model), 0.507 (TIM model), 0.455 (conventional porosity-permeability regressions) to 0.803. To enhance the precision of downhole application of the new model, we developed a fluid correction algorithm to construct the water spectrum of in-situ NMR data, aiming to eliminate the influence of oil on the magnetization. The result reveals that permeability is positively correlated with percentages of mega-pores and macro-pores, but negatively correlated with the percentage of micro-pores. Poor correlation is observed between permeability and the percentage of meso-pores. NMR magnetizations and T2 spectrums after the fluid correction agree well with laboratory results for samples saturated with water. Field application indicates that the improved method provides better performance than conventional models such as Schlumberger-Doll Research equation, Timur-Coates equation, and porosity-permeability regressions.

Optimal probes for withdrawal of uncontaminated fluid samples

NASA Astrophysics Data System (ADS)

Sherwood, J. D.

2005-08-01

Withdrawal of fluid by a composite probe pushed against the face z =0 of a porous half-space z >0 is modeled assuming incompressible Darcy flow. The probe is circular, of radius a, with an inner sampling section of radius αa and a concentric outer guard probe αa βa is saturated with fluid 2; the two fluids have the same viscosity. It is assumed that the interface between the two fluids is sharp and remains so as it moves through the rock. The pressure in the probe is lower than that of the pore fluid in the rock, so that the fluid interface is convected with the fluids towards the probe. This idealized axisymmetric problem is solved numerically, and it is shown that an analysis based on far-field spherical flow towards a point sink is a good approximation when the nondimensional depth of fluid 1 is large, i.e., β ≫1. The inner sampling probe eventually produces pure fluid 2, and this technique has been proposed for sampling pore fluids in rock surrounding an oil well [A. Hrametz, C. Gardner, M. Wais, and M. Proett, U.S. Patent No. 6,301,959 B1 (16 October 2001)]. Fluid 1 is drilling fluid filtrate, which has displaced the original pore fluid (fluid 2), a pure sample of which is required. The time required to collect an uncontaminated sample of original pore fluid can be minimized by a suitable choice of the probe geometry α [J. Sherwood, J. Fitzgerald and B. Hill, U.S. Patent No. 6,719,049 B2 (13 April 2004)]. It is shown that the optimal choice of α depends on the depth of filtrate invasion β and the volume of sample required.

A lattice Boltzmann investigation of steady-state fluid distribution, capillary pressure and relative permeability of a porous medium: Effects of fluid and geometrical properties

NASA Astrophysics Data System (ADS)

Li, Zi; Galindo-Torres, Sergio; Yan, Guanxi; Scheuermann, Alexander; Li, Ling

2018-06-01

Simulations of simultaneous steady-state two-phase flow in the capillary force-dominated regime were conducted using the state-of-the-art Shan-Chen multi-component lattice Boltzmann model (SCMC-LBM) based on two-dimensional porous media. We focused on analyzing the fluid distribution (i.e., WP fluid-solid, NP fluid-solid and fluid-fluid interfacial areas) as well as the capillary pressure versus saturation curve which was affected by fluid and geometrical properties (i.e., wettability, adhesive strength, pore size distribution and specific surface area). How these properties influenced the relative permeability versus saturation relation through apparent effective permeability and threshold pressure gradient was also explored. The SCMC-LBM simulations showed that, a thin WP fluid film formed around the solid surface due to the adhesive fluid-solid interaction, resulting in discrete WP fluid distributions and reduction of the WP fluid mobility. Also, the adhesive interaction provided another source of capillary pressure in addition to capillary force, which, however, did not affect the mobility of the NP fluid. The film fluid effect could be enhanced by large adhesive strength and fine pores in heterogeneous porous media. In the steady-state infiltration, not only the NP fluid but also the WP fluid were subjected to the capillary resistance. The capillary pressure effect could be alleviated by decreased wettability, large average pore radius and improved fluid connectivity in heterogeneous porous media. The present work based on the SCMC-LBM investigations elucidated the role of film fluid as well as capillary pressure in the two-phase flow system. The findings have implications for ways to improve the macroscopic flow equation based on balance of force for the steady-state infiltration.

Removal of organic contaminants by RO and NF membranes

NASA Technical Reports Server (NTRS)

Yoon, Yeomin; Lueptow, Richard M.

2005-01-01

Rejection characteristics of organic and inorganic compounds were examined for six reverse osmosis (RO) membranes and two nanofiltration (NF) membranes that are commercially available. A batch stirred-cell was employed to determine the membrane flux and the solute rejection for solutions at various concentrations and different pH conditions. The results show that for ionic solutes the degree of separation is influenced mainly by electrostatic exclusion, while for organic solutes the removal depends mainly upon the solute radius and molecular structure. In order to provide a better understanding of rejection mechanisms for the RO and NF membranes, the ratio of solute radius (r(i,s)) to effective membrane pore radius (r(p)) was employed to compare rejections. An empirical relation for the dependence of the rejection of organic compounds on the ratio r(i,s)/r(p) is presented. The rejection for organic compounds is over 75% when r(i,s)/r(p) is greater than 0.8. In addition, the rejection of organic compounds is examined using the extended Nernst-Planck equation coupled with a steric hindrance model. The transport of organic solutes is controlled mainly by diffusion for the compounds that have a high r(i,s)/r(p) ratio, while convection is dominant for compounds that have a small r(i,s)/r(p) ratio. c2005 Elsevier B.V. All rights reserved.

Energetics and Self-Assembly of Amphipathic Peptide Pores in Lipid Membranes

PubMed Central

Zemel, Assaf; Fattal, Deborah R.; Ben-Shaul, Avinoam

2003-01-01

We present a theoretical study of the energetics, equilibrium size, and size distribution of membrane pores composed of electrically charged amphipathic peptides. The peptides are modeled as cylinders (mimicking α-helices) carrying different amounts of charge, with the charge being uniformly distributed over a hydrophilic face, defined by the angle subtended by polar amino acid residues. The free energy of a pore of a given radius, R, and a given number of peptides, s, is expressed as a sum of the peptides' electrostatic charging energy (calculated using Poisson-Boltzmann theory), and the lipid-perturbation energy associated with the formation of a membrane rim (which we model as being semitoroidal) in the gap between neighboring peptides. A simple phenomenological model is used to calculate the membrane perturbation energy. The balance between the opposing forces (namely, the radial free energy derivatives) associated with the electrostatic free energy that favors large R, and the membrane perturbation term that favors small R, dictates the equilibrium properties of the pore. Systematic calculations are reported for circular pores composed of various numbers of peptides, carrying different amounts of charge (1–6 elementary, positive charges) and characterized by different polar angles. We find that the optimal R's, for all (except, possibly, very weakly) charged peptides conform to the “toroidal” pore model, whereby a membrane rim larger than ∼1 nm intervenes between neighboring peptides. Only weakly charged peptides are likely to form “barrel-stave” pores where the peptides essentially touch one another. Treating pore formation as a two-dimensional self-assembly phenomenon, a simple statistical thermodynamic model is formulated and used to calculate pore size distributions. We find that the average pore size and size polydispersity increase with peptide charge and with the amphipathic polar angle. We also argue that the transition of peptides from the adsorbed to the inserted (membrane pore) state is cooperative and thus occurs rather abruptly upon a change in ambient conditions. PMID:12668433

Dynamic transverse shear modulus for a heterogeneous fluid-filled porous solid containing cylindrical inclusions

NASA Astrophysics Data System (ADS)

Song, Yongjia; Hu, Hengshan; Rudnicki, John W.; Duan, Yunda

2016-09-01

An exact analytical solution is presented for the effective dynamic transverse shear modulus in a heterogeneous fluid-filled porous solid containing cylindrical inclusions. The complex and frequency-dependent properties of the dynamic shear modulus are caused by the physical mechanism of mesoscopic-scale wave-induced fluid flow whose scale is smaller than wavelength but larger than the size of pores. Our model consists of three phases: a long cylindrical inclusion, a cylindrical shell of poroelastic matrix material with different mechanical and/or hydraulic properties than the inclusion and an outer region of effective homogeneous medium of laterally infinite extent. The behavior of both the inclusion and the matrix is described by Biot's consolidation equations, whereas the surrounding effective medium which is used to describe the effective transverse shear properties of the inner poroelastic composite is assumed to be a viscoelastic solid whose complex transverse shear modulus needs to be determined. The determined effective transverse shear modulus is used to quantify the S-wave attenuation and velocity dispersion in heterogeneous fluid-filled poroelastic rocks. The calculation shows the relaxation frequency and relative position of various fluid saturation dispersion curves predicted by this study exhibit very good agreement with those of a previous 2-D finite-element simulation. For the double-porosity model (inclusions having a different solid frame than the matrix but the same pore fluid as the matrix) the effective shear modulus also exhibits a size-dependent characteristic that the relaxation frequency moves to lower frequencies by two orders of magnitude if the radius of the cylindrical poroelastic composite increases by one order of magnitude. For the patchy-saturation model (inclusions having the same solid frame as the matrix but with a different pore fluid from the matrix), the heterogeneity in pore fluid cannot cause any attenuation in the transverse shear modulus at all. A comparison with the case of spherical inclusions illustrates that the transverse shear modulus for the cylindrical inclusion exhibits more S-wave attenuation than spherical inclusions.

AC electroosmosis in microchannels packed with a porous medium

NASA Astrophysics Data System (ADS)

Kang, Yuejun; Yang, Chun; Huang, Xiaoyang

2004-08-01

This paper presents a theoretical study on ac-driven electroosmotic flow in both open-end and closed-end microchannels packed with uniform charged spherical microparticles. The time-periodic oscillating electroosmotic flow in an open-end capillary in response to the application of an alternating (ac) electric field is obtained using the Green function approach. The analysis is based on the Carman-Kozeny theory. The backpressure associated with the counter-flow in a closed-end capillary is obtained by analytically solving the modified Brinkman momentum equation. It is demonstrated that in a microchannel with its two ends connected to reservoirs and subject to ambient pressure, the oscillating Darcy velocity profile depends on both the pore size and the excitation frequency; such effects are coupled through an important aspect ratio of the tubule radius to the Stokes penetration depth. For a fixed pore size, the magnitude of the ac electroosmotic flow decreases with increasing frequency. With increasing pore size, however, the magnitude of the maximum velocity shows two different trends with respect to the excitation frequency: it gets higher in the low frequency domain, and gets lower in the high frequency domain. In a microchannel with closed ends, for a fixed excitation frequency, use of smaller packing particles can generate higher backpressure. For a fixed pore size, the backpressure magnitude shows two different trends changing with the excitation frequency. When the excitation frequency is lower than the system characteristic frequency, the backpressure decreases with increasing excitation frequency. When the excitation frequency is higher than the system characteristic frequency, the backpressure increases with increasing excitation frequency.

Nanostructured mesoporous silica: influence of the preparation conditions on the physical-surface properties for efficient organic dye uptake

PubMed Central

Mohamed, Rasha S.

2018-01-01

A series of ordered mesoporous silica such as MCM-41, SBA-3 and SBA-15, in addition to silica micro- (SM) and nano- (SN) mesoporous particles, were prepared. The preparation conditions were found to greatly influence the physical-surface properties including morphological structure, porosity, particle size, aggregate average size, surface area, pore size, pore volume and zeta potential of the prepared silica, while the chemical structure, predicted from FT-IR spectra, and the diffraction patterns, predicted from wide-angle X-ray diffraction spectra, were identical. Surface areas of approximately 1500, 1027, 600, 552 and 317 m2 g−1, pore volumes of 0.93, 0.56, 0.82, 0.72 and 0.5 cm3 g−1, radii of 2.48, 2.2, 5.66, 6.6 and 8.98 nm, average aggregate sizes of 56, 65.4, 220.9, 73, 61.1 and 261 nm and zeta potential values of −32.8, −46.1, −26.3, −31.4 and −25.9 mV were obtained for MCM-41, SBA-3, SBA-15, SN and SM, respectively. Methylene blue dye uptake capacity of the prepared silica types was investigated using the batch technique and, in addition, the most effective material was further studied by the column flow system. The kinetics and isotherms of the uptake process were studied. The morphological structure, surface area, pore radius and zeta potential values were the most correlated factors. PMID:29657800

Analyzing adsorption characteristics of CO2, N2 and H2O in MCM-41 silica by molecular simulation

NASA Astrophysics Data System (ADS)

Chang, Shing-Cheng; Chien, Shih-Yao; Chen, Chieh-Li; Chen, Cha'o.-Kuang

2015-03-01

The adsorption characteristics of carbon dioxide, nitrogen and water molecules in MCM-41 mesoporous molecular sieve have been investigated by the molecular simulation. We evaluate the pressure-adsorption isotherms and adsorption density profiles under variant gas pressure, operating temperature and mesopore radius of MCM-41 by the grand canonical Monte Carlo simulation. According to the calculated adsorption energy distributions, the adsorption mechanisms of gas in MCM-41 are mainly divided into three types, namely "surface adsorption" on the pore wall, "multilayer adsorption" on the adsorbed gas molecules and "molecular self-aggregation" near the pore center. In addition, the adsorption characteristics of water molecules in MCM-41 are found to be quite different from those of carbon dioxide and nitrogen due to the hydrogen bonds effect. The results indicate that the MCM-41 is practicable in engineering application for the capture, storage, and re-use of water molecules, since it is temperature-sensitive and can achieve significant adsorption loadings within a small range of pressure values via the capillary condensation phenomena.

Influence of system size and solvent flow on the distribution of wormlike micelles in a contraction-expansion geometry

NASA Astrophysics Data System (ADS)

Stukan, M. R.; Boek, E. S.; Padding, J. T.; Crawshaw, J. P.

2008-05-01

Viscoelastic wormlike micelles are formed by surfactants assembling into elongated cylindrical structures. These structures respond to flow by aligning, breaking and reforming. Their response to the complex flow fields encountered in porous media is particularly rich. Here we use a realistic mesoscopic Brownian Dynamics model to investigate the flow of a viscoelastic surfactant (VES) fluid through individual pores idealized as a step expansion-contraction of size around one micron. In a previous study, we assumed the flow field to be Newtonian. Here we extend the work to include the non-Newtonian flow field previously obtained by experiment. The size of the simulations is also increased so that the pore is much larger than the radius of gyration of the micelles. For the non-Newtonian flow field at the higher flow rates in relatively large pores, the density of the micelles becomes markedly non-uniform. In this case, we find that the density in the large, slowly moving entry corner regions is substantially increased.

Brownian dynamics of a protein-polymer chain complex in a solid-state nanopore

NASA Astrophysics Data System (ADS)

Wells, Craig C.; Melnikov, Dmitriy V.; Gracheva, Maria E.

2017-08-01

We study the movement of a polymer attached to a large protein inside a nanopore in a thin silicon dioxide membrane submerged in an electrolyte solution. We use Brownian dynamics to describe the motion of a negatively charged polymer chain of varying lengths attached to a neutral protein modeled as a spherical bead with a radius larger than that of the nanopore, allowing the chain to thread the nanopore but preventing it from translocating. The motion of the protein-polymer complex within the pore is also compared to that of a freely translocating polymer. Our results show that the free polymer's standard deviations in the direction normal to the pore axis is greater than that of the protein-polymer complex. We find that restrictions imposed by the protein, bias, and neighboring chain segments aid in controlling the position of the chain in the pore. Understanding the behavior of the protein-polymer chain complex may lead to methods that improve molecule identification by increasing the resolution of ionic current measurements.

Brownian dynamics of a protein-polymer chain complex in a solid-state nanopore.

PubMed

Wells, Craig C; Melnikov, Dmitriy V; Gracheva, Maria E

2017-08-07

We study the movement of a polymer attached to a large protein inside a nanopore in a thin silicon dioxide membrane submerged in an electrolyte solution. We use Brownian dynamics to describe the motion of a negatively charged polymer chain of varying lengths attached to a neutral protein modeled as a spherical bead with a radius larger than that of the nanopore, allowing the chain to thread the nanopore but preventing it from translocating. The motion of the protein-polymer complex within the pore is also compared to that of a freely translocating polymer. Our results show that the free polymer's standard deviations in the direction normal to the pore axis is greater than that of the protein-polymer complex. We find that restrictions imposed by the protein, bias, and neighboring chain segments aid in controlling the position of the chain in the pore. Understanding the behavior of the protein-polymer chain complex may lead to methods that improve molecule identification by increasing the resolution of ionic current measurements.

Thermal diffusion of radon in porous media.

PubMed

Minkin, L

2003-01-01

Based on the non-intersection model of cylindrical capillaries, the mean radius of the pores of some soils and building materials are estimated. In size, the above-mentioned radii are usually of the order of the free path of gas molecules at atmospheric pressure. A review of pore size distribution data also reveals that a large fraction of concrete pores belong to Knudsen's region. This fact indicates that the thermal gradient in these media must cause gas (radon) transport. The interpretation of the experimental data concerning the rate of emanation of 222Rn from a concrete-capped source subjected to a sudden increase in temperature is given, based on irreversible thermodynamics theory. The calculations given here for radon flux, caused by concentration and thermal gradients, are in satisfactory agreement with the experimental data. It is shown that thermodiffusion can significantly contribute to radon flux in concrete. The need to include the thermodiffusion radon flux in the radon entry model is discussed.

Calculating Transition Energy Barriers and Characterizing Activation States for Steps of Fusion.

PubMed

Ryham, Rolf J; Klotz, Thomas S; Yao, Lihan; Cohen, Fredric S

2016-03-08

We use continuum mechanics to calculate an entire least energy pathway of membrane fusion, from stalk formation, to pore creation, and through fusion pore enlargement. The model assumes that each structure in the pathway is axially symmetric. The static continuum stalk structure agrees quantitatively with experimental stalk architecture. Calculations show that in a stalk, the distal monolayer is stretched and the stored stretching energy is significantly less than the tilt energy of an unstretched distal monolayer. The string method is used to determine the energy of the transition barriers that separate intermediate states and the dynamics of two bilayers as they pass through them. Hemifusion requires a small amount of energy independently of lipid composition, while direct transition from a stalk to a fusion pore without a hemifusion intermediate is highly improbable. Hemifusion diaphragm expansion is spontaneous for distal monolayers containing at least two lipid components, given sufficiently negative diaphragm spontaneous curvature. Conversely, diaphragms formed from single-component distal monolayers do not expand without the continual injection of energy. We identify a diaphragm radius, below which central pore expansion is spontaneous. For larger diaphragms, prior studies have shown that pore expansion is not axisymmetric, and here our calculations supply an upper bound for the energy of the barrier against pore formation. The major energy-requiring deformations in the steps of fusion are: widening of a hydrophobic fissure in bilayers for stalk formation, splay within the expanding hemifusion diaphragm, and fissure widening initiating pore formation in a hemifusion diaphragm. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Extrusion of transmitter, water and ions generates forces to close fusion pore.

PubMed

Tajparast, M; Glavinović, M I

2009-05-01

During exocytosis the fusion pore opens rapidly, then dilates gradually, and may subsequently close completely, but what controls its dynamics is not well understood. In this study we focus our attention on forces acting on the pore wall, and which are generated solely by the passage of transmitter, ions and water through the open fusion pore. The transport through the charged cylindrical nano-size pore is simulated using a coupled system of Poisson-Nernst-Planck and Navier-Stokes equations and the forces that act radially on the wall of the fusion pore are then estimated. Four forces are considered: a) inertial force, b) pressure, c) viscotic force, and d) electrostatic force. The inertial and viscotic forces are small, but the electrostatic force and the pressure are typically significant. High vesicular pressure tends to open the fusion pore, but the pressure induced by the transport of charged particles (glutamate, ions), which is predominant when the pore wall charge density is high tends to close the pore. The electrostatic force, which also depends on the charge density on the pore wall, is weakly repulsive before the pore dilates, but becomes attractive and pronounced as the pore dilates. Given that the vesicular concentration of free transmitter can change rapidly due to the release, or owing to the dissociation from the gel matrix, we evaluated how much and how rapidly a change of the vesicular K(+)-glutamate(-) concentration affects the concentration of glutamate(-) and ions in the pore and how such changes alter the radial force on the wall of the fusion pore. A step-like rise of the vesicular K(+)-glutamate(-) concentration leads to a chain of events. Pore concentration (and efflux) of both K(+) and glutamate(-) rise reaching their new steady-state values in less than 100 ns. Interestingly within a similar time interval the pore concentration of Na(+) also rises, whereas that of Cl(-) diminishes, although their extra-cellular concentration does not change. Finally such changes affect also the water movement. Water efflux changes bi-phasically, first increasing before decreasing to a new, but lower steady-state value. Nevertheless, even under such conditions an overall approximate neutrality of the pore is maintained remarkably well, and the electrostatic, but also inertial, viscotic and pressure forces acting on the pore wall remain constant. In conclusion the extrusion of the vesicular content generates forces, primarily the force due to the electro-kinetically induced pressure and electrostatic force (both influenced by the pore radius and even more by the charge density on the pore wall), which tend to close the fusion pore.

A fluorescence spectroscopy assay for real-time monitoring of enzyme immobilization into mesoporous silica particles.

PubMed

Nabavi Zadeh, Pegah S; Mallak, Kassam Abdel; Carlsson, Nils; Åkerman, Björn

2015-05-01

Mesoporous silica particles are used as support material for immobilization of enzymes. Here we investigated a fluorescence-based assay for real-time monitoring of the immobilization of lipase, bovine serum albumin, and glucose oxidase into micrometer-sized mesoporous silica particles. The proteins are labeled with the dye epicocconone, and the interaction with the particles is observed as an increase in emission intensity of the protein-dye conjugates that can be quantified if correcting for a comparatively slow photobleaching. The immobilization occurs in tens of minutes to hours depending on particle concentration and type of protein. In the limit of excess particles over proteins, the formation of the particle-protein complexes can be described by a single exponential growth for all three investigated proteins, and the fitted pseudo-first-order rate constant increases linearly with particle concentration for each protein type. The derived second-order rate constant k varies with the protein hydrodynamic radius according to k∼RH(-4.70±0.01), indicating that the rate-limiting step at high particle concentrations is not the diffusional encounter between proteins and particles but rather the entry into the pores, consistent with the hydrodynamic radii of the three proteins being smaller but comparable to the pore radius of the particles. Copyright © 2015 Elsevier Inc. All rights reserved.

Shock Loading of Granular Ni/Al Composites. Part 1. Mechanics of Loading

DOE PAGES

Cherukara, Mathew J.; Germann, Timothy C.; Kober, Edward M.; ...

2014-10-16

We present molecular dynamics simulations of the thermomechanical response under shock loading of a granular material consisting of laminated Ni/Al grains. We observe two regimes: At low piston velocities (up ≲ 1km/s), the shock wave is diffuse, and the width of the shock front decreases with increasing piston velocity. Beyond a critical shock strength, however, the width remains relatively constant at approximately the mean grain radius. This change in behavior follows from an evolution of the mechanism of compaction with increasing insult strength. Furthermore, the mechanism evolves from plastic deformation-mediated pore collapse for relatively weak shocks, to solid extrusion andmore » fluid ejecta filling pores ahead of the shock front at intermediate strengths, and finally to atomic jetting into the pore for very strong shocks (up ≳ 2 km/s). High-energy fluid ejecta into pores leads to the formation of flow vorticity and can result in a large fraction of the input energy localizing into translational kinetic energy components including the formation of hot spots. This has implications for the mechanical mixing of Ni and Al in these reactive composites.« less

Constitutive model for porous materials

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

Weston, A.M.; Lee, E.L.

1982-01-01

A simple pressure versus porosity compaction model is developed to calculate the response of granular porous bed materials to shock impact. The model provides a scheme for calculating compaction behavior when relatively limited material data are available. While the model was developed to study porous explosives and propellants, it has been applied to a much wider range of materials. The early development of porous material models, such as that of Hermann, required empirical dynamic compaction data. Erkman and Edwards successfully applied the early theory to unreacted porous high explosives using a Gruneisen equation of state without yield behavior and withoutmore » trapped gas in the pores. Butcher included viscoelastic rate dependance in pore collapse. The theoretical treatment of Carroll and Holt is centered on the collapse of a circular pore and includes radial inertia terms and a complex set of stress, strain and strain rate constitutive parameters. Unfortunately data required for these parameters are generally not available. The model described here is also centered on the collapse of a circular pore, but utilizes a simpler elastic-plastic static equilibrium pore collapse mechanism without strain rate dependence, or radial inertia terms. It does include trapped gas inside the pore, a solid material flow stress that creates both a yield point and a variation in solid material pressure with radius. The solid is described by a Mie-Gruneisen type EOS. Comparisons show that this model will accurately estimate major mechanical features which have been observed in compaction experiments.« less

A data driven model for the impact of IFT and density variations on CO2 storage capacity in geologic formations

NASA Astrophysics Data System (ADS)

Nomeli, Mohammad A.; Riaz, Amir

2017-09-01

Carbon dioxide (CO2) storage in depleted hydrocarbon reservoirs and deep saline aquifers is one of the most promising solutions for decreasing CO2 concentration in the atmosphere. One of the important issues for CO2 storage in subsurface environments is the sealing efficiency of low-permeable cap-rocks overlying potential CO2 storage reservoirs. Though we focus on the effect of IFT in this study as a factor influencing sealing efficiency or storage capacity, other factors such as interfacial interactions, wettability, pore radius and interfacial mass transfer also affect the mobility and storage capacity of CO2 phase in the pore space. The study of the variation of IFT is however important because the pressure needed to penetrate a pore depends on both the pore size and the interfacial tension. Hence small variations in IFT can affect flow across a large population of pores. A novel model is proposed to find the IFT of the ternary systems (CO2/brine-salt) in a range of temperatures (300-373 K), pressures (50-250 bar), and up to 6 molal salinity applicable to CO2 storage in geological formations through a multi-variant non-linear regression of experimental data. The method uses a general empirical model for the quaternary system CO2/brine-salts that can be made to coincide with experimental data for a variety of solutions. We introduce correction parameters into the model, which compensates for uncertainties, and enforce agreement with experimental data. The results for IFT show a strong dependence on temperature, pressure, and salinity. The model has been found to describe the experimental data in the appropriate parameter space with reasonable precision. Finally, we use the new model to evaluate the effects of formation depth on the actual efficiency of CO2 storage. The results indicate that, in the case of CO2 storage in deep subsurface environments as a global-warming mitigation strategy, CO2 storage capacity increases with reservoir depth.

Evaluation of hydrophilic permeant transport parameters in the localized and non-localized transport regions of skin treated simultaneously with low-frequency ultrasound and sodium lauryl sulfate.

PubMed

Kushner, Joseph; Blankschtein, Daniel; Langer, Robert

2008-02-01

The porosity (epsilon), the tortuosity (tau), and the hindrance factor (H) of the aqueous pore channels located in the localized transport regions (LTRs) and the non-LTRs formed in skin treated simultaneously with low-frequency ultrasound (US) and the surfactant sodium lauryl sulfate (SLS), were evaluated for the delivery of four hydrophilic permeants (urea, mannitol, raffinose, and inulin) by analyzing dual-radiolabeled diffusion masking experiments for three different idealized cases of the aqueous pore pathway hypothesis. When epsilon and tau were assumed to be independent of the permeant radius, H was found to be statistically larger in the LTRs than in the non-LTRs. When a distribution of pore radii was assumed to exist in the skin, no statistical differences in epsilon, tau, and H were observed due to the large variation in the pore radii distribution shape parameter (3 A to infinity). When infinitely large aqueous pores were assumed to exist in the skin, epsilon was found to be 3-8-fold greater in the LTRs than in the non-LTRs, while little difference was observed in the LTRs and in the non-LTRs for tau. This last result suggests that the efficacy of US/SLS treatment may be enhanced by increasing the porosity of the non-LTRs.

The Effects of Void Geometry and Contact Angle on the Absorption of Liquids into Porous Calcium Carbonate Structures.

PubMed

Ridgway, Cathy J.; Schoelkopf, Joachim; Matthews, G. Peter; Gane, Patrick A. C.; James, Philip W.

2001-07-15

The absorption (permeation) of alcohols into porous blocks of calcium carbonate has been studied experimentally and with a computer model. The experimental measurement was of change in apparent weight of a block with time after contact with liquid. The modeling used the previously developed 'Pore-Cor' model, based on unit cells of 1000 cubic pores connected by cylindrical throats. To gain some insight into absorption into voids of complex geometry, and to provide a representation of heterogeneities in surface interaction energy, the cylindrical throats were converted to double cones. Relative to cylinders, such geometries caused hold-ups of the percolation of nonwetting fluids with respect to increasing applied pressure, and a change in the rate of absorption of wetting fluids. Both the measured absorption of the alcohols and the simulated absorption of the alcohols and of water showed significant deviations from that predicted by an effective hydraulic radius approximation. The simulation demonstrated the development of a highly heterogeneous wetting front, and of preferred wetting pathways that were perturbed by inertial retardation. The findings are useful in the design of high-performance, low-waste pigments for paper coatings, and environmentally friendly printing inks, as well as in wider industrial, environmental, and geological contexts. Copyright 2001 Academic Press.

A case for bone canaliculi as the anatomical site of strain generated potentials

NASA Technical Reports Server (NTRS)

Cowin, S. C.; Weinbaum, S.; Zeng, Y.

1995-01-01

We address the question of determining the anatomical site that is the source of the experimentally observed strain generated potentials (SGPs) in bone tissue. There are two candidates for the anatomical site that is the SGP source, the collagen-hydroxyapatite porosity and the larger size lacunar-canalicular porosity. In the past it has been argued, on the basis of experimental data and a reasonable model, that the site of the SGPs in bone is the collagen-hydroxyapatite porosity. The theoretically predicted pore radius necessary for the SGPs to reside in this porosity is 16 nm, which is somewhat larger than the pore radii estimated from gas adsorption data where the preponderance of the pores were estimated to be in the range 5-12.5 nm. However, this pore size is significantly larger than the 2 nm size of the small tracer, microperoxidase, which appears to be excluded from the mineralized matrix. In this work a similar model, but one in which the effects of fluid dynamic drag of the cell surface matrix in the bone canaliculi are included, is used to show that it is possible for the generation of SGPs to be associated with the larger size lacunar-canalicular porosity when the hydraulic drag and electrokinetic contribution of the bone fluid passage through the cell coat (glycocalyx) is considered. The consistency of the SGP data with this model is demonstrated. A general boundary condition is introduced to allow for current leakage at the bone surface. The results suggest that the current leakage is small for the in vitro studies in which the strain generated potentials have been measured.

Transmembrane helical interactions in the CFTR channel pore.

PubMed

Das, Jhuma; Aleksandrov, Andrei A; Cui, Liying; He, Lihua; Riordan, John R; Dokholyan, Nikolay V

2017-06-01

Mutations in the Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) gene affect CFTR protein biogenesis or its function as a chloride channel, resulting in dysregulation of epithelial fluid transport in the lung, pancreas and other organs in cystic fibrosis (CF). Development of pharmaceutical strategies to treat CF requires understanding of the mechanisms underlying channel function. However, incomplete 3D structural information on the unique ABC ion channel, CFTR, hinders elucidation of its functional mechanism and correction of cystic fibrosis causing mutants. Several CFTR homology models have been developed using bacterial ABC transporters as templates but these have low sequence similarity to CFTR and are not ion channels. Here, we refine an earlier model in an outward (OWF) and develop an inward (IWF) facing model employing an integrated experimental-molecular dynamics simulation (200 ns) approach. Our IWF structure agrees well with a recently solved cryo-EM structure of a CFTR IWF state. We utilize cysteine cross-linking to verify positions and orientations of residues within trans-membrane helices (TMHs) of the OWF conformation and to reconstruct a physiologically relevant pore structure. Comparison of pore profiles of the two conformations reveal a radius sufficient to permit passage of hydrated Cl- ions in the OWF but not the IWF model. To identify structural determinants that distinguish the two conformations and possible rearrangements of TMHs within them responsible for channel gating, we perform cross-linking by bifunctional reagents of multiple predicted pairs of cysteines in TMH 6 and 12 and 6 and 9. To determine whether the effects of cross-linking on gating observed are the result of switching of the channel from open to close state, we also treat the same residue pairs with monofunctional reagents in separate experiments. Both types of reagents prevent ion currents indicating that pore blockage is primarily responsible.

Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy.

PubMed

Lee, Hwankyu; Venable, Richard M; Mackerell, Alexander D; Pastor, Richard W

2008-08-01

A revision (C35r) to the CHARMM ether force field is shown to reproduce experimentally observed conformational populations of dimethoxyethane. Molecular dynamics simulations of 9, 18, 27, and 36-mers of polyethylene oxide (PEO) and 27-mers of polyethylene glycol (PEG) in water based on C35r yield a persistence length lambda = 3.7 A, in quantitative agreement with experimentally obtained values of 3.7 A for PEO and 3.8 A for PEG; agreement with experimental values for hydrodynamic radii of comparably sized PEG is also excellent. The exponent upsilon relating the radius of gyration and molecular weight (R(g) proportional, variantM(w)(upsilon)) of PEO from the simulations equals 0.515 +/- 0.023, consistent with experimental observations that low molecular weight PEG behaves as an ideal chain. The shape anisotropy of hydrated PEO is 2.59:1.44:1.00. The dimension of the middle length for each of the polymers nearly equals the hydrodynamic radius R(h)obtained from diffusion measurements in solution. This explains the correspondence of R(h) and R(p), the pore radius of membrane channels: a polymer such as PEG diffuses with its long axis parallel to the membrane channel, and passes through the channel without substantial distortion.

Transient oscillation of shape and membrane conductivity changes by field pulse-induced electroporation in nano-sized phospholipid vesicles.

PubMed

Dimitrov, Vasil; Kakorin, Sergej; Neumann, Eberhard

2013-05-07

The results of electrooptical and conductometrical measurements on unilamellar lipid vesicles (of mean radius a = 90 nm), filled with 0.2 M NaCl solution, suspended in 0.33 M sucrose solution of 0.2 mM NaCl, and exposed to a stepwise decaying electric field (time constant τE = 154 μs) in the range 10 ≤ E0 (kV cm(-1)) ≤ 90, are analyzed in terms of cyclic changes in vesicle shape and vesicle membrane conductivity. The two peaks in the dichroitic turbidity relaxations reflect two cycles of rapid membrane electroporation and slower resealing of long-lived electropores. The field-induced changes reflect structural transitions between closed (C) and porated (P) membrane states, qualified by pores of type P1 and of type P2, respectively. The transient change in the membrane conductivity and the transient shape oscillation are based on changes in the pore density of the (larger) P2-pores along a hysteresis cycle. The P2-pore formation leads to transient net ion flows across the P2-pores and to transient changes in the membrane field. The kinetic data are numerically processed in terms of coupled structural relaxation modes. Using the torus-hole pore model, the mean inner pore radii are estimated to be r1 = 0.38 (±0.05) nm and r2 = 1.7 (±0.1) nm, respectively. The observation of a transient oscillation of membrane electroporation and of shape changes in a longer lasting external field pulse is suggestive of potential resonance enhancement, for instance, of electro-uptake by, and of electro-release of biogenic molecules from, biological cells in trains of long-lasting low-intensity voltage pulses.

Tomographic Image of a Seismically Active Volcano: Mammoth Mountain, California

NASA Astrophysics Data System (ADS)

Dawson, P. B.; Chouet, B. A.; Pitt, A. M.

2015-12-01

High-resolution tomographic P wave, S wave, and VP /VS velocity structure models are derived for Mammoth Mountain, California using phase data from the Northern California Seismic Network and a temporary deployment of broadband seismometers. An anomalous volume (˜50 km3) of low P and low S wave velocities is imaged beneath Mammoth Mountain, extending from near the surface to a depth of ˜2 km below sea level. We infer that the reduction in seismic wave velocities is primarily due to the presence of CO2 distributed in oblate-spheroid pores with mean aspect ratio α ˜8 x 10-4 (crack-like pores) and gas volume fraction φ ˜4 x 10-4. The pore density parameter κ = 3φ / (4πα) = na3 = 0.12, where n is the number of pores per cubic meter and a is the mean pore equatorial radius. The total mass of CO2 is estimated to range up to ˜1.6 x 1010 kg if the pores exclusively contain CO2, although he presence of an aqueous phase may lower this estimate by up to one order of magnitude. The local geological structure indicates that the CO2 contained in the pores is delivered to the surface through fractures controlled by faults and remnant foliation of the bedrock beneath Mammoth Mountain. The total volume of CO2 contained in the reservoir suggests that given an emission rate of 5 x 105 kg day-1, the reservoir could supply the emission of CO2 for ˜8 to ˜90 years before depletion. Continued supply of CO2 from an underlying magmatic system would significantly prolong the existence of the reservoir.

Passive water flows driven across the isolated rabbit ileum by osmotic, hydrostatic and electrical gradients.

PubMed Central

Naftalin, R J; Tripathi, S

1985-01-01

Water flows generated by osmotic and hydrostatic pressure and electrical currents were measured in sheets of isolated rabbit ileum at 20 degrees C. Flows across the mucosal and serosal surfaces were monitored continuously by simultaneous measurement of tissue volume change (with an optical lever) and net water flows across one surface of the tissue (with a capacitance transducer). Osmotic gradients were imposed across the mucosal and serosal surfaces of the tissue separately, using probe molecules of various sizes from ethanediol (68 Da) to dextrans (161 000 Da). Flows across each surface were elicited with very short delay. The magnitudes of the flows were proportional to the osmotic gradient and related to the size of the probe molecule. Osmotic flow across the mucosal surface was associated with streaming potentials which were due to electro-osmotic water flow. The mucosal surface is a heteroporous barrier with narrow (0.7 nm radius, Lp (hydraulic conductivity) = (7.6 +/- 1.6) X 10(-9) cm s-1 cmH2O-1) cation-selective channels in parallel with wide neutral pores (ca. 6.5 nm radius, Lp = (2.3 +/- 0.2) X 10(-7) cm s-1 cmH2O-1) which admit large pressure-driven backflows from the submucosa to the lumen. There is additional evidence for a further set of narrow electroneutral pores less than 0.4 nm radius with Lp less than 7 X 10(-9) cm s-1 cmH2O-1. The serosal surface has neutral pores of uniform radius (ca. 6.5 nm), Lp = (7.6 +/- 1.6) X 10(-8) cm s-1 cmH2O-1. Hypertonic serosal solutions (100 mM-sucrose) cause osmotic transfer of fluid from isotonic mucosal solutions into the submucosa, expand it, and elevate the tissue pressure to 19.6 +/- 3.2 cmH2O (n = 4). Conversely, hypertonic mucosal solutions (100 mM-sucrose) draw fluid out of the submucosa in the presence of isotonic serosal solutions, collapse the submucosa, and lower the tissue pressure to -87.7 +/- 4.6 cmH2O (n = 5). Water flows coupled to cation movement could be generated across the mucosal surface in both directions by brief direct current pulses. The short latency of onset and cessation of flow (less than 2 s), absence of polarization potentials, and high electro-osmotic coefficients (range 50-520 mol water F-1), together with the presence of streaming potentials during osmotically generated water flows indicate electro-osmotic water flow through hydrated channels in the tight junctions and/or lateral intercellular spaces.(ABSTRACT TRUNCATED AT 400 WORDS) PMID:3989717

Effects of ultrasound and sodium lauryl sulfate on the transdermal delivery of hydrophilic permeants: Comparative in vitro studies with full-thickness and split-thickness pig and human skin

PubMed Central

Seto, Jennifer E.; Polat, Baris E.; Lopez, Renata F.V.; Blankschtein, Daniel; Langer, Robert

2010-01-01

The simultaneous application of ultrasound and the surfactant sodium lauryl sulfate (referred to as US/SLS) to skin enhances transdermal drug delivery (TDD) in a synergistic mechanical and chemical manner. Since full-thickness skin (FTS) and split-thickness skin (STS) differ in mechanical strength, US/SLS treatment may have different effects on their transdermal transport pathways. Therefore, we evaluated STS as an alternative to the well-established US/SLS-treated FTS model for TDD studies of hydrophilic permeants. We utilized the aqueous porous pathway model to compare the effects of US/SLS treatment on the skin permeability and the pore radius of pig and human FTS and STS over a range of skin electrical resistivity values. Our findings indicate that the US/SLS-treated pig skin models exhibit similar permeabilities and pore radii, but the human skin models do not. Furthermore, the US/SLS-enhanced delivery of gold nanoparticles and quantum dots (two model hydrophilic macromolecules) is greater through pig STS than through pig FTS, due to the presence of less dermis that acts as an artificial barrier to macromolecules. In spite of greater variability in correlations between STS permeability and resistivity, our findings strongly suggest the use of 700-μm-thick pig STS to investigate the in vitro US/SLS-enhanced delivery of hydrophilic macromolecules. PMID:20346994

A limited 4 Å radial displacement of the S4-S5 linker is sufficient for internal gate closing in Kv channels.

PubMed

Faure, Élise; Starek, Greg; McGuire, Hugo; Bernèche, Simon; Blunck, Rikard

2012-11-16

Voltage-gated ion channels are responsible for the generation of action potentials in our nervous system. Conformational rearrangements in their voltage sensor domains in response to changes of the membrane potential control pore opening and thus ion conduction. Crystal structures of the open channel in combination with a wealth of biophysical data and molecular dynamics simulations led to a consensus on the voltage sensor movement. However, the coupling between voltage sensor movement and pore opening, the electromechanical coupling, occurs at the cytosolic face of the channel, from where no structural information is available yet. In particular, the question how far the cytosolic pore gate has to close to prevent ion conduction remains controversial. In cells, spectroscopic methods are hindered because labeling of internal sites remains difficult, whereas liposomes or detergent solutions containing purified ion channels lack voltage control. Here, to overcome these problems, we controlled the state of the channel by varying the lipid environment. This way, we directly measured the position of the S4-S5 linker in both the open and the closed state of a prokaryotic Kv channel (KvAP) in a lipid environment using Lanthanide-based resonance energy transfer. We were able to reconstruct the movement of the covalent link between the voltage sensor and the pore domain and used this information as restraints for molecular dynamics simulations of the closed state structure. We found that a small decrease of the pore radius of about 3-4 Å is sufficient to prevent ion permeation through the pore.

Assessing agricultural management effects on structure related soil hydraulic properties by tension infiltrometry

NASA Astrophysics Data System (ADS)

Bodner, G.; Loiskandl, W.; Kaul, H.-P.

2009-04-01

Soil structure is a dynamic property subject to numerous natural and human influences. It is recognized as fundamental for sustainable functioning of soil. Therefore knowledge of management impacts on the sensitive structural states of soil is decisive in order to avoid soil degradation. The stabilization of the soil's (macro)pore system and eventually the improvement of its infiltrability are essential to avoid runoff and soil erosion, particularly in view of an increasing probability of intense rainfall events. However structure-related soil properties generally have a high natural spatiotemporal variability that interacts with the potential influence of agricultural land use. This complicates a clear determination of management vs. environmental effects and requires adequate measurement methods, allowing a sufficient spatiotemporal resolution to estimate the impact of the targeted management factors within the natural dynamics of soil structure. A common method to assess structure-related soil hydraulic properties is tension infiltrometry. A major advantage of tension infiltrometer measurements is that no or only minimum soil disturbance is necessary and several structure-controlled water transmission properties can readily be derived. The method is more time- and cost-efficient compared to laboratory measurements of soil hydraulic properties, thus enabling more replications. Furthermore in situ measurements of hydraulic properties generally allow a more accurate reproduction of field soil water dynamics. The present study analyses the impact of two common agricultural management options on structure related hydraulic properties based on tension infiltrometer measurements. Its focus is the identification of the role of management within the natural spatiotemporal variability, particularly in respect to seasonal temporal dynamics. Two management approaches are analysed, (i) cover cropping as a "plant-based" agro-environmental measure, and (ii) tillage with different intensities including conventional tillage with a mouldboard plough, reduced tillage with a chisel plough and no-tillage. The results showed that the plant-based management measure of cover cropping had only minor influence on near-saturated hydraulic conductivity (kh) and flow weighted mean pore radius (λm). Substantial over-winter changes were found with a significant increase in kh and a reduction in the pore radius. A spatial trend in soil texture along the cover cropped slope resulted in a higher kh at lower pressure heads at the summit with higher fractions of coarse particles, while kh tended to be highest at the toeslope towards saturation. Cover crop management accounted for a maximum of 9.7% of the total variability in kh, with a decreasing impact towards the unsaturated range. A substantial difference to bare soil in the cover cropped treatments could be identified in relation to a stabilization of macro-pores over winter. The different tillage treatments had a substantial impact on near-saturated kh and pore radius. Although conventional tillage showed the highest values in kh and λm, settling of the soil after the ploughing event tended to reduce differences over time compared to the other tillage methods. The long-term no-tillage (10 years) however had the lowest values of kh at all measurement dates. The high contents of silt and fine sand probably resulted in soil densification that was not counterbalanced sufficiently by biological structure forming agents. The study could show that soil structure related hydraulic properties are subject to a substantial seasonal variability. A comprehensive assessment of agricultural measures such as tillage or cover cropping requires an estimate of these temporal dynamics and their interaction with the management strategies. Particularly for plant-based management measures such as cover cropping, which represent a less intense intervention in the structural states of the soil compared to tillage, this was evident, as the main mechanism revealed for this measure was structure stabilization over time. While spatial variability is mostly controlled in designed experiments, the role of temporal variability is often underestimated. From our study we concluded that (i) a proper understanding of processes involved in management effects on soil structure must take into consideration the dynamic nature of the respective soil properties, (ii) experimental planning for studies regarding management impacts on soil structure should allow an estimation of temporal variability, and (iii) for this purpose tension infiltrometry provides an efficient measurement tool to assess structure related soil hydraulic properties.

Harvesting liquid from unsaturated vapor - nanoflows induced by capillary condensation

NASA Astrophysics Data System (ADS)

Vincent, Olivier; Marguet, Bastien; Stroock, Abraham

2016-11-01

A vapor, even subsaturated, can spontaneously form liquid in nanoscale spaces. This process, known as capillary condensation, plays a fundamental role in various contexts, such as the formation of clouds or the dynamics of hydrocarbons in the geological subsurface. However, large uncertainties remain on the thermodynamics and fluid mechanics of the phenomenon, due to experimental challenges as well as outstanding questions about the validity of macroscale physics at the nanometer scale. We studied experimentally the spatio-temporal dynamics of water condensation in a model nanoporous medium (pore radius 2 nm), taking advantage of the color change of the material upon hydration. We found that at low relative humidities (< 60 % RH), capillary condensation progressed in a diffusive fashion, while it occurred through a well-defined capillary-viscous imbibition front at > 60 % RH, driven by a balance between the pore capillary pressure and the condensation stress given by Kelvin equation. Further analyzing the imbibition dynamics as a function of saturation allowed us to extract detailed information about the physics of nano-confined fluids. Our results suggest excellent extension of macroscale fluid dynamics and thermodynamics even in pores 10 molecules in diameter.

A novel approach to model hydraulic and electrical conductivity in fractal porous media

NASA Astrophysics Data System (ADS)

Ghanbarian, B.; Daigle, H.; Sahimi, M.

2014-12-01

Accurate prediction of conductivity in partially-saturated porous media has broad applications in various phenomena in porous media, and has been studied intensively since the 1940s by petroleum, chemical and civil engineers, and hydrologists. Many of the models developed in the past are based on the bundle of capillary tubes. In addition, pore network models have also been developed for simulating multiphase fluid flow in porous media and computing the conductivity in unsaturated porous media. In this study, we propose a novel approach using concepts from the effective-medium approximation (EMA) and percolation theory to model hydraulic and electrical conductivity in fractal porous media whose pore-size distributions exhibit power-law scaling. In our approach, the EMA, originally developed for predicting electrical conductivity of composite materials, is used to predict the effective conductivity, from complete saturation to some intermediate water content that represents a crossover point. Below the crossover water content, but still above a critical saturation (percolation threshold), a universal scaling predicted by percolation theory, a power law that expresses the dependence of the conductivity on the water content (less a critical water saturation) with an exponent of 2, is invoked to describe the effective conductivity. In order to evaluate the accuracy of the approach, experimental data were used from the literature. The predicted hydraulic conductivities for most cases are in excellent agreement with the data. In a few cases the theory underestimates the hydraulic conductivities, which correspond to porous media with very broad pore-size distribution in which the largest pore radius is more than 7 orders of magnitude greater than the smallest one. The approach is also used to predict the saturation dependence of the electrical conductivity for experiments in which capillary pressure data are available. The results indicate that the universal scaling of the electrical conductivity is valid from the percolation threshold all the way up to the complete saturation point. Our results confirm those reported previously by Ewing and Hunt (2006) who argued that the electrical conductivity should follow universal scaling over the entire range of saturation.

Characterization of dextran-grafted hydrophobic charge-induction resins: Structural properties, protein adsorption and transport.

PubMed

Liu, Tao; Angelo, James M; Lin, Dong-Qiang; Lenhoff, Abraham M; Yao, Shan-Jing

2017-09-29

The structural and functional properties of a series of dextran-grafted and non-grafted hydrophobic charge-induction chromatographic (HCIC) agarose resins were characterized by macroscopic and microscopic techniques. The effects of dextran grafting and mobile phase conditions on the pore dimensions of the resins were investigated with inverse size exclusion chromatography (ISEC). A significantly lower pore radius (17.6nm) was found for dextran-grafted than non-grafted resins (29.5nm), but increased salt concentration would narrow the gap between the respective pore radii. Two proteins, human immunoglobulin G (hIgG) and bovine serum albumin (BSA), were used to examine the effect of protein characteristics. The results of adsorption isotherms showed that the dextran-grafted resin with high ligand density had substantially higher adsorption capacity and enhanced the salt-tolerance property for hIgG, but displayed a significantly smaller benefit for BSA adsorption. Confocal laser scanning microscopy (CLSM) showed that hIgG presented more diffuse and slower moving adsorption front compared to BSA during uptake into the resins because of the selective binding of multiple species from polyclonal IgG; polymer-grafting with high ligand density could enhance the rate of hIgG transport in the dextran-grafted resins without salt addition, but not for the case with high salt and BSA. The results indicate that microscopic analysis using ISEC and CLSM is useful to improve the mechanistic understanding of resin structure and of critical functional parameters involving protein adsorption and transport, which would guide the rational design of new resins and processes. Copyright © 2017. Published by Elsevier B.V.

Orientational fluctuations and phase transitions in 8CB confined by cylindrical pores of the PET film

NASA Astrophysics Data System (ADS)

Maksimochkin, G. I.; Shmeliova, D. V.; Pasechnik, S. V.; Dubtsov, A. V.; Semina, O. A.; Kralj, S.

2016-08-01

Results of optical investigations of the isotropic-nematic and nematic-smectic A phase transitions in porous polyethyleneterephthalate (PET) films filled with octyl-cyanobihenyl (8CB) liquid crystal (LC) are reported. Samples of porous films of thickness 23 µm with normally oriented cylindrical pores of a radius R ranging from 10 nm to 1000 nm were prepared using the track-etched membrane technology. The dynamic light scattering method was used to probe the nematic orientational fluctuations of confined LC samples. The corresponding relaxation time τ was measured as a function of R and temperature T at slow enough cooling rates (0.3-0.6 K/h) to locate the phase transition temperatures. Changes in τ(T) dependencies relatively sensitivity fingerprint the LC phase transformations. Experimental results are analysed using the Landau-de Gennes-Ginzburg phenomenological approach.

Alterations of bone density, microstructure, and strength of the distal radius in male patients with rheumatoid arthritis: a case-control study with HR-pQCT.

PubMed

Zhu, Tracy Y; Griffith, James F; Qin, Ling; Hung, Vivian W; Fong, Tsz-Ning; Au, Sze-Ki; Li, Martin; Lam, Yvonne Yi-On; Wong, Chun-Kwok; Kwok, Anthony W; Leung, Ping-Chung; Li, Edmund K; Tam, Lai-Shan

2014-09-01

In this cross-sectional study, we investigated volumetric bone mineral density (vBMD), bone microstructure, and biomechanical competence of the distal radius in male patients with rheumatoid arthritis (RA). The study cohort comprised 50 male RA patients of average age of 61.1 years and 50 age-matched healthy males. Areal BMD (aBMD) of the hip, lumbar spine, and distal radius was measured by dual-energy X-ray absorptiometry. High-resolution peripheral quantitative computed tomography (HR-pQCT) of the distal radius provided measures of cortical and trabecular vBMD, microstructure, and biomechanical indices. aBMD of the hip but not the lumbar spine or ultradistal radius was significantly lower in RA patients than controls after adjustment for body weight. Total, cortical, and trabecular vBMD at the distal radius were, on average, -3.9% to -23.2% significantly lower in RA patients, and these differences were not affected by adjustment for body weight, testosterone level, or aBMD at the ultradistal radius. Trabecular microstructure indices were, on average, -8.1% (trabecular number) to 28.7% (trabecular network inhomogeneity) significantly inferior, whereas cortical pore volume and cortical porosity index were, on average, 80.3% and 63.9%, respectively, significantly higher in RA patients. RA patients also had significantly lower whole-bone stiffness, modulus, and failure load, with lower and more unevenly distributed cortical and trabecular stress. Density and microstructure indices significantly correlated with disease activity, severity, and levels of pro-inflammatory cytokines (interleukin [IL] 12p70, tumor necrosis factor, IL-6 and IL-1β). Ten RA patients had focal periosteal bone apposition most prominent at the ulnovolar aspect of the distal radius. These patients had shorter disease duration and significantly higher cortical porosity. In conclusion, HR-pQCT reveals significant alterations of bone density, microstructure, and strength of the distal radius in male RA patients and provides new insight into the microstructural basis of bone fragility accompanying chronic inflammation. © 2014 American Society for Bone and Mineral Research.

Near-membrane electric field calcium ion dehydration.

PubMed

Barger, James P; Dillon, Patrick F

2016-12-01

The dehydration of ion-water complexes prior to ion channel transit has focused on channel protein-mediated dissociation of water. Ion dehydration by the membrane electric field has not previously been considered. Near membrane electric fields have previously been shown to cause the disassociation of non-covalently bound small molecule-small molecule, small molecule-protein, and protein-protein complexes. It is well known that cosmotropic, structure making ions such as calcium and sodium significantly bind multiple water ions in solution. It is also known that these ions are often not hydrated as they pass through membrane ion channels. Using capillary electrophoresis, the range of electric fields needed to strip water molecules from calcium ions has been measured. Ion migration velocity is a linear function of the electric field. At low electric fields, the migration rate of calcium ion was shown to be linearly related to the applied electric field. Using a form of the Stoke's equation applicable to ion migration, the hydrated calcium radius was found to be 0.334nm, corresponding to a water hydration shell of 5.09 water molecules. At higher electric fields, the slope of the calcium migration velocity as a function of the electric field increased, which was modeled as a decrease in the radius of the migrating ion as the water was removed. Using a tanh function to model the transition of the ion from a hydrated to a stripped state, the transition had a midpoint at 446V/cm, and was 88% complete at 587V/cm with a correlation coefficient of 0.9996. The migration velocity of the stripped calcium ion was found to be a function of both the decrease in radius and an increase in the effective, electronic viscosity of the dipole medium through which the dehydrated ion moved. The size of the electric field needed to dehydrate calcium occurs 6-7nm from the cell membrane. Calcium ions within this distance from the membrane will be devoid of water molecules when they reach the calcium selective channel pore entrances, all known to be approximately 1-2nm from the membrane. No matter what the calcium pore structure, calcium ions reaching the channel entrance will be devoid of a water shell. Copyright © 2016 Elsevier Ltd. All rights reserved.

Strain-dependent partial slip on rock fractures under seismic-frequency torsion

NASA Astrophysics Data System (ADS)

Saltiel, Seth; Bonner, Brian P.; Ajo-Franklin, Jonathan B.

2017-05-01

Measurements of nonlinear modulus and attenuation of fractures provide the opportunity to probe their mechanical state. We have adapted a low-frequency torsional apparatus to explore the seismic signature of fractures under low normal stress, simulating low effective stress environments such as shallow or high pore pressure reservoirs. We report strain-dependent modulus and attenuation for fractured samples of Duperow dolomite (a carbon sequestration target reservoir in Montana), Blue Canyon Dome rhyolite (a geothermal analog reservoir in New Mexico), and Montello granite (a deep basement disposal analog from Wisconsin). We use a simple single effective asperity partial slip model to fit our measured stress-strain curves and solve for the friction coefficient, contact radius, and full slip condition. These observations have the potential to develop into new field techniques for measuring differences in frictional properties during reservoir engineering manipulations and estimate the stress conditions where reservoir fractures and faults begin to fully slip.

Preservation of Groundwater on Mars Depends on Preservation of an Icy Cryosphere.

NASA Astrophysics Data System (ADS)

Grimm, R. E.; Kirchoff, M. R.; Stillman, D. E.

2017-12-01

We seek to understand the constraints and controls on the existence of groundwater on Mars today. Tropical ground ice undergoes long-term sublimation and likely exospheric escape. Using multi-reservoir models for the evolution of D/H ratios, we derive a median estimate of the Hesperian-Amazonian H2O loss of 60 m (interquartile range 30-120 m) Global Equivalent Layer (GEL). These figures are substantially smaller than volumes inferred for geological work and for the holding capacity of the upper crust. This suggests that Mars still has substantial subsurface H2O, but it is unknown whether ground water lies beneath ground ice. Without restriction of sublimation, the cryosphere will eventually breach, leading to massive evaporative loss of any underlying groundwater. Using a multiphase H2O transport model, we find that sublimation is retarded (in order of decreasing priority) by higher obliquity, smaller porosity, higher tortuosity, lower heat flow, and smaller pore radius. Our published results suggested low bulk porosity ( 5%) was necessary to limit sublimation to 60 m GEL, but we now recognize that the dependence of effective tortuosity and pore radius on ice saturation can sharply retard loss due to cold trapping, and thus allow nominal ( 30%) porosities. Separately, we find that single-layer ejecta (SLE) craters—long thought to tap subsurface ice—have formed throughout the Amazonian, without any evidence for a declining rate. This suggests that tropical ground ice has remained at relatively shallow depths, at least where these craters are forming. However, there is a striking spatial mixing in highlands near the equator of layered and normal, radial-ejecta craters. This implies strong spatial heterogeneity in the distribution of tropical ground ice. If the cryospheric ice seal is incomplete due to laterally heterogeneous sublimation of ice, then escape of water vapor through the gaps can lead to nearly total loss of groundwater by evaporation. The D/H-inferred loss indicates either that this has been mitigated, for example if aquifers are laterally compartmented similarly to the overlying cryosphere, or that the global water inventory has always been much smaller than the available pore volume since the early Hesperian. Geophysical sounding is necessary to assess the existence of aquifers on Mars today.

Disruption of Inhibitory Function in the Ts65Dn Mouse Hippocampus Through Overexpression of GIRK2

DTIC Science & Technology

2007-10-24

are prominent (Galdzicki and Siarey, 2003). We found that GIRK2 mRNA and protein subunits are highly overexpressed in multiple CNS structures ... STRUCTURE GIRK channels are members of the large family of potassium inward rectifiers (Kir). The seven subfamilies of Kir channels (Kir1-7) differ as...This ability to discriminate against the smaller Na+ (atomic radius: 0.95 Å) was elucidated by examining the pore structure of the bacterial KcsA

Tomographic image of a seismically active volcano: Mammoth Mountain, California

USGS Publications Warehouse

Dawson, Phillip B.; Chouet, Bernard A.; Pitt, Andrew M.

2016-01-01

High-resolution tomographic P wave, S wave, and VP/VS velocity structure models are derived for Mammoth Mountain, California, using phase data from the Northern California Seismic Network and a temporary deployment of broadband seismometers. An anomalous volume (5.1 × 109 to 5.9 × 1010m3) of low P and low S wave velocities is imaged beneath Mammoth Mountain, extending from near the surface to a depth of ∼2 km below sea level. We infer that the reduction in seismic wave velocities is due to the presence of CO2 distributed in oblate spheroid pores with mean aspect ratio α = 1.6 × 10−3 to 7.9 × 10−3 (crack-like pores) and mean gas volume fraction ϕ = 8.1 × 10−4 to 3.4 × 10−3. The pore density parameter κ = 3ϕ/(4πα) = na3=0.11, where n is the number of pores per cubic meter and a is the mean pore equatorial radius. The total mass of CO2 is estimated to be 4.6 × 109 to 1.9 × 1011 kg. The local geological structure indicates that the CO2 contained in the pores is delivered to the surface through fractures controlled by faults and remnant foliation of the bedrock beneath Mammoth Mountain. The total volume of CO2 contained in the reservoir suggests that given an emission rate of 500 tons day−1, the reservoir could supply the emission of CO2 for ∼25–1040 years before depletion. Continued supply of CO2 from an underlying magmatic system would significantly prolong the existence of the reservoir.

Tomographic image of a seismically active volcano: Mammoth Mountain, California

NASA Astrophysics Data System (ADS)

Dawson, Phillip; Chouet, Bernard; Pitt, Andrew

2016-01-01

High-resolution tomographic P wave, S wave, and VP/VS velocity structure models are derived for Mammoth Mountain, California, using phase data from the Northern California Seismic Network and a temporary deployment of broadband seismometers. An anomalous volume (5.1 × 109 to 5.9 × 1010m3) of low P and low S wave velocities is imaged beneath Mammoth Mountain, extending from near the surface to a depth of ˜2 km below sea level. We infer that the reduction in seismic wave velocities is due to the presence of CO2 distributed in oblate spheroid pores with mean aspect ratio α = 1.6 × 10-3 to 7.9 × 10-3 (crack-like pores) and mean gas volume fraction ϕ = 8.1 × 10-4 to 3.4 × 10-3. The pore density parameter κ = 3ϕ/(4πα) = na3=0.11, where n is the number of pores per cubic meter and a is the mean pore equatorial radius. The total mass of CO2 is estimated to be 4.6 × 109 to 1.9 × 1011 kg. The local geological structure indicates that the CO2 contained in the pores is delivered to the surface through fractures controlled by faults and remnant foliation of the bedrock beneath Mammoth Mountain. The total volume of CO2 contained in the reservoir suggests that given an emission rate of 500 tons day-1, the reservoir could supply the emission of CO2 for ˜25-1040 years before depletion. Continued supply of CO2 from an underlying magmatic system would significantly prolong the existence of the reservoir.

Effects of ultrasound and sodium lauryl sulfate on the transdermal delivery of hydrophilic permeants: Comparative in vitro studies with full-thickness and split-thickness pig and human skin.

PubMed

Seto, Jennifer E; Polat, Baris E; Lopez, Renata F V; Blankschtein, Daniel; Langer, Robert

2010-07-01

The simultaneous application of ultrasound and the surfactant sodium lauryl sulfate (referred to as US/SLS) to skin enhances transdermal drug delivery (TDD) in a synergistic mechanical and chemical manner. Since full-thickness skin (FTS) and split-thickness skin (STS) differ in mechanical strength, US/SLS treatment may have different effects on their transdermal transport pathways. Therefore, we evaluated STS as an alternative to the well-established US/SLS-treated FTS model for TDD studies of hydrophilic permeants. We utilized the aqueous porous pathway model to compare the effects of US/SLS treatment on the skin permeability and the pore radius of pig and human FTS and STS over a range of skin electrical resistivity values. Our findings indicate that the US/SLS-treated pig skin models exhibit similar permeabilities and pore radii, but the human skin models do not. Furthermore, the US/SLS-enhanced delivery of gold nanoparticles and quantum dots (two model hydrophilic macromolecules) is greater through pig STS than through pig FTS, due to the presence of less dermis that acts as an artificial barrier to macromolecules. In spite of greater variability in correlations between STS permeability and resistivity, our findings strongly suggest the use of 700microm-thick pig STS to investigate the in vitro US/SLS-enhanced delivery of hydrophilic macromolecules. 2010 Elsevier B.V. All rights reserved.

Variation and correlation of hydrologic properties

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

Wang, J.S.Y.

1991-06-01

Hydrological properties vary within a given geological formation and even more so among different soil and rock media. The variance of the saturated permeability is shown to be related to the variance of the pore-size distribution index of a given medium by a simple equation. This relationship is deduced by comparison of the data from Yucca Mountain, Nevada (Peters et al., 1984), Las Cruces, New Mexico (Wierenga et al., 1989), and Apache Leap, Arizona (Rasmussen et al., 1990). These and other studies in different soils and rocks also support the Poiseuille-Carmen relationship between the mean value of saturated permeability andmore » the mean value of capillary radius. Correlations of the mean values and variances between permeability and pore-geometry parameters can lead us to better quantification of heterogeneous flow fields and better understanding of the scaling laws of hydrological properties.« less

Impact of pore space topology on permeability, cut-off frequencies and validity of wave propagation theories

NASA Astrophysics Data System (ADS)

Sarout, Joël.

2012-04-01

For the first time, a comprehensive and quantitative analysis of the domains of validity of popular wave propagation theories for porous/cracked media is provided. The case of a simple, yet versatile rock microstructure is detailed. The microstructural parameters controlling the applicability of the scattering theories, the effective medium theories, the quasi-static (Gassmann limit) and dynamic (inertial) poroelasticity are analysed in terms of pores/cracks characteristic size, geometry and connectivity. To this end, a new permeability model is devised combining the hydraulic radius and percolation concepts. The predictions of this model are compared to published micromechanical models of permeability for the limiting cases of capillary tubes and penny-shaped cracks. It is also compared to published experimental data on natural rocks in these limiting cases. It explicitly accounts for pore space topology around the percolation threshold and far above it. Thanks to this permeability model, the scattering, squirt-flow and Biot cut-off frequencies are quantitatively compared. This comparison leads to an explicit mapping of the domains of validity of these wave propagation theories as a function of the rock's actual microstructure. How this mapping impacts seismic, geophysical and ultrasonic wave velocity data interpretation is discussed. The methodology demonstrated here and the outcomes of this analysis are meant to constitute a quantitative guide for the selection of the most suitable modelling strategy to be employed for prediction and/or interpretation of rocks elastic properties in laboratory-or field-scale applications when information regarding the rock's microstructure is available.

The fracture criticality of crustal rocks

NASA Astrophysics Data System (ADS)

Crampin, Stuart

1994-08-01

The shear-wave splitting observed along almost all shear-wave ray paths in the Earth's crust is interpreted as the effects of stress-aligned fluid-filled cracks, microcracks, and preferentially oriented pore space. Once away from the free surface, where open joints and fractures may lead to strong anisotropy of 10 per cent or greater, intact ostensibly unfractured crustal rock exhibits a limited range of shear-wave splitting from about 1.5 to 4.5 per cent differential shear-wave velocity anisotropy. Interpreting this velocity anisotropy as normalized crack densities, a factor of less than two in crack radius covers the range from the minimum 1.5 per cent anisotropy observed in intact rock to the 10 per cent observed in heavily cracked almost disaggregated near-surface rocks. This narrow range of crack dimensions and the pronounced effect on rock cohesion suggests that there is a state of fracture criticality at some level of anisotropy between 4.5 and 10 per cent marking the boundary between essentially intact, and heavily fractured rock. When the level of fracture criticality is exceeded, cracking is so severe that there is a breakdown in shear strength, the likelihood of progressive fracturing and the dispersal of pore fluids through enhanced permeability. The range of normalized crack dimensions below fracture criticality is so small in intact rock, that any modification to the crack geometry by even minor changes of conditions or minor deformation (particularly in the presence of high pore-fluid pressures) may change rock from being essentially intact (below fracture criticality) to heavily fractured (above fracture criticality). This recognition of the essential compliance of most crustal rocks, and its effect on shear-wave splitting, has implications for monitoring changes in any conditions affecting the rock mass. These include monitoring changes in reservoir evolution during hydrocarbon production and enhanced oil recovery, and in monitoring changes before and after earthquakes, amongst others.

Estimating dynamic permeability in fractal pore network saturated by Maxwellian fluid

NASA Astrophysics Data System (ADS)

Sun, W.

2017-12-01

The frequency dependent flow of fluid in porous media is an important issue in geophysical prospecting. Oscillating flow in pipe leads to frequency dependent dynamic permeability and has been studied in pore network containing Newtonian fluid. But there is little work on oscillating complex fluid in pipe network, especially in irregular network. Here we formulated frequency dependent permeability for Maxwellian fluid and estimated the permeability in three-dimensional fractal network model. We consider an infinitely long cylindrical pipe with rigid solid wall. The pipe is filled with Maxwellian fluids. Based on the mass conservation equation, the equilibrium equation of force and Maxwell constitutive relationship, we formulated the flux by integration of axial velocity component over the pipe's cross section. Then we extend single pipe formulation to a 3D irregular network. Flux balance condition yields a set of linear equations whose unknowns are the fluid pressure at each node. By evaluating the total flow flux through the network, the dynamic permeability can be calculated.We investigated the dynamic permeability of brine and CPyCl/NaSal in a 3D porous sample with a cubic side length 1 cm. The pore network is created by a Voronoi cell filling method. The porosity, i.e., volume ratio between pore/pipe network and the overall cubic, is set as 0.1. The irregular pore network has a fractal structure. The dimension d of the pore network is defined by the relation between node number M within a sphere and the radius r of the sphere,M=rd.The results show that both brine and Maxwellian fluid's permeability maintain a stable value at low frequency, then decreases with fluctuating peaks. The dynamic permeability in pore networks saturated by Maxwellian fluid (CPyCl/NaSal (60 mM)) show larger peaks during the decline process at high frequency, which represents the typical resonance behavior. Dynamic permeability shows clear dependence on the dimension of the fractal network. Small-scale network has higher dimension than large-scale networks. The reason is that in larger networks pore and inter-pore connections are so dense that the probability P(r) to have a neighboring pore at distance r decays faster. The proposed model may be used to explain velocity dispersion in unconventional reservoir rocks observed in laboratory.

Density profile of water confined in cylindrical pores in MCM-41 silica.

PubMed

Soper, Alan K

2012-02-15

Recently, water absorbed in the porous silica material MCM-41-S15 has been used to demonstrate an apparent fragile to strong dynamical crossover on cooling below ∼220 K, and also to claim that the density of confined water reaches a minimum at a temperature around 200 K. Both of these behaviours are purported to arise from the crossing of a Widom line above a conjectured liquid-liquid critical point in bulk water. Here it is shown that traditional estimates of the pore diameter in this porous silica material (of order 15 Å) are too small to allow the amount of water that is observed to be absorbed by these materials (around 0.5 g H(2)O/g substrate) to be absorbed only inside the pore. Either the additional water is absorbed on the surface of the silica particles and outside the pores, or else the pores are larger than the traditional estimates. In addition the low Q Bragg intensities from a sample of MCM-41-S15 porous silica under different dry and wet conditions and with different hydrogen isotopes are simulated using a simple model of the water and silica density profile across the pore. It is found the best agreement of these intensities with experimental data is shown by assuming the much larger pore diameter of 25 Å (radius 12.5 Å). Qualitative agreement is found between these simulated density profiles and those found in recent empirical potential structure refinement simulations of the same data, even though the latter data did not specifically include the Bragg peaks in the structure refinement. It is shown that the change in the (100) peak intensity on cooling from 300 to 210 K, which previously has been ascribed to a change in density of the confined water on cooling, can equally be ascribed to a change in density profile at constant average density. It is further pointed out that, independent of whether the pore diameter really is as large as 25 Å or whether a significant amount of water is absorbed outside the pore, the earlier reports of a dynamic crossover in supercooled confined water could in fact be a crystallization transition in the larger pore or surface water.

Molecular dynamics of alamethicin transmembrane channels from open-channel current noise analysis.

PubMed

Mak, D O; Webb, W W

1995-12-01

Conductance noise measurement of the open states of alamethicin transmembrane channels reveals excess noise attributable to cooperative low-frequency molecular dynamics that can generate fluctuations approximately 1 A rms in the effective channel pore radius. Single-channel currents through both persistent and nonpersistent channels with multiple conductance states formed by purified polypeptide alamethicin in artificial phospholipid bilayers isolated onto micropipettes with gigaohm seals were recorded using a voltage-clamp technique with low background noise (rms noise < 3 pA up to 20 kHz). Current noise power spectra between 100 Hz and 20 kHz of each open channel state showed little frequency dependence. Noise from undetected conductance state transitions was insignificant. Johnson and shot noises were evaluated. Current noise caused by electrolyte concentration fluctuation via diffusion was isolated by its dependence on buffer concentration. After removing these contributions, significant current noise remains in all persistent channel states and increases in higher conductance states. In nonpersistent channels, remaining noise occurs primarily in the lowest two states. These fluctuations of channel conductance are attributed to thermal oscillations of the channel molecular conformation and are modeled as a Langevin translational oscillation of alamethicin molecules moving radially from the channel pore, damped mostly by lipid bilayer viscosity.

Hydrogen Transport and Rationalization of Porosity Formation during Welding of Titanium Alloys

NASA Astrophysics Data System (ADS)

Huang, Jianglin; Warnken, Nils; Gebelin, Jean-Christophe; Strangwood, Martin; Reed, Roger C.

2012-02-01

The transport of hydrogen during fusion welding of the titanium alloy Ti-6Al4V is analyzed. A coupled thermodynamic/kinetic treatment is proposed for the mass transport within and around the weld pool. The modeling indicates that hydrogen accumulates in the weld pool as a consequence of the thermodynamic driving forces that arise; a region of hydrogen depletion exists in cooler, surrounding regions in the heat-affected zone and beyond. Coupling with a hydrogen diffusion-controlled bubble growth model is used to simulate bubble growth in the melt and, thus, to make predictions of the hydrogen concentration barrier needed for pore formation. The effects of surface tension of liquid metal and the radius of preexisting microbubble size on the barrier are discussed. The work provides insights into the mechanism of porosity formation in titanium alloys.

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

Kinetic Defects Induced by Melittin in Model Lipid Membranes: A Solution Atomic Force Microscopy Study.

PubMed

Pan, Jianjun; Khadka, Nawal K

2016-05-26

Quantitative characterization of membrane defects (pores) is important for elucidating the molecular basis of many membrane-active peptides. We study kinetic defects induced by melittin in vesicular and planar lipid bilayers. Fluorescence spectroscopy measurements indicate that melittin induces time-dependent calcein leakage. Solution atomic force microscopy (AFM) is used to visualize melittin-induced membrane defects. After initial equilibration, the most probable defect radius is ∼3.8 nm in 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC) bilayers. Unexpectedly, defects become larger with longer incubation, accompanied by substantial shape transformation. The initial defect radius is ∼4.7 nm in 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) bilayers. Addition of 30 mol % cholesterol to DOPC bilayers suppresses defect kinetics, although the inhibitory impact is negated by longer incubation. Overall, the kinetic rate of defect development follows DLPC > DOPC > DOPC/cholesterol. Kinetic defects are also observed when anionic lipids are present. Based on the observation that defects can occupy as large as 40% of the bilayer surface, we propose a kinetic defect growth model. We also study the effect of melittin on the phase behavior of DOPC/egg-sphingomyelin/cholesterol bilayers. We find that melittin initially suppresses or eliminates liquid-ordered (Lo) domains; Lo domains gradually emerge and become the dominant species with longer incubation; and defects in phase-coexisting bilayers have a most probable radius of ∼5 nm and are exclusively localized in the liquid-disordered (Ld) phase. Our experimental data highlight that melittin-induced membrane defects are not static; conversely, spontaneous defect growth is intrinsically associated with membrane permeabilization exerted by melittin.

Translocation of a Polymer Chain across a Nanopore: A Brownian Dynamics Simulation Study

NASA Technical Reports Server (NTRS)

Tian, Pu; Smith, Grant D.

2003-01-01

We carried out Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore under the driving of an applied field (chemical potential gradient). The translocation process can be either dominated by the entropic barrier resulted from restricted motion of flexible polymer chains or by applied forces (or chemical gradient across the wall), we focused on the latter case in our studies. Calculation of radius of gyrations at the two opposite sides of the wall shows that the polymer chains are not in equilibrium during the translocation process. Despite this fact, our results show that the one-dimensional diffusion and the nucleation model provide an excellent description of the dependence of average translocation time on the chemical potential gradients, the polymer chain length and the solvent viscosity. In good agreement with experimental results and theoretical predictions, the translocation time distribution of our simple model shows strong non-Gaussian characteristics. It is observed that even for this simple tubelike pore geometry, more than one peak of translocation time distribution can be generated for proper pore diameter and applied field strengths. Both repulsive Weeks-Chandler-Anderson and attractive Lennard-Jones polymer-nanopore interaction were studied, attraction facilitates the translocation process by shortening the total translocation time and dramatically improve the capturing of polymer chain. The width of the translocation time distribution was found to decrease with increasing temperature, increasing field strength, and decreasing pore diameter.

Noncatalytic hydrogenation of naphthalene in nanosized membrane reactors with accumulated hydrogen and controlled adjustment of their reaction zone volumes

NASA Astrophysics Data System (ADS)

Soldatov, A. P.

2017-05-01

As part of ongoing studies aimed at designing the next generation of nanosized membrane reactors (NMRs) with accumulated hydrogen, the noncatalytic hydrogenation of naphthalene in pores of ceramic membranes (TRUMEM ultrafiltration membranes with D av = 50 and 90 nm) is performed for the first time, using hydrogen preadsorbed in a hybrid carbon nanostructure: mono- and multilayered oriented carbon nanotubes with graphene walls (OCNTGs) that form on inner pore surfaces. In this technique, the reaction proceeds in the temperature range of 330-390°C at contact times of 10-16 h. The feedstock is an 8% naphthalene solution in decane. The products are analyzed via chromatography on a quartz capillary column coated with polydimethylsiloxane (SE-30). It is established for the first time that in NMRs, the noncatalytic hydrogenation of naphthalene occurs at 370-390°C, forming 1,2,3,4-tetrahydronaphthalene in amounts of up to 0.61%. The rate constants and activation energy (123.5 kJ/mol) of the noncatalytic hydrogenation reaction are determined for the first time. The possibility of designing an NMR with an adjustable reaction zone volume is explored. Changes in the pore structure of the membranes after their modification with pyrocarbon nanosized crystallites (PNCs) are therefore studied as well. It is shown that lengthening the process time reduces pore size: within 23 h after the deposition of PNCs, the average pore radius ( r av) falls from 25 to 3.1 nm. The proposed approach would allow us to design nanoreactors of molecular size and conduct hydrogenation reactions within certain guidelines to synthesize new chemical compounds.

Electrophoretic mobilities of counterions and a polymer in cylindrical pores

PubMed Central

Singh, Sunil P.; Muthukumar, M.

2014-01-01

We have simulated the transport properties of a uniformly charged flexible polymer chain and its counterions confined inside cylindrical nanopores under an external electric field. The hydrodynamic interaction is treated by describing the solvent molecules explicitly with the multiparticle collision dynamics method. The chain consisting of charged monomers and the counterions interact electrostatically with themselves and with the external electric field. We find rich behavior of the counterions around the polymer under confinement in the presence of the external electric field. The mobility of the counterions is heterogeneous depending on their location relative to the polymer. The adsorption isotherm of the counterions on the polymer depends nonlinearly on the electric field. As a result, the effective charge of the polymer exhibits a sigmoidal dependence on the electric field. This in turn leads to a nascent nonlinearity in the chain stretching and electrophoretic mobility of the polymer in terms of their dependence on the electric field. The product of the electric field and the effective polymer charge is found to be the key variable to unify our simulation data for various polymer lengths. Chain extension and the electrophoretic mobility show sigmoidal dependence on the electric field, with crossovers from the linear response regime to the nonlinear regime and then to the saturation regime. The mobility of adsorbed counterions is nonmonotonic with the electric field. For weaker and moderate fields, the adsorbed counterions move with the polymer and at higher fields they move opposite to the polymer's direction. We find that the effective charge and the mobility of the polymer decrease with a decrease in the pore radius. PMID:25240366

The effect of soil on cork quality.

PubMed

Pestana, Miguel N; Gomes, Alberto A

2014-01-01

The present work aimed to contribute for a better knowledge regarding soil features as cork quality indicators for stoppers. Cork sampling was made in eight Cork oak stands (montados de sobreiro) located in the Plio-Plistocene sedimentary formations of Península de Setúbal in southern Tagus River region. The samples used to classify the cork as stopper for wine bottles were obtained in eight cork oak stands, covering soils of different types of sandstones of the Plio-plistocene. In each stand, we randomly chose five circular plots with 30 m radius and five trees per plot with same stripping conditions determined by: dendrometric features (HD- height stipping, PBH- perimeter at breaster height), trees vegetative condition (defoliation degree); stand features (density, percentage canopy cover); site conditions (soil type and orientation). In the center of each plot a pit was open to characterize the soil profile and to classify the soil. Cork quality for stoppers was evaluated according to porosity, pores/per cm(2) and cork boards thickness. The soil was characterized according to morphological soil profile features (lithology, soil profound, and soil horizons) and chemical soil surface horizon features (organic matter, pH, macro, and micronutrients availability). Based on the variables studied and using the numerical taxonomy, we settled relationships between the cork quality and some soil features. The results indicate: (1) high correlation between the cork caliber and boron, cation exchange capacity, total nitrogen, exchange acidity, and exchangeable magnesium, potassium, calcium, and sodium in soils of theirs cork oaks; (2) the cork porosity is correlated with the number of pores/cm(2) and magnesium soil content; (3) the other soil features have a lower correlation with the caliber, porosity, and the number of pores per cm(2).

The effect of soil on cork quality

PubMed Central

Pestana, Miguel N.; Gomes, Alberto A.

2014-01-01

The present work aimed to contribute for a better knowledge regarding soil features as cork quality indicators for stoppers. Cork sampling was made in eight Cork oak stands (montados de sobreiro) located in the Plio-Plistocene sedimentary formations of Península de Setúbal in southern Tagus River region. The samples used to classify the cork as stopper for wine bottles were obtained in eight cork oak stands, covering soils of different types of sandstones of the Plio-plistocene. In each stand, we randomly chose five circular plots with 30 m radius and five trees per plot with same stripping conditions determined by: dendrometric features (HD- height stipping, PBH- perimeter at breaster height), trees vegetative condition (defoliation degree); stand features (density, percentage canopy cover); site conditions (soil type and orientation). In the center of each plot a pit was open to characterize the soil profile and to classify the soil. Cork quality for stoppers was evaluated according to porosity, pores/per cm2 and cork boards thickness. The soil was characterized according to morphological soil profile features (lithology, soil profound, and soil horizons) and chemical soil surface horizon features (organic matter, pH, macro, and micronutrients availability). Based on the variables studied and using the numerical taxonomy, we settled relationships between the cork quality and some soil features. The results indicate: (1) high correlation between the cork caliber and boron, cation exchange capacity, total nitrogen, exchange acidity, and exchangeable magnesium, potassium, calcium, and sodium in soils of theirs cork oaks; (2) the cork porosity is correlated with the number of pores/cm2 and magnesium soil content; (3) the other soil features have a lower correlation with the caliber, porosity, and the number of pores per cm2. PMID:25353015

Strain-dependent partial slip on rock fractures under seismic-frequency torsion: Seismic-Frequency Fracture Partial Slip

DOE PAGES

Saltiel, Seth; Bonner, Brian P.; Ajo-Franklin, Jonathan B.

2017-05-05

Measurements of nonlinear modulus and attenuation of fractures provide the opportunity to probe their mechanical state. We have adapted a low-frequency torsional apparatus to explore the seismic signature of fractures under low normal stress, simulating low effective stress environments such as shallow or high pore pressure reservoirs. We report strain-dependent modulus and attenuation for fractured samples of Duperow dolomite (a carbon sequestration target reservoir in Montana), Blue Canyon Dome rhyolite (a geothermal analog reservoir in New Mexico), and Montello granite (a deep basement disposal analog from Wisconsin). We use a simple single effective asperity partial slip model to fit ourmore » measured stress-strain curves, and solve for the friction coefficient, contact radius, and full slip condition. These observations have the potential to develop into new field techniques for measuring differences in frictional properties during reservoir engineering manipulations and estimate the stress conditions where reservoir fractures and faults begin to fully slip.« less

Strain-dependent partial slip on rock fractures under seismic-frequency torsion: Seismic-Frequency Fracture Partial Slip

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

Saltiel, Seth; Bonner, Brian P.; Ajo-Franklin, Jonathan B.

Measurements of nonlinear modulus and attenuation of fractures provide the opportunity to probe their mechanical state. We have adapted a low-frequency torsional apparatus to explore the seismic signature of fractures under low normal stress, simulating low effective stress environments such as shallow or high pore pressure reservoirs. We report strain-dependent modulus and attenuation for fractured samples of Duperow dolomite (a carbon sequestration target reservoir in Montana), Blue Canyon Dome rhyolite (a geothermal analog reservoir in New Mexico), and Montello granite (a deep basement disposal analog from Wisconsin). We use a simple single effective asperity partial slip model to fit ourmore » measured stress-strain curves, and solve for the friction coefficient, contact radius, and full slip condition. These observations have the potential to develop into new field techniques for measuring differences in frictional properties during reservoir engineering manipulations and estimate the stress conditions where reservoir fractures and faults begin to fully slip.« less

Drop Impingement on Highly Wetting Micro/Nano Porous Surfaces

NASA Astrophysics Data System (ADS)

Buie, Cullen; Joung, Youngsoo

2011-11-01

Recently, we developed a novel fabrication method using a combination of electrophoretic deposition (EPD) and break down anodization (BDA) to achieve highly wetting nanoporous surfaces with microscale features. In this study we investigate droplet impingement behavior on these surfaces as a function of impact velocity, droplet size, and liquid properties. We observe impingement modes we denote as ``necking'' (droplet breaks before full penetration in the porous surface), ``spreading'' (continuous wicking into the porous surface), and ``jetting'' (jets of liquid emanate from the edges of the wicking liquid). To predict the droplet impingement modes, we've developed a non-dimensional parameter that is a function of droplet velocity, dynamic viscosity, effective pore radius and contact angle. The novel dimensionless parameter successfully predicts drop impingement modes across multiple fluids. Results of this study will inform the design of spray impingement cooling systems for electronics applications where the ``spreading'' mode is preferred.

Water droplet evaporation from sticky superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Lee, Moonchan; Kim, Wuseok; Lee, Sanghee; Baek, Seunghyeon; Yong, Kijung; Jeon, Sangmin

2017-07-01

The evaporation dynamics of water from sticky superhydrophobic surfaces was investigated using a quartz crystal microresonator and an optical microscope. Anodic aluminum oxide (AAO) layers with different pore sizes were directly fabricated onto quartz crystal substrates and hydrophobized via chemical modification. The resulting AAO layers exhibited hydrophobic or superhydrophobic characteristics with strong adhesion to water due to the presence of sealed air pockets inside the nanopores. After placing a water droplet on the AAO membranes, variations in the resonance frequency and Q-factor were measured throughout the evaporation process, which were related to changes in mass and viscous damping, respectively. It was found that droplet evaporation from a sticky superhydrophobic surface followed a constant contact radius (CCR) mode in the early stage of evaporation and a combination of CCR and constant contact angle modes without a Cassie-Wenzel transition in the final stage. Furthermore, AAO membranes with larger pore sizes exhibited longer evaporation times, which were attributed to evaporative cooling at the droplet interface.

Peptidoglycan-associated outer membrane protein Mep45 of rumen anaerobe Selenomonas ruminantium forms a non-specific diffusion pore via its C-terminal transmembrane domain.

PubMed

Kojima, Seiji; Hayashi, Kanako; Tochigi, Saeko; Kusano, Tomonobu; Kaneko, Jun; Kamio, Yoshiyuki

2016-10-01

The major outer membrane protein Mep45 of Selenomonas ruminantium, an anaerobic Gram-negative bacterium, comprises two distinct domains: the N-terminal S-layer homologous (SLH) domain that protrudes into the periplasm and binds to peptidoglycan, and the remaining C-terminal transmembrane domain, whose function has been unknown. Here, we solubilized and purified Mep45 and characterized its function using proteoliposomes reconstituted with Mep45. We found that Mep45 forms a nonspecific diffusion channel via its C-terminal region. The channel was permeable to solutes smaller than a molecular weight of roughly 600, and the estimated pore radius was 0.58 nm. Truncation of the SLH domain did not affect the channel property. On the basis of the fact that Mep45 is the most abundant outer membrane protein in S. ruminantium, we conclude that Mep45 serves as a main pathway through which small solutes diffuse across the outer membrane of this bacterium.

An explanation of unstable wetting fronts in soils

NASA Astrophysics Data System (ADS)

Steenhuis, Tammo; Parlange, Jean-Yves; Kung, Samuel; Stoof, Cathelijne; Baver, Christine

2016-04-01

Despite the findings of Raats on unstable wetting front almost a half a century ago, simulating wetting fronts in soils is still an area of active research. One of the critical questions currently is whether Darcy law is valid at the wetting front. In this talk, we pose that in many cases for dry soils, Darcy's law does not apply because the pressure field across the front is not continuous. Consequently, the wetting front pressure is not dependent on the pressure ahead of the front but is determined by the radius of water meniscuses and the dynamic contact angle of the water. If we further assume since the front is discontinuous, that water flows at one pore at the time, then by using the modified Hoffman relationship - relating the dynamic contact angle to the pore water velocity - we find the elevated pressures at the wetting front typical for unstable flows that are similar to those observed experimentally in small diameter columns. The theory helps also explain the funnel flow phenomena observed in layered soils.

Recent Advances in the Separation of Rare Earth Elements Using Mesoporous Hybrid Materials.

PubMed

Hu, Yimu; Florek, Justyna; Larivière, Dominic; Fontaine, Frédéric-Georges; Kleitz, Freddy

2018-05-27

Over the past decades, the need for rare earth elements (REEs) has increased substantially, mostly because these elements are used as valuable additives in advanced technologies. However, the difference in ionic radius between neighboring REEs is small, which renders an efficient sized-based separation extremely challenging. Among different types of extraction methods, solid-phase extraction (SPE) is a promising candidate, featuring high enrichment factor, rapid adsorption kinetics, reduced solvent consumption and minimized waste generation. The great challenge remains yet to develop highly efficient and selective adsorbents for this process. In this regard, ordered mesoporous materials (OMMs) possess high specific surface area, tunable pore size, large pore volume, as well as stable and interconnected frameworks with active pore surfaces for functionalization. Such features meet the requirements for enhanced adsorbents, not only providing huge reactional interface and large surface capable of accommodating guest species, but also enabling the possibility of ion-specific binding for enrichment and separation purposes. This short personal account summarizes some of the recent advances in the use of porous hybrid materials as selective sorbents for REE separation and purification, with particular attention devoted to ordered mesoporous silica and carbon-based sorbents. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Soil-Moisture Retention Curves, Capillary Pressure Curves, and Mercury Porosimetry: A Theoretical and Computational Investigation of the Determination of the Geometric Properties of the Pore Space

NASA Astrophysics Data System (ADS)

Strand, T. E.; Wang, H. F.

2003-12-01

Immiscible displacement protocols have long been used to infer the geometric properties of the void space in granular porous media. The three most commonly used experimental techniques are the measurement of soil-moisture retention curves and relative permeability-capillary pressure-saturation relations, as well as mercury intrusion porosimetry experiments. A coupled theoretical and computational investigation was performed that provides insight into the limitations associated with each technique and quantifies the relationship between experimental observations and the geometric properties of the void space. It is demonstrated that the inference of the pore space geometry from both mercury porosimetry experiments and measurements of capillary pressure curves is influenced by trapping/mobilization phenomena and subject to scaling behavior. In addition, both techniques also assume that the capillary pressure at a location on the meniscus can be approximated by a pressure difference across a region or sample. For example, when performing capillary pressure measurements, the capillary pressure, taken to be the difference between the injected fluid pressure at the inlet and the defending fluid pressure at the outlet, is increased in a series of small steps and the fluid saturation is measured each time the system reaches steady. Regions of defending fluid that become entrapped by the invading fluid can be subsequently mobilized at higher flow rates (capillary pressures), contributing to a scale-dependence of the capillary pressure-saturation curve that complicates the determination of the properties of the pore space. This scale-dependence is particularly problematic for measurements performed at the core scale. Mercury porosimetry experiments are subject to similar limitations. Trapped regions of defending fluid are also present during the measurement of soil-moisture retention curves, but the effects of scaling behavior on the evaluation of the pore space properties from the immiscible displacement structure are much simpler to account for due to the control of mobilization phenomena. Some mobilization may occur due to film flow, but this can be limited by keeping time scales relatively small or exploited at longer time scales in order to quantify the rate of film flow. Computer simulations of gradient-stabilized drainage and imbibition to the (respective) equilibrium positions were performed using a pore-scale modified invasion percolation (MIP) model in order to quantify the relationship between the saturation profile and the geometric properties of the void space. These simulations are similar to the experimental measurement of soil-moisture retention curves. Results show that the equilibrium height and the width of the equilibrium fringe depend on two length scale distributions, one controlling the imbibition equilibrium structure and the other controlling the drainage structure. The equilibrium height is related to the mean value of the appropriate distribution as described by Jurin's law, and the width of the equilibrium fringe scales as a function of a combined parameter, the Bond number, Bo, divided by the coefficient of variation (cov). Simulations also demonstrate that the apparent radius distribution obtained from saturation profiles using direct inversion by Jurin's law is a subset of the actual distribution in the porous medium. The relationship between the apparent and actual radius distributions is quantified in terms of the combined parameter, Bo/cov, and the mean coordination number of the porous medium.

Compartment models of the diffusion MR signal in brain white matter: a taxonomy and comparison.

PubMed

Panagiotaki, Eleftheria; Schneider, Torben; Siow, Bernard; Hall, Matt G; Lythgoe, Mark F; Alexander, Daniel C

2012-02-01

This paper aims to identify the minimum requirements for an accurate model of the diffusion MR signal in white matter of the brain. We construct a taxonomy of multi-compartment models of white matter from combinations of simple models for the intra- and the extra-axonal spaces. We devise a new diffusion MRI protocol that provides measurements with a wide range of imaging parameters for diffusion sensitization both parallel and perpendicular to white matter fibres. We use the protocol to acquire data from two fixed rat brains, which allows us to fit, study and compare the different models. The study examines a total of 47 analytic models, including several well-used models from the literature, which we place within the taxonomy. The results show that models that incorporate intra-axonal restriction, such as ball and stick or CHARMED, generally explain the data better than those that do not, such as the DT or the biexponential models. However, three-compartment models which account for restriction parallel to the axons and incorporate pore size explain the measurements most accurately. The best fit comes from combining a full diffusion tensor (DT) model of the extra-axonal space with a cylindrical intra-axonal component of single radius and a third spherical compartment of non-zero radius. We also measure the stability of the non-zero radius intra-axonal models and find that single radius intra-axonal models are more stable than gamma distributed radii models with similar fitting performance. Copyright © 2011 Elsevier Inc. All rights reserved.

Measurement of Capillary Radius and Contact Angle within Porous Media.

PubMed

Ravi, Saitej; Dharmarajan, Ramanathan; Moghaddam, Saeed

2015-12-01

The pore radius (i.e., capillary radius) and contact angle determine the capillary pressure generated in a porous medium. The most common method to determine these two parameters is through measurement of the capillary pressure generated by a reference liquid (i.e., a liquid with near-zero contact angle) and a test liquid. The rate of rise technique, commonly used to determine the capillary pressure, results in significant uncertainties. In this study, we utilize a recently developed technique for independently measuring the capillary pressure and permeability to determine the equivalent minimum capillary radii and contact angle of water within micropillar wick structures. In this method, the experimentally measured dryout threshold of a wick structure at different wicking lengths is fit to Darcy's law to extract the maximum capillary pressure generated by the test liquid. The equivalent minimum capillary radii of different wick geometries are determined by measuring the maximum capillary pressures generated using n-hexane as the working fluid. It is found that the equivalent minimum capillary radius is dependent on the diameter of pillars and the spacing between pillars. The equivalent capillary radii of micropillar wicks determined using the new method are found to be up to 7 times greater than the current geometry-based first-order estimates. The contact angle subtended by water at the walls of the micropillars is determined by measuring the capillary pressure generated by water within the arrays and the measured capillary radii for the different geometries. This mean contact angle of water is determined to be 54.7°.

Ion-stimulated mass transport in nanoscale morphology evolution

NASA Astrophysics Data System (ADS)

George, Henry Bola

We observe temporal evolution of two distinct lateral length scales in surface topography following low energy, E, argon ion (Ar+) irradiation of Si(001). From real-space AFM topographs, we observe that the short-wavelength, lambda (high-wavenumber, q) evolve as nearly isotropic dots while the longer-lambda (low- q) features appear as isotropic "rings" at normal incidence and as anisotropic ripples at off-normal incidence with their wavevector orthogonal to the ion beam. We explain our results in terms of an interplay between smoothening by ion-enhanced viscous flow and roughening driven by ion sputtering (for high-q features) or elastic strain energy relief (for low- q features). Our proposed mechanisms also explain the weak temperature and flux dependence of both wavelengths. We also observe stable flat surfaces following irradiation at incidence angles greater than 20° from normal, E > 500 eV and temperature > 300°C. To explain non-diverging wavelengths as the smoothening boundary is approached, we present evidence that non-local terms are needed in the height evolution equation. We report the influence of pre-patterned boundaries in guiding ripples appearing during uniform irradiation at high temperatures. Compared to untemplated samples, we observe that the long-range order of the guided ripples is significantly enhanced. We develop a scalar figure of merit to characterize the degree of order of the patterns. We observe that templating is most efficient when the boundaries are separated by an integer multiple of the spontaneously arising wavelength. We report new observations following ion sculpting of nanopores. Among these are: (1) The formation of nanopores is not limited to insulators: we successfully close pores in other materials including silicon dioxide, amorphous silicon (semiconductor) and palladium silicide (metallic glass). (2) Pores retain "memory" of their initial radius: at the same instantaneous radius, pores that started off smaller require less argon fluence for closure. (3) In some cases the closure rate increases strongly with temperature but saturates at higher temperatures. As a partial explanation to these observations, we propose that anisotropic strain deformation is not limited to MeV irradiation of amorphous materials but plays an important role even in the keV regime.

Preparation and magnetic properties of cylindrical NiFe films and antidot arrays.

PubMed

Sanz, R; Navas, D; Vazquez, M; Hernández-Vélez, M; Ross, C A

2010-10-01

Continuous NiFe (Permalloy) cylindrical films and arrays of cylindrical NiFe antidots 7 nm thick have been prepared by sputtering onto cylindrical aluminum wires and onto wires anodized to form a porous anodic alumina layer. The antidots are arranged in a close-packed pattern determined by the hexagonal pore arrangement in the porous alumina, with period 103 nm and diameter 42 nm. Hysteresis loops were measured at different angles with respect to the cylinder axis and indicate an easy plane normal to the radius of the wire. The antidots enhance the coercivity compared to the continuous cylindrical film.

Effect of interactions between Co(2+) and surface goethite layer on the performance of α-FeOOH coated hollow fiber ceramic ultrafiltration membranes.

PubMed

Zhu, Zhiwen; Zhu, Li; Li, Jianrong; Tang, Jianfeng; Li, Gang; Hsieh, Yi-Kong; Wang, TsingHai; Wang, Chu-Fang

2016-03-15

The consideration of water energy nexus inspires the environmental engineering community to pursue a more sustainable strategy in the wastewater treatment. One potential response would be to enhance the performance of the low-pressure driven filtration system. To reach this objective, it is essential to have a better understanding regarding the surface interaction between the target substance and the surface of membrane. In this study, the hollow fiber ceramic membranes were coated with a goethite layer in order to enhance the Co(2+) rejection. Experimental results indicate that higher Co(2+) rejections are always accompanied with the significant reduction in the permeability. Based on the consideration of electroviscous effect, the surface interactions including the induced changes in viscosity, pore radius and Donnan effect in the goethite layer are likely responsible for the pH dependent behaviors in the rejection and permeability. These results could be valuable references to develop the filtration system with high rejection along with acceptable degree of permeability in the future. Copyright © 2015 Elsevier Inc. All rights reserved.

Localized reactive flow in carbonate rocks: Core-flood experiments and network simulations

NASA Astrophysics Data System (ADS)

Wang, Haoyue; Bernabé, Yves; Mok, Ulrich; Evans, Brian

2016-11-01

We conducted four core-flood experiments on samples of a micritic, reef limestone from Abu Dhabi under conditions of constant flow rate. The pore fluid was water in equilibrium with CO2, which, because of its lowered pH, is chemically reactive with the limestone. Flow rates were between 0.03 and 0.1 mL/min. The difference between up and downstream pore pressures dropped to final values ≪1 MPa over periods of 3-18 h. Scanning electron microscope and microtomography imaging of the starting material showed that the limestone is mostly calcite and lacks connected macroporosity and that the prevailing pores are few microns large. During each experiment, a wormhole formed by localized dissolution, an observation consistent with the decreases in pressure head between the up and downstream reservoirs. Moreover, we numerically modeled the changes in permeability during the experiments. We devised a network approach that separated the pore space into competing subnetworks of pipes. Thus, the problem was framed as a competition of flow of the reactive fluid among the adversary subnetworks. The precondition for localization within certain time is that the leading subnetwork rapidly becomes more transmissible than its competitors. This novel model successfully simulated features of the shape of the wormhole as it grew from few to about 100 µm, matched the pressure history patterns, and yielded the correct order of magnitude of the breakthrough time. Finally, we systematically studied the impact of changing the statistical parameters of the subnetworks. Larger mean radius and spatial correlation of the leading subnetwork led to faster localization.

Permeability-Selectivity Analysis of Microfiltration and Ultrafiltration Membranes: Effect of Pore Size and Shape Distribution and Membrane Stretching.

PubMed

Siddiqui, Muhammad Usama; Arif, Abul Fazal Muhammad; Bashmal, Salem

2016-08-06

We present a modeling approach to determine the permeability-selectivity tradeoff for microfiltration and ultrafiltration membranes with a distribution of pore sizes and pore shapes. Using the formulated permeability-selectivity model, the effect of pore aspect ratio and pore size distribution on the permeability-selectivity tradeoff of the membrane is analyzed. A finite element model is developed to study the effect of membrane stretching on the distribution of pore sizes and shapes in the stretched membrane. The effect of membrane stretching on the permeability-selectivity tradeoff of membranes is also analyzed. The results show that increasing pore aspect ratio improves membrane performance while increasing the width of pore size distribution deteriorates the performance. It was also found that the effect of membrane stretching on the permeability-selectivity tradeoff is greatly affected by the uniformity of pore distribution in the membrane. Stretching showed a positive shift in the permeability-selectivity tradeoff curve of membranes with well-dispersed pores while in the case of pore clustering, a negative shift in the permeability-selectivity tradeoff curve was observed.

General approach to polymer chains confined by interacting boundaries

NASA Astrophysics Data System (ADS)

Freed, Karl F.; Dudowicz, Jacek; Stukalin, Evgeny B.; Douglas, Jack F.

2010-09-01

Polymer chains, confined to cavities or polymer layers with dimensions less than the chain radius of gyration, appear in many phenomena, such as gel chromatography, rubber elasticity, viscolelasticity of high molar mass polymer melts, the translocation of polymers through nanopores and nanotubes, polymer adsorption, etc. Thus, the description of how the constraints alter polymer thermodynamic properties is a recurrent theoretical problem. A realistic treatment requires the incorporation of impenetrable interacting (attractive or repulsive) boundaries, a process that introduces significant mathematical complications. The standard approach involves developing the generalized diffusion equation description of the interaction of flexible polymers with impenetrable confining surfaces into a discrete eigenfunction expansion, where the solutions are normally truncated at the first mode (the "ground state dominance" approximation). This approximation is mathematically well justified under conditions of strong confinement, i.e., a confinement length scale much smaller than the chain radius of gyration, but becomes unreliable when the polymers are confined to dimensions comparable to their typically nanoscale size. We extend a general approach to describe polymers under conditions of weak to moderate confinement and apply this semianalytic method specifically to determine the thermodynamics and static structure factor for a flexible polymer confined between impenetrable interacting parallel plate boundaries. The method is first illustrated by analyzing chain partitioning between a pore and a large external reservoir, a model system with application to chromatography. Improved agreement is found for the partition coefficients of a polymer chain in the pore geometry. An expression is derived for the structure factor S(k ) in a slit geometry to assist in more accurately estimating chain dimensions from scattering measurements for thin polymer films.

Effect of hydrocarbon to nuclear magnetic resonance (NMR) logging in tight sandstone reservoirs and method for hydrocarbon correction

NASA Astrophysics Data System (ADS)

Xiao, Liang; Mao, Zhi-qiang; Xie, Xiu-hong

2017-04-01

It is crucial to understand the behavior of the T2 distribution in the presence of hydrocarbon to properly interpret pore size distribution from NMR logging. The NMR T2 spectrum is associated with pore throat radius distribution under fully brine saturated. However, when the pore space occupied by hydrocarbon, the shape of NMR spectrum is changed due to the bulk relaxation of hydrocarbon. In this study, to understand the effect of hydrocarbon to NMR logging, the kerosene and transformer oil are used to simulate borehole crude oils with different viscosity. 20 core samples, which were separately drilled from conventional, medium porosity and permeability and tight sands are saturated with four conditions of irreducible water saturation, fully saturated with brine, hydrocarbon-bearing condition and residual oil saturation, and the corresponding NMR experiments are applied to acquire NMR measurements. The residual oil saturation is used to simulate field NMR logging due to the shallow investigation depth of NMR logging. The NMR spectra with these conditions are compared, the results illustrate that for core samples drilled from tight sandstone reservoirs, the shape of NMR spectra have much change once they pore space occupied by hydrocarbon. The T2 distributions are wide, and they are bimodal due to the effect of bulk relaxation of hydrocarbon, even though the NMR spectra are unimodal under fully brine saturated. The location of the first peaks are similar with those of the irreducible water, and the second peaks are close to the bulk relaxation of viscosity oils. While for core samples drilled from conventional formations, the shape of T2 spectra have little changes. The T2 distributions overlap with each other under these three conditions of fully brine saturated, hydrocarbon-bearing and residual oil. Hence, in tight sandstone reservoirs, the shape of NMR logging should be corrected. In this study, based on the lab experiments, seven T2 times of 1ms, 3ms, 10ms, 33ms, 100ms, 300ms and 1000ms are first used to separate the T2 distributions of the residual oil saturation as 8 parts, and 8 pore components percentage compositions are calculated, second, an optimal T2 cutoff is determined to cut the T2 spectra of fully brine saturated conditions into two parts, the left parts (with short T2 time) represent to the irreducible water, and they do not need to be corrected, only the shape for the right parts of the T2 spectra needed to be corrected. Third the relationships among the amplitudes corresponding to the T2 times large than the optimal T2 cut off and 8 pore components percentage compositions are established, and they are used to predict corrected T2 amplitudes from NMR logging under residual oil saturation. Finally, the amplitudes corresponding to the left parts and the estimated amplitudes are spliced as the corrected NMR amplitudes, and a corrected T2 spectrum can be obtained. The reliability of this method is verified by comparing the corrected results and the experimental measurements. This method is extended to field application, fully water saturated T2 distributions are extracted from field NMR logging, and they are used to precisely evaluate hydrocarbon-bearing formations pore structure.

Protein osmotic pressure gradients and microvascular reflection coefficients.

PubMed

Drake, R E; Dhother, S; Teague, R A; Gabel, J C

1997-08-01

Microvascular membranes are heteroporous, so the mean osmotic reflection coefficient for a microvascular membrane (sigma d) is a function of the reflection coefficient for each pore. Investigators have derived equations for sigma d based on the assumption that the protein osmotic pressure gradient across the membrane (delta II) does not vary from pore to pore. However, for most microvascular membranes, delta II probably does vary from pore to pore. In this study, we derived a new equation for sigma d. According to our equation, pore-to-pore differences in delta II increase the effect of small pores and decrease the effect of large pores on the overall membrane osmotic reflection coefficient. Thus sigma d for a heteroporous membrane may be much higher than previously derived equations indicate. Furthermore, pore-to-pore delta II differences increase the effect of plasma protein osmotic pressure to oppose microvascular fluid filtration.

Impact of land management on soil structure and soil hydraulic properties

NASA Astrophysics Data System (ADS)

Kodesova, Radka; Jirku, Veronika; Nikodem, Antonin; Muhlhanselova, Marcela; Zigova, Anna

2010-05-01

Study is focused on a comparison of a soil structure and soil hydraulic properties within soil profiles of a same soil type under different land management. Study was performed in Haplic Luvisol in Hnevceves the Czech Republic. Two soil profiles, which were in close distance from each other, were chosen: 1. under the conventional tillage, 2. under the permanent (30 years) grass cover. Soil sampling and field experiments were carried out immediately after the harvest of winter barley in 2008. The micromorphological images were used to evaluate the soil structure of all Ap, Bt1, Bt2 and C diagnostic horizons. The hydraulic properties of the diagnostic horizons were studied in the laboratory using multistep outflow experiments performed on the undisturbed 100-cm3 soil samples. A tension disc infiltrometer (with a disc radius of 10 cm) and minidisc tension infiltrometers (with a disc radius of 2.2 cm) were used to measure cumulative water infiltration under unsaturated conditions created using a pressure head of -2 cm. Measurements were performed at a depths of 5, 45, 75 and 110 cm, which corresponded to the Ap, Bt1, Bt2 and C horizons of studied Haplic Luvisol at both locations. The Guelph permeameter was used to measure cumulative water flux under surface ponding conditions. The depth of the drilled well was 10, 50, 80 and 115 cm, the well radius was 3 cm, and the well ponding depth was 5 cm. Both tests were used to evaluate hydraulic conductivity (K for h=-2cm, and Ks) values. Results showed, that while properties in the Bt2 and C horizons of both soil profiles were relatively similar, properties in the Ap and Bt1 horizons were different. The fraction of gravitational pores (which may cause preferential flow) in the Ap and Bt1 horizons of the soil profile under the convectional tillage was large than those in the Ap and Bt1 horizons of the soil profile under the permanent grass. This influenced for instance the Ks values measured using the Guelph permeametr. The Ks values were higher and more variable in the soil profile under the convectional tillage than those in the soil profile under the permanent grass. On the other hand, due to the periodical tillage and consequent soil structure breakdown, the fraction of the large capillary pores were smaller in the Ap horizon of the soil profile under the convectional tillage than that in the Ap horizon of the soil profile under the permanent grass. As result the K (h=-2cm) values measured using the tension infiltrometer in the soil profile under the permanent grass was higher than those in the soil profile under the convectional tillage. However, the fraction of the large capillary pores and K (h=-2cm) values were similar in the Bt1 horizons of both soil profiles. Thus the land management impacted both macropores and matrix pores in the Ap horizon and macropores (prismatic structure and biopores) in the Bt1 horizon. Acknowledgement: Authors acknowledge the financial support of the Grant Agency of the Czech Republic (grant No. GA CR 526/08/0434) and the Ministry of Education, Youth and Sports of the Czech Republic (grant No. MSM 6046070901).

Interaction of inorganic anions with iron-mineral adsorbents in aqueous media--a review.

PubMed

Kumar, Eva; Bhatnagar, Amit; Hogland, William; Marques, Marcia; Sillanpää, Mika

2014-01-01

A number of inorganic anions (e.g., nitrate, fluoride, bromate, phosphate, and perchlorate) have been reported in alarming concentrations in numerous drinking water sources around the world. Their presence even in very low concentrations may cause serious environmental and health related problems. Due to the presence and significance of iron minerals in the natural aquatic environment and increasing application of iron in water treatment, the knowledge of the structure of iron and iron minerals and their interactions with aquatic pollutants, especially inorganic anions in water are of great importance. Iron minerals have been known since long as potential adsorbents for the removal of inorganic anions from aqueous phase. The chemistry of iron and iron minerals reactions in water is complex. The adsorption ability of iron and iron minerals towards inorganic anions is influenced by several factors such as, surface characteristics of the adsorbent (surface area, density, pore volume, porosity, pore size distribution, pHpzc, purity), pH of the solution, and ionic strength. Furthermore, the physico-chemical properties of inorganic anions (pore size, ionic radius, bulk diffusion coefficient) also significantly influence the adsorption process. The aim of this paper is to provide an overview of the properties of iron and iron minerals and their reactivity with some important inorganic anionic contaminants present in water. It also summarizes the usage of iron and iron minerals in water treatment technology. © 2013.

Pore-Scale Modeling of Pore Structure Effects on P-Wave Scattering Attenuation in Dry Rocks

PubMed Central

Li, Tianyang; Qiu, Hao; Wang, Feifei

2015-01-01

Underground rocks usually have complex pore system with a variety of pore types and a wide range of pore size. The effects of pore structure on elastic wave attenuation cannot be neglected. We investigated the pore structure effects on P-wave scattering attenuation in dry rocks by pore-scale modeling based on the wave theory and the similarity principle. Our modeling results indicate that pore size, pore shape (such as aspect ratio), and pore density are important factors influencing P-wave scattering attenuation in porous rocks, and can explain the variation of scattering attenuation at the same porosity. From the perspective of scattering attenuation, porous rocks can safely suit to the long wavelength assumption when the ratio of wavelength to pore size is larger than 15. Under the long wavelength condition, the scattering attenuation coefficient increases as a power function as the pore density increases, and it increases exponentially with the increase in aspect ratio. For a certain porosity, rocks with smaller aspect ratio and/or larger pore size have stronger scattering attenuation. When the pore aspect ratio is larger than 0.5, the variation of scattering attenuation at the same porosity is dominantly caused by pore size and almost independent of the pore aspect ratio. These results lay a foundation for pore structure inversion from elastic wave responses in porous rocks. PMID:25961729

Research on key factors and their interaction effects of electromagnetic force of high-speed solenoid valve.

PubMed

Liu, Peng; Fan, Liyun; Hayat, Qaisar; Xu, De; Ma, Xiuzhen; Song, Enzhe

2014-01-01

Analysis consisting of numerical simulations along with lab experiments of interaction effects between key parameters on the electromagnetic force based on response surface methodology (RSM) has been also proposed to optimize the design of high-speed solenoid valve (HSV) and improve its performance. Numerical simulation model of HSV has been developed in Ansoft Maxwell environment and its accuracy has been validated through lab experiments. Effect of change of core structure, coil structure, armature structure, working air gap, and drive current on the electromagnetic force of HSV has been analyzed through simulation model and influence rules of various parameters on the electromagnetic force have been established. The response surface model of the electromagnetic force has been utilized to analyze the interaction effect between major parameters. It has been concluded that six interaction factors including working air gap with armature radius, drive current with armature thickness, coil turns with side pole radius, armature thickness with its radius, armature thickness with side pole radius, and armature radius with side pole radius have significant influence on the electromagnetic force. Optimal match values between coil turns and side pole radius; armature thickness and side pole radius; and armature radius and side pole radius have also been determined.

Research on Key Factors and Their Interaction Effects of Electromagnetic Force of High-Speed Solenoid Valve

PubMed Central

Fan, Liyun; Xu, De; Ma, Xiuzhen; Song, Enzhe

2014-01-01

Analysis consisting of numerical simulations along with lab experiments of interaction effects between key parameters on the electromagnetic force based on response surface methodology (RSM) has been also proposed to optimize the design of high-speed solenoid valve (HSV) and improve its performance. Numerical simulation model of HSV has been developed in Ansoft Maxwell environment and its accuracy has been validated through lab experiments. Effect of change of core structure, coil structure, armature structure, working air gap, and drive current on the electromagnetic force of HSV has been analyzed through simulation model and influence rules of various parameters on the electromagnetic force have been established. The response surface model of the electromagnetic force has been utilized to analyze the interaction effect between major parameters. It has been concluded that six interaction factors including working air gap with armature radius, drive current with armature thickness, coil turns with side pole radius, armature thickness with its radius, armature thickness with side pole radius, and armature radius with side pole radius have significant influence on the electromagnetic force. Optimal match values between coil turns and side pole radius; armature thickness and side pole radius; and armature radius and side pole radius have also been determined. PMID:25243217

[Using Molecular Simulations to Understand Complex Nanoscale Dynamic Phenomena in Polymer Solutions

NASA Technical Reports Server (NTRS)

Smith, Grant

2004-01-01

The first half of the project concentrated on molecular simulation studies of the translocation of model molecules for single-stranded DNA through a nanosized pore. This has resulted in the publication, Translocation of a polymer chain across a nanopore: A Brownian dynamics simulation study, by Pu Tian and Grant D. Smith, JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBER 21 1 DECEMBER 2003, which is attached to this report. In this work we carried out Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore under the driving of an applied field (chemical potential gradient) designed to mimic an electrostatic field. The translocation process can be either dominated by the entropic barrier resulted from restricted motion of flexible polymer chains or by applied forces (or chemical gradient). We focused on the latter case in our studies. Calculation of radius of gyration of the translocating chain at the two opposite sides of the wall shows that the polymer chains are not in equilibrium during the translocation process. Despite this fact, our results show that the one-dimensional diffusion and the nucleation model provide an excellent description of the dependence of average translocation time on the chemical potential gradients, the polymer chain length and the solvent viscosity. In good agreement with experimental results and theoretical predictions, the translocation time distribution of our simple model shows strong non-Gaussian characteristics. It is observed that even for this simple tube-like pore geometry, more than one peak of translocation time distribution can be generated for proper pore diameter and applied field strengths. Both repulsive Weeks-Chandler-Anderson and attractive Lennard-Jones polymer-nanopore interaction were studied. Attraction facilitates the translocation process by shortening the total translocation time and dramatically improve the capturing of polymer chain. The width of the translocation time distribution was found to decrease with increasing temperature, increasing field strength, and decreasing pore diameter.

External and Intraparticle Diffusion of Coumarin 102 with Surfactant in the ODS-silica Gel/water System by Single Microparticle Injection and Confocal Fluorescence Microspectroscopy.

PubMed

Nakatani, Kiyoharu; Matsuta, Emi

2015-01-01

The release mechanism of coumarin 102 from a single ODS-silica gel microparticle into the water phase in the presence of Triton X-100 was investigated by confocal fluorescence microspectroscopy combined with the single microparticle injection technique. The release rate significantly depended on the Triton X-100 concentration in the water phase and was not limited by diffusion in the pores of the microparticle. The release rate constant was inversely proportional to the microparticle radius squared, indicating that the rate-determining step is the external diffusion between the microparticle and the water phase.

Characterization of Nanoencapsulated Centella asiatica and Zingiber officinale Extract Using Combination of Malto Dextrin and Gum Arabic as Matrix

NASA Astrophysics Data System (ADS)

Meliana, Y.; Harmami, S. B.; Restu, W. K.

2017-02-01

This research investigated nanoencapsulation of Centella asiatica and Zingiber officinale extract. The encapsulated extract was used as a complex matrix of multi-layered interfacial membranes between malto dextrin and gum Arabic. Characterization of nanoencapsulation using Transmission Electron Microscope (TEM), Fourier Transform Infrared Spectroscopy (FTIR) and BET surface area (SA) showed the morphology, functional group and cumulative adsorption in the surface area of pores. The TEM image of the nanoencapsulated powders of Centella asiatica and Zingiber officinale extract showed a nearly spherical shape with the particle size of 664 nm from its average radius.

The Effect of the Pore Entrance on Particle Motion in Slit Pores: Implications for Ultrathin Membranes

PubMed Central

Delavari, Armin; Baltus, Ruth

2017-01-01

Membrane rejection models generally neglect the effect of the pore entrance on intrapore particle transport. However, entrance effects are expected to be particularly important with ultrathin membranes, where membrane thickness is typically comparable to pore size. In this work, a 2D model was developed to simulate particle motion for spherical particles moving at small Re and infinite Pe from the reservoir outside the pore into a slit pore. Using a finite element method, particles were tracked as they accelerated across the pore entrance until they reached a steady velocity in the pore. The axial position in the pore where particle motion becomes steady is defined as the particle entrance length (PEL). PELs were found to be comparable to the fluid entrance length, larger than the pore size and larger than the thickness typical of many ultrathin membranes. Results also show that, in the absence of particle diffusion, hydrodynamic particle–membrane interactions at the pore mouth result in particle “funneling” in the pore, yielding cross-pore particle concentration profiles focused at the pore centerline. The implications of these phenomena on rejection from ultrathin membranes are examined. PMID:28796197

Development of a reactive burn model based on an explicit viscoplastic pore collapse model

NASA Astrophysics Data System (ADS)

Bouton, E.; Lefrançois, A.; Belmas, R.

2017-01-01

The aim of this study is to develop a reactive burn model based upon a microscopic hot spot model to compute the shock-initiation of pressed TATB high explosives. Such a model has been implemented in a lagrangian hydrodynamic code. In our calculations, 8 pore radii, ranging from 40 nm to 0.63 μm, have been taken into account and the porosity fraction associated to each void radius has been deduced from the Ultra-Small-Angle X-ray Scattering measurements (USAXS) for PBX-9502. The last parameter of our model is a burn rate that depends on three variables. The first two are the reaction progress variable and the lead shock pressure, the last one is the chemical reaction site number produced in the flow and calculated by the microscopic model. This burn rate has been calibrated by fitting pressure, velocity profiles and run distances to detonation. As the computed results are in close agreement with the measured ones, this model is able to perform a wide variety of numerical simulations including single, double shock waves and the desensitization phenomenon.

Three-dimensional Mesoscale Simulations of Detonation Initiation in Energetic Materials with Density-based Kinetics

NASA Astrophysics Data System (ADS)

Jackson, Thomas; Jost, A. M.; Zhang, Ju; Sridharan, P.; Amadio, G.

2017-06-01

In this work we present three-dimensional mesoscale simulations of detonation initiation in energetic materials. We solve the reactive Euler equations, with the energy equation augmented by a power deposition term. The reaction rate at the mesoscale is modelled using a density-based kinetics scheme, adapted from standard Ignition and Growth models. The deposition term is based on previous results of simulations of pore collapse at the microscale, modelled at the mesoscale as hot-spots. We carry out three-dimensional mesoscale simulations of random packs of HMX crystals in a binder, and show that the transition between no-detonation and detonation depends on the number density of the hot-spots, the initial radius of the hot-spot, the post-shock pressure of an imposed shock, and the amplitude of the power deposition term. The trends of transition at lower pressure of the imposed shock for larger number density of pore observed in experiments is reproduced. Initial attempts to improve the agreement between the simulation and experiments through calibration of various parameters will also be made.

Lattice density functional theory investigation of pore shape effects. I. Adsorption in single nonperiodic pores.

PubMed

Malanoski, A P; van Swol, Frank

2002-10-01

A fully explicit in three dimensions lattice density functional theory is used to investigate adsorption in single nonperiodic pores. The effect of varying pore shape from the slits and cylinders that are normally simulated was our primary interest. A secondary concern was the results for pores with very large diameters. The shapes investigated were square pores with or without surface roughness, cylinders, right triangle pores, and trapezoidal pores. It was found that pores with very similar shape factors gave similar results but that the introduction of acute angled corners or very large side ratio lengths in rectangular pores gave results that were significantly different. Further, a rectangular pore going towards the limit of infinite side ratio does not approach the results of a slit pore. In all of these cases, the importance of features that are present for only a small portion of the pore is demonstrated.

Interfacial morphology of low-voltage anodic aluminium oxide

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

Hu, Naiping; Dongcinn, Xuecheng; He, Xueying

X-ray reflectivity (XRR) and neutron reflectivity (NR), as well as ultra-smallangle X-ray scattering (USAXS), are used to examine the in-plane and surfacenormal structure of anodic films formed on aluminium alloy AA2024 and pure aluminium. Aluminium and alloy films up to 3500 A thick were deposited on Si wafers by electron beam evaporation of ingots. Porous anodic aluminium oxide (AAO) films are formed by polarizing at constant voltage up to 20 V noble to the open circuit potential. The voltage sweet spot (5 V) appropriate for constant-voltage anodization of such thin films was determined for both alloy and pure Al. Inmore » addition, a new concurrent voltage- and current-control protocol was developed to prepare films with larger pores (voltages higher than 5 V), but formed at a controlled current so that pore growth is slow enough to avoid stripping the aluminium substrate layer. USAXS shows that the pore size and interpore spacing are fixed in the first 10 s after initiation of anodization. Pores then grow linearly in time, at constant radius and interpore spacing. Using a combination of XRR and NR, the film density and degree of hydration of the films were determined from the ratio of scattering length densities. Assuming a chemical formula Al2O3xH2O, it was found that x varies from 0.29 for the native oxide to 1.29 for AAO grown at 20 V under concurrent voltage and current control. The average AAO film density of the porous film at the air surface is 2.45 (20) g cm3. The density of the barrier layer at the metal interface is 2.9 (4) g cm3, which indicates that this layer is also quite porous« less

Multiscale Pores in TBCs for Lower Thermal Conductivity

NASA Astrophysics Data System (ADS)

Zhang, Wei-Wei; Li, Guang-Rong; Zhang, Qiang; Yang, Guan-Jun

2017-08-01

The morphology and pattern (including orientation and aspect ratio) of pores in thermal barrier coatings (TBCs) significantly affect their thermal insulation performance. In this work, finite element analysis was used to comprehensively understand the thermal insulation effect of pores and correlate the effective thermal conductivity with the structure. The results indicated that intersplat pores, and in particular their aspect ratio, dominantly affect the heat transfer in the top coat. The effective thermal conductivity decreased as a function of aspect ratio, since a larger aspect ratio often corresponds to a greater proportion of effective length of the pores. However, in conventional plasma-sprayed TBCs, intersplat pores often fail to maximize thermal insulation due to their distinct lower aspect ratios. Therefore, considering this effect of aspect ratio, a new structure design with multiscale pores is proposed and a corresponding structural model developed to correlate the thermal properties with this pore-rich structure. The predictions of the model are well consistent with experimental data. This study provides comprehensive understanding of the effect of pores on the thermal insulation performance, shedding light on the possibility of structural tailoring to obtain advanced TBCs with lower thermal conductivity.

Effects of the nucleon radius on neutron stars in a quark mean field model

NASA Astrophysics Data System (ADS)

Zhu, Zhen-Yu; Li, Ang

2018-03-01

We study the effects of free space nucleon radius on nuclear matter and neutron stars within the framework of the quark mean field model. The nucleon radius is treated self-consistently with this model, where quark confinement is adjusted to fit different values of nucleon radius. Corrections due to center-of-mass motion, quark-pion coupling, and one gluon exchange are included to obtain the nucleon mass in vacuum. The meson coupling constants that describe the behavior of the many-body nucleonic system are constructed by reproducing the empirical saturation properties of nuclear matter, including the recent determinations of symmetry energy parameters. Our results show that the nucleon radius in free space has negligible effects on the nuclear matter equation of state and neutron star mass-radius relations, which is different from the conclusion drawn in previous studies. We further explore that the sensitivity of star radius on the nucleon radius found in earlier publications is actually from the symmetry energy and its slope.

Design of tissue engineering scaffolds based on hyperbolic surfaces: structural numerical evaluation.

PubMed

Almeida, Henrique A; Bártolo, Paulo J

2014-08-01

Tissue engineering represents a new field aiming at developing biological substitutes to restore, maintain, or improve tissue functions. In this approach, scaffolds provide a temporary mechanical and vascular support for tissue regeneration while tissue in-growth is being formed. These scaffolds must be biocompatible, biodegradable, with appropriate porosity, pore structure and distribution, and optimal vascularization with both surface and structural compatibility. The challenge is to establish a proper balance between porosity and mechanical performance of scaffolds. This work investigates the use of two different types of triple periodic minimal surfaces, Schwarz and Schoen, in order to design better biomimetic scaffolds with high surface-to-volume ratio, high porosity and good mechanical properties. The mechanical behaviour of these structures is assessed through the finite element method software Abaqus. The effect of two parametric parameters (thickness and surface radius) is also evaluated regarding its porosity and mechanical behaviour. Copyright © 2014 IPEM. Published by Elsevier Ltd. All rights reserved.

Environmental and management influences on temporal variability of near saturated soil hydraulic properties.

PubMed

Bodner, G; Scholl, P; Loiskandl, W; Kaul, H-P

2013-08-01

Structural porosity is a decisive property for soil productivity and soil environmental functions. Hydraulic properties in the structural range vary over time in response to management and environmental influences. Although this is widely recognized, there are few field studies that determine dominant driving forces underlying hydraulic property dynamics. During a three year field experiment we measured temporal variability of soil hydraulic properties by tension infiltrometry. Soil properties were characterized by hydraulic conductivity, effective macroporosity and Kosugi's lognormal pore size distribution model. Management related influences comprised three soil cover treatment (mustard and rye vs. fallow) and an initial mechanical soil disturbance with a rotary harrow. Environmental driving forces were derived from meteorological and soil moisture data. Soil hydraulic parameters varied over time by around one order of magnitude. The coefficient of variation of soil hydraulic conductivity K(h) decreased from 69.5% at saturation to 42.1% in the more unsaturated range (- 10 cm pressure head). A slight increase in the Kosugi parameter showing pore heterogeneity was observed under the rye cover crop, reflecting an enhanced structural porosity. The other hydraulic parameters were not significantly influenced by the soil cover treatments. Seedbed preparation with a rotary harrow resulted in a fourfold increase in macroporosity and hydraulic conductivity next to saturation, and homogenized the pore radius distribution. Re-consolidation after mechanical loosening lasted over 18 months until the soil returned to its initial state. The post-tillage trend of soil settlement could be approximated by an exponential decay function. Among environmental factors, wetting-drying cycles were identified as dominant driving force explaining short term hydraulic property changes within the season (r 2  = 0.43 to 0.59). Our results suggested that beside considering average management induced changes in soil properties (e.g. cover crop introduction), a dynamic approach to hydrological modeling is required to capture over-seasonal (tillage driven) and short term (environmental driven) variability in hydraulic parameters.

Environmental and management influences on temporal variability of near saturated soil hydraulic properties☆

PubMed Central

Bodner, G.; Scholl, P.; Loiskandl, W.; Kaul, H.-P.

2013-01-01

Structural porosity is a decisive property for soil productivity and soil environmental functions. Hydraulic properties in the structural range vary over time in response to management and environmental influences. Although this is widely recognized, there are few field studies that determine dominant driving forces underlying hydraulic property dynamics. During a three year field experiment we measured temporal variability of soil hydraulic properties by tension infiltrometry. Soil properties were characterized by hydraulic conductivity, effective macroporosity and Kosugi's lognormal pore size distribution model. Management related influences comprised three soil cover treatment (mustard and rye vs. fallow) and an initial mechanical soil disturbance with a rotary harrow. Environmental driving forces were derived from meteorological and soil moisture data. Soil hydraulic parameters varied over time by around one order of magnitude. The coefficient of variation of soil hydraulic conductivity K(h) decreased from 69.5% at saturation to 42.1% in the more unsaturated range (− 10 cm pressure head). A slight increase in the Kosugi parameter showing pore heterogeneity was observed under the rye cover crop, reflecting an enhanced structural porosity. The other hydraulic parameters were not significantly influenced by the soil cover treatments. Seedbed preparation with a rotary harrow resulted in a fourfold increase in macroporosity and hydraulic conductivity next to saturation, and homogenized the pore radius distribution. Re-consolidation after mechanical loosening lasted over 18 months until the soil returned to its initial state. The post-tillage trend of soil settlement could be approximated by an exponential decay function. Among environmental factors, wetting-drying cycles were identified as dominant driving force explaining short term hydraulic property changes within the season (r2 = 0.43 to 0.59). Our results suggested that beside considering average management induced changes in soil properties (e.g. cover crop introduction), a dynamic approach to hydrological modeling is required to capture over-seasonal (tillage driven) and short term (environmental driven) variability in hydraulic parameters. PMID:24748683

The effect of soil on cork quality

NASA Astrophysics Data System (ADS)

Pestana, Miguel; Gomes, Alberto

2014-10-01

The present work aimed to contribute for a better knowledge regarding soil features as cork quality indicators for stoppers. Cork sampling was made in eight Cork oak stands (montados de sobreiro) located in different Plio-Plistocene sedimentary formations of Península de Setúbal and Carbonic shistes from paleozoic periods in Saw Grândola, both in southern Tagus River region The samples used to classify the cork as stopper for wine bottles were obtained in eight cork oak stands located in “Península de Setúbal”, south of the River Tagus, covering soils of different types of sandstones of the Plio-plistocene In each stand, we randomly chose five circular plots with 30 m radius. Five trees with same stripping conditions determined by the dendrometric features: HD (height stipping, PBH (perimeter at breaster height), and percentage canopy cover, trees vegetative condition (defoliation degree) stand features (density), and site conditions (soil type and orientation). In the center of each plot a pit was open to characterize the soil profile and to classify the soil of each plot sampling. Cork quality for stoppers was evaluated according to porosity, pores/per cm 2 and thickness. The soil was characterized according to morphological soil profile features (lithology, soil profound and soil horizons) and chemical soil surface horizon features (organic matter, pH, macro and micronutrients availability). Based on the variables studied and using the numerical taxonomy, we settled relationships between the cork quality and some soil features. The results indicate: (1) high correlation between the cork caliber and boron, caption exchange capacity, total nitrogen, exchange acidity and exchangeable magnesium, potassium, calcium and sodium in soils of theirs cork oaks; (2) the cork porosity is correlated with the number of pores/cm2 and magnesium; (3) the other soil features have a lower correlation with the caliber, porosity and the number of pores per cm2.

Reduction effect of surface temperature of baked bricks with different pore shapes during absorption-evaporation test

NASA Astrophysics Data System (ADS)

Oguchi, Chiaki T.; Shinozuka, Katsumi

2017-04-01

To study the effect of decreasing in surface temperature of baked bricks with various pore shapes, the present study performed several experiments such as water absorbance test and heating test. For the preparation of experimental specimens, bricks with artificial spherical pores, artificial linear pores and non-additional artificial pores were made. The bricks were examined their properties of bulk density, Equotip hardness and absorbing properties by putting in the water. Wet bricks were also put in the incubator set at 50 °C, and monitored the increasing of surface temperature of each brick. Brick with linear pores shows higher water absorption rate in a short time than those with spherical pores. They evaporated moisture faster than those with a spherical pores. They kept the temperature by 11.7 °C lower than the setting temperature, whereas the bricks with a spherical pores kept the temperature by 10.5 °C . Bricks with linear pores has about 10% higher effectiveness of decreasing in surface temperature than those with spheroidal pores.

Determination of effective droplet radius and optical depth of liquid water clouds over a tropical site in northern Thailand using passive microwave soundings, aircraft measurements and spectral irradiance data

NASA Astrophysics Data System (ADS)

Nimnuan, P.; Janjai, S.; Nunez, M.; Pratummasoot, N.; Buntoung, S.; Charuchittipan, D.; Chanyatham, T.; Chantraket, P.; Tantiplubthong, N.

2017-08-01

This paper presents an algorithm for deriving the effective droplet radius and optical depth of liquid water clouds using ground-based measurements, aircraft observations and an adiabatic model of cloud liquid water. The algorithm derives cloud effective radius and cloud optical depth over a tropical site at Omkoi (17.80°N, 98.43°E), Thailand. Monthly averages of cloud optical depth are highest in April (54.5), which is the month with the lowest average cloud effective radius (4.2 μm), both occurring before the start of the rainy season and at the end of the high contamination period. By contrast, the monsoon period extending from May to October brings higher cloud effective radius and lower cloud optical depth to the region on average. At the diurnal scale there is a gradual increase in average cloud optical depth and decrease in cloud effective radius as the day progresses.

Size effects of pore density and solute size on water osmosis through nanoporous membrane.

PubMed

Zhao, Kuiwen; Wu, Huiying

2012-11-15

Understanding the behavior of osmotic transport across nanoporous membranes at molecular level is critical to their design and applications, and it is also beneficial to the comprehension of the mechanism of biological transmembrane transport processes. Pore density is an important parameter for nanoporous membranes. To better understand the influence of pore density on osmotic transport, we have performed systematic molecular dynamics simulations on water osmosis across nanoporous membranes with different pore densities (i.e., number of pores per unit area of membrane). The simulation results reveal that significant size effects occur when the pore density is so high that the center-to-center distance between neighboring nanopores is comparable to the solute size. The size effects are independent of the pore diameter and solute concentration. A simple quantitative correlation between pore density, solute size, and osmotic flux has been established. The results are excellently consistent with the theoretical predictions. It is also shown that solute hydration plays an important role in real osmotic processes. Solute hydration strengthens the size effects of pore density on osmotic processes due to the enlarged effective solute size induced by hydration. The influence of pore density, solute size, and solute hydration on water osmosis through nanoporous membranes can be introduced to eliminate the deviations of real osmotic processes from ideal behavior.

Pore-scale simulation of wettability and interfacial tension effects on flooding process for enhanced oil recovery.

PubMed

Zhao, Jin; Wen, Dongsheng

2017-08-27

For enhanced oil recovery (EOR) applications, the oil/water flow characteristics during the flooding process was numerically investigated with the volume-of-fluid method at the pore scale. A two-dimensional pore throat-body connecting structure was established, and four scenarios were simulated in this paper. For oil-saturated pores, the wettability effect on the flooding process was studied; for oil-unsaturated pores, three effects were modelled to investigate the oil/water phase flow behaviors, namely the wettability effect, the interfacial tension (IFT) effect, and the combined wettability/IFT effect. The results show that oil saturated pores with the water-wet state can lead to 25-40% more oil recovery than with the oil-wet state, and the remaining oil mainly stays in the near wall region of the pore bodies for oil-wet saturated pores. For oil-unsaturated pores, the wettability effects on the flooding process can help oil to detach from the pore walls. By decreasing the oil/water interfacial tension and altering the wettability from oil-wet to water-wet state, the remaining oil recovery rate can be enhanced successfully. The wettability-IFT combined effect shows better EOR potential compared with decreasing the interfacial tension alone under the oil-wet condition. The simulation results in this work are consistent with previous experimental and molecular dynamics simulation conclusions. The combination effect of the IFT reducation and wettability alteration can become an important recovery mechanism in future studies for nanoparticles, surfactant, and nanoparticle-surfactant hybrid flooding process.

Pore-scale simulation of wettability and interfacial tension effects on flooding process for enhanced oil recovery

PubMed Central

Zhao, Jin

2017-01-01

For enhanced oil recovery (EOR) applications, the oil/water flow characteristics during the flooding process was numerically investigated with the volume-of-fluid method at the pore scale. A two-dimensional pore throat-body connecting structure was established, and four scenarios were simulated in this paper. For oil-saturated pores, the wettability effect on the flooding process was studied; for oil-unsaturated pores, three effects were modelled to investigate the oil/water phase flow behaviors, namely the wettability effect, the interfacial tension (IFT) effect, and the combined wettability/IFT effect. The results show that oil saturated pores with the water-wet state can lead to 25–40% more oil recovery than with the oil-wet state, and the remaining oil mainly stays in the near wall region of the pore bodies for oil-wet saturated pores. For oil-unsaturated pores, the wettability effects on the flooding process can help oil to detach from the pore walls. By decreasing the oil/water interfacial tension and altering the wettability from oil-wet to water-wet state, the remaining oil recovery rate can be enhanced successfully. The wettability-IFT combined effect shows better EOR potential compared with decreasing the interfacial tension alone under the oil-wet condition. The simulation results in this work are consistent with previous experimental and molecular dynamics simulation conclusions. The combination effect of the IFT reducation and wettability alteration can become an important recovery mechanism in future studies for nanoparticles, surfactant, and nanoparticle–surfactant hybrid flooding process. PMID:29308190

Morphology and linear-elastic moduli of random network solids.

PubMed

Nachtrab, Susan; Kapfer, Sebastian C; Arns, Christoph H; Madadi, Mahyar; Mecke, Klaus; Schröder-Turk, Gerd E

2011-06-17

The effective linear-elastic moduli of disordered network solids are analyzed by voxel-based finite element calculations. We analyze network solids given by Poisson-Voronoi processes and by the structure of collagen fiber networks imaged by confocal microscopy. The solid volume fraction ϕ is varied by adjusting the fiber radius, while keeping the structural mesh or pore size of the underlying network fixed. For intermediate ϕ, the bulk and shear modulus are approximated by empirical power-laws K(phi)proptophin and G(phi)proptophim with n≈1.4 and m≈1.7. The exponents for the collagen and the Poisson-Voronoi network solids are similar, and are close to the values n=1.22 and m=2.11 found in a previous voxel-based finite element study of Poisson-Voronoi systems with different boundary conditions. However, the exponents of these empirical power-laws are at odds with the analytic values of n=1 and m=2, valid for low-density cellular structures in the limit of thin beams. We propose a functional form for K(ϕ) that models the cross-over from a power-law at low densities to a porous solid at high densities; a fit of the data to this functional form yields the asymptotic exponent n≈1.00, as expected. Further, both the intensity of the Poisson-Voronoi process and the collagen concentration in the samples, both of which alter the typical pore or mesh size, affect the effective moduli only by the resulting change of the solid volume fraction. These findings suggest that a network solid with the structure of the collagen networks can be modeled in quantitative agreement by a Poisson-Voronoi process. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tight ceramic UF membrane as RO pre-treatment: the role of electrostatic interactions on phosphate rejection.

PubMed

Shang, Ran; Verliefde, Arne R D; Hu, Jingyi; Zeng, Zheyi; Lu, Jie; Kemperman, Antoine J B; Deng, Huiping; Nijmeijer, Kitty; Heijman, Sebastiaan G J; Rietveld, Luuk C

2014-01-01

Phosphate limitation has been reported as an effective approach to inhibit biofouling in reverse osmosis (RO) systems for water purification. The rejection of dissolved phosphate by negatively charged TiO2 tight ultrafiltration (UF) membranes (1 kDa and 3 kDa) was observed. These membranes can potentially be adopted as an effective process for RO pre-treatment in order to constrain biofouling by phosphate limitation. This paper focuses on electrostatic interactions during tight UF filtration. Despite the larger pore size, the 3 kDa ceramic membrane exhibited greater phosphate rejection than the 1 kDa membrane, because the 3 kDa membrane has a greater negative surface charge and thus greater electrostatic repulsion against phosphate. The increase of pH from 6 to 8.5 led to a substantial increase in phosphate rejection by both membranes due to increased electrostatic repulsion. At pH 8.5, the maximum phosphate rejections achieved by the 1 kDa and 3 kDa membrane were 75% and 86%, respectively. A Debye ratio (ratio of the Debye length to the pore radius) is introduced in order to evaluate double layer overlapping in tight UF membranes. Threshold Debye ratios were determined as 2 and 1 for the 1 kDa and 3 kDa membranes, respectively. A Debye ratio below the threshold Debye ratio leads to dramatically decreased phosphate rejection by tight UF membranes. The phosphate rejection by the tight UF, in combination with chemical phosphate removal by coagulation, might accomplish phosphate-limited conditions for biological growth and thus prevent biofouling in the RO systems. Copyright © 2013 Elsevier Ltd. All rights reserved.

pH controlled gating of toxic protein pores by dendrimers

NASA Astrophysics Data System (ADS)

Mandal, Taraknath; Kanchi, Subbarao; Ayappa, K. G.; Maiti, Prabal K.

2016-06-01

Designing effective nanoscale blockers for membrane inserted pores formed by pore forming toxins, which are expressed by several virulent bacterial strains, on a target cell membrane is a challenging and active area of research. Here we demonstrate that PAMAM dendrimers can act as effective pH controlled gating devices once the pore has been formed. We have used fully atomistic molecular dynamics (MD) simulations to characterize the cytolysin A (ClyA) protein pores modified with fifth generation (G5) PAMAM dendrimers. Our results show that the PAMAM dendrimer, in either its protonated (P) or non-protonated (NP) states can spontaneously enter the protein lumen. Protonated dendrimers interact strongly with the negatively charged protein pore lumen. As a consequence, P dendrimers assume a more expanded configuration efficiently blocking the pore when compared with the more compact configuration adopted by the neutral NP dendrimers creating a greater void space for the passage of water and ions. To quantify the effective blockage of the protein pore, we have calculated the pore conductance as well as the residence times by applying a weak force on the ions/water. Ionic currents are reduced by 91% for the P dendrimers and 31% for the NP dendrimers. The preferential binding of Cl- counter ions to the P dendrimer creates a zone of high Cl- concentration in the vicinity of the internalized dendrimer and a high concentration of K+ ions in the transmembrane region of the pore lumen. In addition to steric effects, this induced charge segregation for the P dendrimer effectively blocks ionic transport through the pore. Our investigation shows that the bio-compatible PAMAM dendrimers can potentially be used to develop therapeutic protocols based on the pH sensitive gating of pores formed by pore forming toxins to mitigate bacterial infections.Designing effective nanoscale blockers for membrane inserted pores formed by pore forming toxins, which are expressed by several virulent bacterial strains, on a target cell membrane is a challenging and active area of research. Here we demonstrate that PAMAM dendrimers can act as effective pH controlled gating devices once the pore has been formed. We have used fully atomistic molecular dynamics (MD) simulations to characterize the cytolysin A (ClyA) protein pores modified with fifth generation (G5) PAMAM dendrimers. Our results show that the PAMAM dendrimer, in either its protonated (P) or non-protonated (NP) states can spontaneously enter the protein lumen. Protonated dendrimers interact strongly with the negatively charged protein pore lumen. As a consequence, P dendrimers assume a more expanded configuration efficiently blocking the pore when compared with the more compact configuration adopted by the neutral NP dendrimers creating a greater void space for the passage of water and ions. To quantify the effective blockage of the protein pore, we have calculated the pore conductance as well as the residence times by applying a weak force on the ions/water. Ionic currents are reduced by 91% for the P dendrimers and 31% for the NP dendrimers. The preferential binding of Cl- counter ions to the P dendrimer creates a zone of high Cl- concentration in the vicinity of the internalized dendrimer and a high concentration of K+ ions in the transmembrane region of the pore lumen. In addition to steric effects, this induced charge segregation for the P dendrimer effectively blocks ionic transport through the pore. Our investigation shows that the bio-compatible PAMAM dendrimers can potentially be used to develop therapeutic protocols based on the pH sensitive gating of pores formed by pore forming toxins to mitigate bacterial infections. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr02963a

An iterative algorithm for calculating stylus radius unambiguously

NASA Astrophysics Data System (ADS)

Vorburger, T. V.; Zheng, A.; Renegar, T. B.; Song, J.-F.; Ma, L.

2011-08-01

The stylus radius is an important specification for stylus instruments and is commonly provided by instrument manufacturers. However, it is difficult to measure the stylus radius unambiguously. Accurate profiles of the stylus tip may be obtained by profiling over an object sharper than itself, such as a razor blade. However, the stylus profile thus obtained is a partial arc, and unless the shape of the stylus tip is a perfect sphere or circle, the effective value of the radius depends on the length of the tip profile over which the radius is determined. We have developed an iterative, least squares algorithm aimed to determine the effective least squares stylus radius unambiguously. So far, the algorithm converges to reasonable results for the least squares stylus radius. We suggest that the algorithm be considered for adoption in documentary standards describing the properties of stylus instruments.

2D Simulations of Earthquake Cycles at a Subduction Zone Based on a Rate and State Friction Law -Effects of Pore Fluid Pressure Changes-

NASA Astrophysics Data System (ADS)

Mitsui, Y.; Hirahara, K.

2006-12-01

There have been a lot of studies that simulate large earthquakes occurring quasi-periodically at a subduction zone, based on the laboratory-derived rate-and-state friction law [eg. Kato and Hirasawa (1997), Hirose and Hirahara (2002)]. All of them assume that pore fluid pressure in the fault zone is constant. However, in the fault zone, pore fluid pressure changes suddenly, due to coseismic pore dilatation [Marone (1990)] and thermal pressurization [Mase and Smith (1987)]. If pore fluid pressure drops and effective normal stress rises, fault slip is decelerated. Inversely, if pore fluid pressure rises and effective normal stress drops, fault slip is accelerated. The effect of pore fluid may cause slow slip events and low-frequency tremor [Kodaira et al. (2004), Shelly et al. (2006)]. For a simple spring model, how pore dilatation affects slip instability was investigated [Segall and Rice (1995), Sleep (1995)]. When the rate of the slip becomes high, pore dilatation occurs and pore pressure drops, and the rate of the slip is restrained. Then the inflow of pore fluid recovers the pore pressure. We execute 2D earthquake cycle simulations at a subduction zone, taking into account such changes of pore fluid pressure following Segall and Rice (1995), in addition to the numerical scheme in Kato and Hirasawa (1997). We do not adopt hydrostatic pore pressure but excess pore pressure for initial condition, because upflow of dehydrated water seems to exist at a subduction zone. In our model, pore fluid is confined to the fault damage zone and flows along the plate interface. The smaller the flow rate is, the later pore pressure recovers. Since effective normal stress keeps larger, the fault slip is decelerated and stress drop becomes smaller. Therefore the smaller flow rate along the fault zone leads to the shorter earthquake recurrence time. Thus, not only the frictional parameters and the subduction rate but also the fault zone permeability affects the recurrence time of earthquake cycle. Further, the existence of heterogeneity in the permeability along the plate interface can bring about other slip behaviors, such as slow slip events. Our simulations indicate that, in addition to the frictional parameters, the permeability within the fault damage zone is one of essential parameters, which controls the whole earthquake cycle.

An investigation into the effects of pore connectivity on T2 NMR relaxation

NASA Astrophysics Data System (ADS)

Ghomeshi, Shahin; Kryuchkov, Sergey; Kantzas, Apostolos

2018-04-01

Nuclear Magnetic Resonance (NMR) is a powerful technique used to characterize fluids and flow in porous media. The NMR relaxation curves are closely related to pore geometry, and the inversion of the NMR relaxometry data is known to give useful information with regards to pore size distribution (PSD) through the relative amplitudes of the fluids stored in the small and large pores. While this information is crucial, the main challenge for the successful use of the NMR measurements is the proper interpretation of the measured signals. Natural porous media patterns consist of complex pore structures with many interconnected or "coupled" regions, as well as isolated pores. This connectivity along the throats changes the relaxation distribution and in order to properly interpret this data, a thorough understanding of the effects of pore connectivity on the NMR relaxation distribution is warranted. In this paper we address two main points. The first pertains to the fact that there is a discrepancy between the relaxation distribution obtained from experiments, and the ones obtained from solving the mathematical models of diffusion process in the digitized images of the pore space. There are several reasons that may attribute to this such as the lack of a proper incorporation of surface roughness into the model. However, here we are more interested in the effects of pore connectivity and to understand why the typical NMR relaxation distribution obtained from experiments are wider, while the numerical simulations predict that a wider NMR relaxation distribution may indicate poor connectivity. Secondly, by not taking into account the pore coupling effects, from our experience in interpreting the data, we tend to underestimate the pore volume of small pores and overestimate the amplitudes in the large pores. The role of pore coupling becomes even more prominent in rocks with small pore sizes such as for example in shales, clay in sandstones, and in the microstructures of carbonates.

Bone microarchitecture and estimated bone strength in men with active acromegaly.

PubMed

Silva, Paula P B; Amlashi, Fatemeh G; Yu, Elaine W; Pulaski-Liebert, Karen J; Gerweck, Anu V; Fazeli, Pouneh K; Lawson, Elizabeth; Nachtigall, Lisa B; Biller, Beverly M K; Miller, Karen K; Klibanski, Anne; Bouxsein, Mary; Tritos, Nicholas A

2017-11-01

Both acromegaly and adult growth hormone deficiency (GHD) are associated with increased fracture risk. Sufficient data are lacking regarding cortical bone microarchitecture and bone strength, as assessed by microfinite element analysis (µFEA). To elucidate both cortical and trabecular bone microarchitecture and estimated bone strength in men with active acromegaly or GHD compared to healthy controls. Cross-sectional study at a clinical research center, including 48 men (16 with acromegaly, 16 with GHD and 16 healthy controls). Areal bone mineral density (aBMD), cortical and trabecular bone microarchitecture and estimated bone strength (µFEA) at the radius and tibia. aBMD was not different between the 3 groups at any skeletal site. At the radius, patients with acromegaly had greater cortical area ( P  < 0.0001), cortical thickness ( P  = 0.0038), cortical pore volume ( P  < 0.0001) and cortical porosity ( P  = 0.0008), but lower trabecular bone density ( P  = 0.0010) compared to controls. At the tibia, patients with acromegaly had lower trabecular bone density ( P  = 0.0082), but no differences in cortical bone microstructure. Compressive strength and failure load did not significantly differ between groups. These findings persisted after excluding patients with hypogonadism. Bone microarchitecture was not deficient in patients with GHD. Both cortical and trabecular microarchitecture are altered in men with acromegaly. Our data indicate that GH excess is associated with distinct effects in cortical vs trabecular bone compartments. Our observations also affirm the limitations of aBMD testing in the evaluation of patients with acromegaly. © 2017 European Society of Endocrinology.

Surge dynamics coupled to pore-pressure evolution in debris flows

USGS Publications Warehouse

Savage, S.B.; Iverson, R.M.; ,

2003-01-01

Temporally and spatially varying pore-fluid pressures exert strong controls on debris-flow motion by mediating internal and basal friction at grain contacts. We analyze these effects by deriving a one-dimensional model of pore-pressure diffusion explicitly coupled to changes in debris-flow thickness. The new pore-pressure equation is combined with Iverson's (1997) extension of the depth-averaged Savage-Hutter (1989, 1991) granular avalanche equations to predict motion of unsteady debris-flow surges with evolving pore-pressure distributions. Computational results illustrate the profound effects of pore-pressure diffusivities on debris-flow surge depths and velocities. ?? 2003 Millpress,.

Modelling the hydraulic conductivity of porous media using physical-statistical model

NASA Astrophysics Data System (ADS)

Usowicz, B.; Usowicz, L. B.; Lipiec, J.

2009-04-01

Soils and other porous media can be represented by a pattern (net) of more or less cylindrically interconnected channels. The capillary radius, r can represent an elementary capillary formed in between soil particles in one case, and in another case it can represent a mean hydrodynamic radius. When we view a porous medium as a net of interconnected capillaries, we can apply a statistical approach for the description of the liquid or gas flow. A soil phase is included in the porous medium and its configuration is decisive for pore distribution in this medium and hence, it conditions the course of the water retention curve of this medium. In this work method of estimating hydraulic conductivity of porous media based on physical-statistical model proposed by B. Usowicz is presented. The physical-statistical model considers the pore space as the capillary net. The net of capillary connections is represented by parallel and serial connections of hydraulic resistors in the layer and between the layers, respectively. The polynomial distribution was used in this model to determine probability of the occurrence of a given capillary configuration. The model was calibrated using measured water retention curve and two values of hydraulic conductivity saturated and unsaturated and model parameters were determined. The model was used for predicting hydraulic conductivity as a function of soil water content K(theta). The model was validated by comparing the measured and predicted K data for various soils and other porous media (e.g. sandstone). A good agreement between measured and predicted data was reasonable as indicated by values R2 (>0.9). It was also confirmed that the random variables used for the calculations and model parameters were chosen and selected correctly. The study was funded in part by the Polish Ministry of Science and Higher Education by Grant No. N305 046 31/1707).

Immersion Refractometry of Isolated Bacterial Cell Walls

PubMed Central

Marquis, Robert E.

1973-01-01

Immersion-refractometric and light-scattering measurements were adapted to determinations of average refractive indices and physical compactness of isolated bacterial cell walls. The structures were immersed in solutions containing various concentrations of polymer molecules that cannot penetrate into wall pores, and then an estimate was made of the polymer concentration or the refractive index of the polymer solution in which light scattering was reduced to zero. Because each wall preparation was heterogeneous, the refractive index of the medium for zero light scattering had to be estimated by extrapolation. Refractive indices for walls suspended in bovine serum albumin solutions ranged from 1.348 for walls of the rod form of Arthrobacter crystallopoietes to 1.382 for walls of the teichoic acid deficient, 52A5 strain of Staphylococcus aureus. These indices were used to calculate approximate values for solids content per milliliter, and the calculated values agreed closely with those estimated from a knowledge of dextran-impermeable volumes per gram, dry weight, of the walls. When large molecules such as dextrans or serum albumin were used for immersion refractometry, the refractive indices obtained were for entire walls, including both wall polymers and wall water. When smaller molecules that can penetrate wall pores to various extents were used with Micrococcus lysodeikticus walls, the average, apparent refractive index of the structures increased as the molecular size of probing molecules was decreased. It was possible to obtain an estimate of 1.45 to 1.46 for the refractive index of wall polymers, predominantly peptidoglycans in this case, by extrapolating the curve for refractive index versus molecular radius to a value of 0.2 nm, the approximate radius of a water molecule. This relatively low value for polymer refractive index was interpreted as evidence in favor of the amorphous, elastic model of peptidoglycan structure and against the crystalline, rigid model. PMID:4201772

Multiscale modeling of a rectifying bipolar nanopore: Comparing Poisson-Nernst-Planck to Monte Carlo

NASA Astrophysics Data System (ADS)

Matejczyk, Bartłomiej; Valiskó, Mónika; Wolfram, Marie-Therese; Pietschmann, Jan-Frederik; Boda, Dezső

2017-03-01

In the framework of a multiscale modeling approach, we present a systematic study of a bipolar rectifying nanopore using a continuum and a particle simulation method. The common ground in the two methods is the application of the Nernst-Planck (NP) equation to compute ion transport in the framework of the implicit-water electrolyte model. The difference is that the Poisson-Boltzmann theory is used in the Poisson-Nernst-Planck (PNP) approach, while the Local Equilibrium Monte Carlo (LEMC) method is used in the particle simulation approach (NP+LEMC) to relate the concentration profile to the electrochemical potential profile. Since we consider a bipolar pore which is short and narrow, we perform simulations using two-dimensional PNP. In addition, results of a non-linear version of PNP that takes crowding of ions into account are shown. We observe that the mean field approximation applied in PNP is appropriate to reproduce the basic behavior of the bipolar nanopore (e.g., rectification) for varying parameters of the system (voltage, surface charge, electrolyte concentration, and pore radius). We present current data that characterize the nanopore's behavior as a device, as well as concentration, electrical potential, and electrochemical potential profiles.

Multiscale modeling of a rectifying bipolar nanopore: Comparing Poisson-Nernst-Planck to Monte Carlo.

PubMed

Matejczyk, Bartłomiej; Valiskó, Mónika; Wolfram, Marie-Therese; Pietschmann, Jan-Frederik; Boda, Dezső

2017-03-28

In the framework of a multiscale modeling approach, we present a systematic study of a bipolar rectifying nanopore using a continuum and a particle simulation method. The common ground in the two methods is the application of the Nernst-Planck (NP) equation to compute ion transport in the framework of the implicit-water electrolytemodel. The difference is that the Poisson-Boltzmann theory is used in the Poisson-Nernst-Planck (PNP) approach, while the Local Equilibrium Monte Carlo (LEMC) method is used in the particle simulation approach (NP+LEMC) to relate the concentration profile to the electrochemical potential profile. Since we consider a bipolar pore which is short and narrow, we perform simulations using two-dimensional PNP. In addition, results of a non-linear version of PNP that takes crowding of ions into account are shown. We observe that the mean field approximation applied in PNP is appropriate to reproduce the basic behavior of the bipolar nanopore (e.g., rectification) for varying parameters of the system (voltage, surface charge,electrolyte concentration, and pore radius). We present current data that characterize the nanopore's behavior as a device, as well as concentration, electrical potential, and electrochemical potential profiles.

Entropic trapping of macromolecules by mesoscopic periodic voids in a polymer hydrogel

NASA Astrophysics Data System (ADS)

Liu, Lei; Li, Pusheng; Asher, Sanford A.

1999-01-01

The separation of macromolecules such as polymers and DNA by means of electrophoresis, gel permeation chromatography or filtration exploits size-dependent differences in the time it takes for the molecules to migrate through a random porous network. Transport through the gel matrices, which usually consist of full swollen crosslinked polymers, depends on the relative size of the macromolecule compared with the pore radius. Sufficiently small molecules are thought to adopt an approximately spherical conformation when diffusing through the gel matrix, whereas larger ones are forced to migrate in a snake-like fashion. Molecules of intermediate size, however, can get temporarily trapped in the largest pores of the matrix, where the molecule can extend and thus maximize its conformational entropy. This `entropic trapping' is thought to increase the dependence of diffusion rate on molecular size. Here we report the direct experimental verification of this phenomenon. Bragg diffraction from a hydrogel containing a periodic array of monodisperse water voids confirms that polymers of different weights partition between the hydrogel matrix and the water voids according to the predictions of the entropic trapping theory. Our approach might also lead to the design of improved separation media based on entropic trapping.

Ultralow-k nanoporous organosilicate dielectric films imprinted with dendritic spheres.

PubMed

Lee, Byeongdu; Park, Young-Hee; Hwang, Yong-Taek; Oh, Weontae; Yoon, Jinhwan; Ree, Moonhor

2005-02-01

Integrated circuits that have improved functionality and speed in a smaller package and that consume less power are desired by the microelectronics industry as well as by end users, to increase device performance and reduce costs. The fabrication of high-performance integrated circuits requires the availability of materials with low or ultralow dielectric constant (low-k: k

Effects of Pore Distributions on Ductility of Thin-Walled High Pressure Die-Cast Magnesium

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

Choi, Kyoo Sil; Li, Dongsheng; Sun, Xin

2013-06-01

In this paper, a microstructure-based three-dimensional (3D) finite element modeling method is adopted to investigate the effects of porosity in thin-walled high pressure die-cast (HPDC) Magnesium alloys on their ductility. For this purpose, the cross-sections of AM60 casting samples are first examined using optical microscope and X-ray tomography to obtain the general information on the pore distribution features. The experimentally observed pore distribution features are then used to generate a series of synthetic microstructure-based 3D finite element models with different pore volume fractions and pore distribution features. Shear and ductile damage models are adopted in the finite element analyses tomore » induce the fracture by element removal, leading to the prediction of ductility. The results in this study show that the ductility monotonically decreases as the pore volume fraction increases and that the effect of ‘skin region’ on the ductility is noticeable under the condition of same local pore volume fraction in the center region of the sample and its existence can be beneficial for the improvement of ductility. The further synthetic microstructure-based 3D finite element analyses are planned to investigate the effects of pore size and pore size distribution.« less

Poly(amidoamine) dendrimers on lipid bilayers II: Effects of bilayer phase and dendrimer termination.

PubMed

Kelly, Christopher V; Leroueil, Pascale R; Orr, Bradford G; Banaszak Holl, Mark M; Andricioaei, Ioan

2008-08-07

The molecular structures and enthalpy release of poly(amidoamine) (PAMAM) dendrimers binding to 1,2-dimyristoyl- sn-glycero-3-phosphocholine (DMPC) bilayers were explored through atomistic molecular dynamics. Three PAMAM dendrimer terminations were examined: protonated primary amine, neutral acetamide, and deprotonated carboxylic acid. Fluid and gel lipid phases were examined to extract the effects of lipid tail mobility on the binding of generation-3 dendrimers, which are directly relevant to the nanoparticle interactions involving lipid rafts, endocytosis, lipid removal, and/or membrane pores. Upon binding to gel phase lipids, dendrimers remained spherical, had a constant radius of gyration, and approximately one-quarter of the terminal groups were in close proximity to the lipids. In contrast, upon binding to fluid phase bilayers, dendrimers flattened out with a large increase in their asphericity and radii of gyration. Although over twice as many dendrimer-lipid contacts were formed on fluid versus gel phase lipids, the dendrimer-lipid interaction energy was only 20% stronger. The greatest enthalpy release upon binding was between the charged dendrimers and the lipid bilayer. However, the stronger binding to fluid versus gel phase lipids was driven by the hydrophobic interactions between the inner dendrimer and lipid tails.

Characterizing the surface charge of synthetic nanomembranes by the streaming potential method

PubMed Central

Datta, Subhra; Conlisk, A. T.; Kanani, Dharmesh M.; Zydney, Andrew L.; Fissell, William H.; Roy, Shuvo

2010-01-01

The inference of the surface charge of polyethylene glycol (PEG)-coated and uncoated silicon membranes with nanoscale pore sizes from streaming potential measurements in the presence of finite electric double layer (EDL) effects is studied theoretically and experimentally. The developed theoretical model for inferring the pore wall surface charge density from streaming potential measurements is applicable to arbitrary pore cross-sectional shapes and accounts for the effect of finite salt concentration on the ionic mobilities and the thickness of the deposited layer of PEG. Theoretical interpretation of the streaming potential data collected from silicon membranes having nanoscale pore sizes, with/without pore wall surface modification with PEG, indicates that finite electric double layer (EDL) effects in the pore-confined electrolyte significantly affect the interpretation of the membrane charge and that surface modification with PEG leads to a reduction in the pore wall surface charge density. The theoretical model is also used to study the relative significance of the following uniquely nanoscale factors affecting the interpretation of streaming potential in moderate to strongly charged pores: altered net charge convection by applied pressure differentials, surface-charge effects on ionic conduction, and electroosmotic convection of charges. PMID:20462592

Effective pore-scale dispersion upscaling with a correlated continuous time random walk approach

NASA Astrophysics Data System (ADS)

Le Borgne, T.; Bolster, D.; Dentz, M.; de Anna, P.; Tartakovsky, A.

2011-12-01

We investigate the upscaling of dispersion from a pore-scale analysis of Lagrangian velocities. A key challenge in the upscaling procedure is to relate the temporal evolution of spreading to the pore-scale velocity field properties. We test the hypothesis that one can represent Lagrangian velocities at the pore scale as a Markov process in space. The resulting effective transport model is a continuous time random walk (CTRW) characterized by a correlated random time increment, here denoted as correlated CTRW. We consider a simplified sinusoidal wavy channel model as well as a more complex heterogeneous pore space. For both systems, the predictions of the correlated CTRW model, with parameters defined from the velocity field properties (both distribution and correlation), are found to be in good agreement with results from direct pore-scale simulations over preasymptotic and asymptotic times. In this framework, the nontrivial dependence of dispersion on the pore boundary fluctuations is shown to be related to the competition between distribution and correlation effects. In particular, explicit inclusion of spatial velocity correlation in the effective CTRW model is found to be important to represent incomplete mixing in the pore throats.

Reynolds Number Effects on Leading Edge Radius Variations of a Supersonic Transport at Transonic Conditions

NASA Technical Reports Server (NTRS)

Rivers, S. M. B.; Wahls, R. A.; Owens, L. R.

2001-01-01

A computational study focused on leading-edge radius effects and associated Reynolds number sensitivity for a High Speed Civil Transport configuration at transonic conditions was conducted as part of NASA's High Speed Research Program. The primary purposes were to assess the capabilities of computational fluid dynamics to predict Reynolds number effects for a range of leading-edge radius distributions on a second-generation supersonic transport configuration, and to evaluate the potential performance benefits of each at the transonic cruise condition. Five leading-edge radius distributions are described, and the potential performance benefit including the Reynolds number sensitivity for each is presented. Computational results for two leading-edge radius distributions are compared with experimental results acquired in the National Transonic Facility over a broad Reynolds number range.

The effect of scaffold pore size in cartilage tissue engineering.

PubMed

Nava, Michele M; Draghi, Lorenza; Giordano, Carmen; Pietrabissa, Riccardo

2016-07-26

The effect of scaffold pore size and interconnectivity is undoubtedly a crucial factor for most tissue engineering applications. The aim of this study was to examine the effect of pore size and porosity on cartilage construct development in different scaffolds seeded with articular chondrocytes. We fabricated poly-L-lactide-co-trimethylene carbonate scaffolds with different pore sizes, using a solvent-casting/particulate-leaching technique. We seeded primary bovine articular chondrocytes on these scaffolds, cultured the constructs for 2 weeks and examined cell proliferation, viability and cell-specific production of cartilaginous extracellular matrix proteins, including GAG and collagen. Cell density significantly increased up to 50% with scaffold pore size and porosity, likely facilitated by cell spreading on the internal surface of bigger pores, and by increased mass transport of gases and nutrients to cells, and catabolite removal from cells, allowed by lower diffusion barriers in scaffolds with a higher porosity. However, both the cell metabolic activity and the synthesis of cartilaginous matrix proteins significantly decreased by up to 40% with pore size. We propose that the association of smaller pore diameters, causing 3-dimensional cell aggregation, to a lower oxygenation caused by a lower porosity, could have been the condition that increased the cell-specific synthesis of cartilaginous matrix proteins in the scaffold with the smallest pores and the lowest porosity among those tested. In the initial steps of in vitro cartilage engineering, the combination of small scaffold pores and low porosity is an effective strategy with regard to the promotion of chondrogenesis.

Differences in liquid cloud droplet effective radius and number concentration estimates between MODIS Collections 5.1 and 6 over global oceans.

PubMed

Rausch, John; Meyer, Kerry; Bennartz, Ralf; Platnick, Steven

2017-01-01

Differences in cloud droplet effective radius and cloud droplet number concentration (CDNC) estimates inferred from the Aqua MODIS Collections 5.1 and 6 cloud products (MYD06) are examined for warm clouds over global oceans for the year 2008. Individual pixel level retrievals for both collections are aggregated to 1° × 1° and compared globally and regionally for the three main spectral channel pairs used for MODIS cloud optical property retrievals. Comparisons between both collections are performed for cases in which all three effective radii retrievals are classified by the MODIS Cloud Product as valid. The contribution to the observed differences of several key MYD06 Collection 6 algorithm updates are also explored, with a focus on changes to the surface reflectance model, assumed solar irradiance, above cloud emission, cloud top pressure, and pixel registration. Global results show a neutral to positive (> 50 cm -3 ) change for C6-derived CDNC relative to C5.1 for the 1.6 µm and 2.1 µm channel retrievals, corresponding to a neutral to -2 µm difference in droplet effective radius. For 3.7 µm retrievals, CDNC results show a negative change in the tropics, with differences transitioning toward positive values with increasing latitude spanning -25 to +50 cm -3 related to a +2.5 to -1 µm transition in effective radius. Cloud optical thickness differences were small relative to effective radius, and found to not significantly impact CDNC estimates. Regionally, the magnitude and behavior of the annual CDNC cycle are compared for each effective radius retrieval. Results from this study indicate significant intercollection differences in aggregated values of effective radius due to changes to the pre-computed retrieval lookup tables for ocean scenes, changes to retrieved cloud top pressure, solar irradiance, or above cloud thermal emission, depending upon spectral channel. The observed differences between collections may have implications for existing MODIS derived climatologies and validation studies of effective radius and CDNC.

Adsorption and Wetting in Model Mesoporous Silicas and in Complex Metal Oxide Catalysts

NASA Astrophysics Data System (ADS)

Jayaraman, Karthik

The surface of most metal oxides is covered by hydroxyl groups which influence many surface phenomena such as adsorption and wetting, catalysis and surface reactions. Surface chemistry of silica is a subject of exhaustive studies owing to a wide variety of practical applications of silica. In Chapter 1, a brief review of classification, synthesis and characterization of silica is provided. The hydroxylation of silica surface i.e the number of hydroxyl (-OH) groups on the surface is of utmost importance for its practical applications. In Chapter 2, a brief introduction to surface hydration of silica is provided followed by the gas adsorption measurements and characterization. Pore wetting is critical to many applications of mesoporous adsorbents, catalysts, and separation materials. In the work presented in Chapter 3, we employed the combined vapor adsorption study using nitrogen (77K) and water (293K) isotherms to evaluate the water contact angles for a series of ordered mesoporous silicas (ex:SBA-15). The proposed method of contact angle relies on the statistical film thickness (t-curve) of the adsorbed water. There were no t-curves for water for dehydroxylated or hydrophobic surfaces in literature and we addressed this issue by measuring t-curves for a series of model surfaces with known and varying silanol coverage. Using the radius of menisci ((H2O)), statistical film thickness t(H2O) from water isotherm, and the true radius of pores (rp(N 2)), from nitrogen isotherms, the water contact angle inside pores were calculated. As it was anticipated, the results obtained showed that the silica pore contact angles were strongly influenced by the number of the surface silanol groups and, therefore, by the thermal and hydration treatments of silicas. Phthalocyanines (Pcs) present an interesting class of catalytically active of molecules with unique spectroscopic, photoelectric, and sometimes magnetic properties. In the work presented in Chapter 4, we have undertaken a systematic study to explore the possibility of preparing a supported catalyst material i.e loading fluorinated metal phthalocyanines onto metal oxide surfaces by two other techniques in addition to solution adsorption. Techniques or procedures that have been used to immobilize MPcs include: i) physical adsorption (from solution) onto metal oxide surface, ii) deposition by pore filling and encapsulation and iii) mesopore entrapment or confinement. The MPcs are loaded on to metal oxides with an aim to: a) maximize the surface area of the Pcs by distributing it over the support, b) immobilize the Pcs so that they do not leach into the solution environment, c) improve the thermal stability of the Pcs and d) attempt to achieve single-site catalysis. All the immobilization techniques were carried out with F64PcZn as the model MPc, acetone as the immobilization solvent and silica or alumina as adsorbents (solid support). An understanding of gas adsorption mechanisms on metal phthalocyanines (MPcs) is essential for their practical application in biological processes, gas sensing, and catalysis. In this work, the surface characteristics were probed by performing nitrogen and water adsorption on the free-form MPcs (without immobilization on solid support) and characterization of their physical properties. The combined vapor adsorption study (developed in Chapter 3) enabled in understanding the affinity of Pcs towards water vapor i.e number of water molecules adsorbed per phthalocyanine molecule was obtained. This information is very relevant towards using Pcs as catalyst since water vapor is guaranteed to be present in most of the catalytic reaction environment.

Modelling Transcapillary Transport of Fluid and Proteins in Hemodialysis Patients

PubMed Central

Pietribiasi, Mauro; Waniewski, Jacek; Załuska, Alicja; Załuska, Wojciech; Lindholm, Bengt

2016-01-01

Background The kinetics of protein transport to and from the vascular compartment play a major role in the determination of fluid balance and plasma refilling during hemodialysis (HD) sessions. In this study we propose a whole-body mathematical model describing water and protein shifts across the capillary membrane during HD and compare its output to clinical data while evaluating the impact of choosing specific values for selected parameters. Methods The model follows a two-compartment structure (vascular and interstitial space) and is based on balance equations of protein mass and water volume in each compartment. The capillary membrane was described according to the three-pore theory. Two transport parameters, the fractional contribution of large pores (αLP) and the total hydraulic conductivity (LpS) of the capillary membrane, were estimated from patient data. Changes in the intensity and direction of individual fluid and solute flows through each part of the transport system were analyzed in relation to the choice of different values of small pores radius and fractional conductivity, lymphatic sensitivity to hydraulic pressure, and steady-state interstitial-to-plasma protein concentration ratio. Results The estimated values of LpS and αLP were respectively 10.0 ± 8.4 mL/min/mmHg (mean ± standard deviation) and 0.062 ± 0.041. The model was able to predict with good accuracy the profiles of plasma volume and serum total protein concentration in most of the patients (average root-mean-square deviation < 2% of the measured value). Conclusions The applied model provides a mechanistic interpretation of fluid transport processes induced by ultrafiltration during HD, using a minimum of tuned parameters and assumptions. The simulated values of individual flows through each kind of pore and lymphatic absorption rate yielded by the model may suggest answers to unsolved questions on the relative impact of these not-measurable quantities on total vascular refilling and fluid balance. PMID:27483369

Reactive multiphase flow at the pore-scale: the melting of a crystalline framework during the injection of buoyant hot volatiles

NASA Astrophysics Data System (ADS)

Andrea, P.; Huber, C.; Bachmann, O.; Chopard, B.

2010-12-01

Multiphase reactive flows occur naturally in various environments in the shallow subsurface, e.g. CO2 injections in saturated reservoirs, exsolved methane flux in shallow sediments and H20-CO2 volatiles in magmatic systems. Because of their multiphase nature together with the nonlinear feedbacks between reactions (dissolution/melting or precipitation) and the flow field at the pore-scale, the study of these dynamical processes remains a great challenge. In this study we focus on the injection of buoyant hot volatiles exsolved from a magmatic intrusion underplating a crystal-rich magma (porous medium). We use some simple theoretical models and a pore-scale multiphase reactive lattice Boltzmann model to investigate how the heat carried by the volatile phase affects the evolution of the porous medium spatially and temporally. We find that when the reaction rate is relatively slow and when the injection rate of volatiles is large (high injection Capillary number), the dissolution of the porous medium can be described by a local Peclet number (ratio of advective to diffusive flux of heat/reactant in the main gas channel). When the injection rate of volatile is reduced, or when the reaction rate is large, the dynamics transition to more complex regimes, where subvertical gas channels are no longer stable and can break into disconnected gas slugs. For the case of the injection of hot volatiles in crystal-rich magmatic systems, we find that the excess enthalpy advected by buoyant volatiles penetrates the porous medium over distances ~r Pe, where r is the average radius of the volatile channel (~pore size). The transport of heat by buoyant gases through a crystal mush is therefore in most cases limited to distances < meters. Our results also suggest that buoyant volatiles can carry chemical species (Li,F, Cl) far into a mush as their corresponding local Peclet number is several orders of magnitude greater than that for heat, owing to their low diffusion coefficients.

Small-angle neutron scattering study of micropore collapse in amorphous solid water.

PubMed

Mitterdorfer, Christian; Bauer, Marion; Youngs, Tristan G A; Bowron, Daniel T; Hill, Catherine R; Fraser, Helen J; Finney, John L; Loerting, Thomas

2014-08-14

Vapor-deposited amorphous solid water (ASW) is the most abundant solid molecular material in space, where it plays a direct role in both the formation of more complex chemical species and the aggregation of icy materials in the earliest stages of planet formation. Nevertheless, some of its low temperature physics such as the collapse of the micropore network upon heating are still far from being understood. Here we characterize the nature of the micropores and their collapse using neutron scattering of gram-quantities of D2O-ASW of internal surface areas up to 230 ± 10 m(2) g(-1) prepared at 77 K. The model-free interpretation of the small-angle scattering data suggests micropores, which remain stable up to 120-140 K and then experience a sudden collapse. The exact onset temperature to pore collapse depends on the type of flow conditions employed in the preparation of ASW and, thus, the specific surface area of the initial deposit, whereas the onset of crystallization to cubic ice is unaffected by the flow conditions. Analysis of the small-angle neutron scattering signal using the Guinier-Porod model suggests that a sudden transition from three-dimensional cylindrical pores with 15 Å radius of gyration to two-dimensional lamellae is the mechanism underlying the pore collapse. The rather high temperature of about 120-140 K of micropore collapse and the 3D-to-2D type of the transition unraveled in this study have implications for our understanding of the processing and evolution of ices in various astrophysical environments.

Effect of confinement in nano-porous materials on the solubility of a supercritical gas

NASA Astrophysics Data System (ADS)

Hu, Yaofeng; Huang, Liangliang; Zhao, Shuangliang; Liu, Honglai; Gubbins, Keith E.

2016-11-01

By combining Gibbs Ensemble Monte Carlo simulations and density functional theory, we investigate the influence of confinement in a slit-shaped carbon pore on the solubility of a supercritical solute gas in a liquid solvent. In the cases studied here, competing adsorption of the solvent and solute determines whether the solubility is enhanced or suppressed for larger pores. We find that the solubility in the confined system is strongly dependent on pore width, and that molecular packing effects are important for small pore widths. In addition, the solubility decreases on increase in the temperature, as for the bulk mixture, but the rate of decrease is greater in the pore due to a decrease in the partial molar enthalpy of the solute in the pore; this effect becomes greater as pore width is decreased. The solubility is increased on increasing the bulk pressure of the gas in equilibrium with the pore, and obeys Henry's law at lower pressures. However, the Henry constant differs significantly from that for the bulk mixture, and the range of pressure over which Henry's law applies is reduced relative to that for the bulk mixture. The latter observation indicates that solute-solute interactions become more important in the pore than for the bulk at a given bulk pressure. Finally, we note that different authors use different definitions of the solubility in pores, leading to some confusion over the reported phenomenon of 'oversolubility'. We recommend that solubility be defined as the overall mole fraction of solute in the pores, since it takes into account the increase in density of the solvent in the pores, and avoids ambiguity in the definition of the pore volume.

Methane gas hydrate effect on sediment acoustic and strength properties

USGS Publications Warehouse

Winters, W.J.; Waite, W.F.; Mason, D.H.; Gilbert, L.Y.; Pecher, I.A.

2007-01-01

To improve our understanding of the interaction of methane gas hydrate with host sediment, we studied: (1) the effects of gas hydrate and ice on acoustic velocity in different sediment types, (2) effect of different hydrate formation mechanisms on measured acoustic properties (3) dependence of shear strength on pore space contents, and (4) pore pressure effects during undrained shear.A wide range in acoustic p-wave velocities (Vp) were measured in coarse-grained sediment for different pore space occupants. Vp ranged from less than 1 km/s for gas-charged sediment to 1.77–1.94 km/s for water-saturated sediment, 2.91–4.00 km/s for sediment with varying degrees of hydrate saturation, and 3.88–4.33 km/s for frozen sediment. Vp measured in fine-grained sediment containing gas hydrate was substantially lower (1.97 km/s). Acoustic models based on measured Vp indicate that hydrate which formed in high gas flux environments can cement coarse-grained sediment, whereas hydrate formed from methane dissolved in the pore fluid may not.The presence of gas hydrate and other solid pore-filling material, such as ice, increased the sediment shear strength. The magnitude of that increase is related to the amount of hydrate in the pore space and cementation characteristics between the hydrate and sediment grains. We have found, that for consolidation stresses associated with the upper several hundred meters of sub-bottom depth, pore pressures decreased during shear in coarse-grained sediment containing gas hydrate, whereas pore pressure in fine-grained sediment typically increased during shear. The presence of free gas in pore spaces damped pore pressure response during shear and reduced the strengthening effect of gas hydrate in sands.

Pore Structure Model for Predicting Elastic Wavespeeds in Fluid-Saturated Sandstones

NASA Astrophysics Data System (ADS)

Zimmerman, R. W.; David, E. C.

2011-12-01

During hydrostatic compression, in the elastic regime, ultrasonic P and S wave velocities measured on rock cores generally increase with pressure, and reach asymptotic values at high pressures. The pressure dependence of seismic velocities is generally thought to be due to the closure of compliant cracks, in which case the high-pressure velocities must reflect only the influence of the non-closable, equant "pores". Assuming that pores can be represented by spheroids, we can relate the elastic properties to the pore structure using an effective medium theory. Moreover, the closure pressure of a thin crack-like pore is directly proportional to its aspect ratio. Hence, our first aim is to use the pressure dependence of seismic velocities to invert the aspect ratio distribution. We use a simple analytical algorithm developed by Zimmerman (Compressibility of Sandstones, 1991), which can be used for any effective medium theory. Previous works have used overly restrictive assumptions, such as assuming that the stiff pores are spherical, or that the interactions between pores can be neglected. Here, we assume that the rock contains an exponential distribution of crack aspect ratios, and one family of stiff pores having an aspect ratio lying somewhere between 0.01 and 1. We develop our model in two versions, using the Differential Scheme, and the Mori-Tanaka scheme. The inversion is done using data obtained in dry experiments, since pore fluids have a strong effect on velocities and tend to mask the effect of the pore geometry. This avoids complicated joint inversion of dry and wet data, such as done by Cheng and Toksoz (JGR, 1979). Our results show that for many sets of data on sandstones, we can fit very well the dry velocities. Our second aim is to predict the saturated velocities from our pore structure model, noting that at a given differential stress, the pore structure should be the same as for a dry test. Our results show that the Biot-Gassmann predictions always underpredict the rock stiffness and that, for ultrasonic measurements performed at high frequencies (~MHz), it is more accurate to use the results from effective medium theories, which implicitly assume that the fluid is trapped in the pores. Hence, we use the aspect ratio distribution inverted from dry data, but this time introducing fluid in the pores. For a good number of experimental data on sandstones, our predictions for the saturated velocities match well the experimental data. This validates the use of a spheroidal model for pores. The results are only very weakly dependent on the choice of the effective medium theory. We conclude that our method, which remain relatively simple, is a useful tool to extract the pore aspect ratio distribution, as well as predicting the saturated velocities for sandstones.

Global sensitivity analysis of multiscale properties of porous materials

NASA Astrophysics Data System (ADS)

Um, Kimoon; Zhang, Xuan; Katsoulakis, Markos; Plechac, Petr; Tartakovsky, Daniel M.

2018-02-01

Ubiquitous uncertainty about pore geometry inevitably undermines the veracity of pore- and multi-scale simulations of transport phenomena in porous media. It raises two fundamental issues: sensitivity of effective material properties to pore-scale parameters and statistical parameterization of Darcy-scale models that accounts for pore-scale uncertainty. Homogenization-based maps of pore-scale parameters onto their Darcy-scale counterparts facilitate both sensitivity analysis (SA) and uncertainty quantification. We treat uncertain geometric characteristics of a hierarchical porous medium as random variables to conduct global SA and to derive probabilistic descriptors of effective diffusion coefficients and effective sorption rate. Our analysis is formulated in terms of solute transport diffusing through a fluid-filled pore space, while sorbing to the solid matrix. Yet it is sufficiently general to be applied to other multiscale porous media phenomena that are amenable to homogenization.

Experimental evidence of the role of pores on movement and distribution of bacteria in soil

NASA Astrophysics Data System (ADS)

Kravchenko, Alexandra N.; Rose, Joan B.; Marsh, Terence L.; Guber, Andrey K.

2014-05-01

It has been generally recognized that micro-scale heterogeneity in soil environments can have a substantial effect on movement, fate, and survival of soil microorganisms. However, only recently the development of tools for micro-scale soil analyses, including X-ray computed micro-tomography (μ-CT), enabled quantitative analyses of these effects. The long-term goal of our work is to explore how differences in micro-scale characteristics of pore structures influence movement, spatial distribution patterns, and activities of soil microorganisms. Using X-ray μ-CT we found that differences in land use and management practices lead to development of contrasting patterns in pore size-distributions within intact soil aggregates. Then our experiments with Escherichia coli added to intact soil aggregates demonstrated that the differences in pore structures can lead to substantial differences in bacteria redistribution and movement within the aggregates. Specifically, we observed more uniform E.coli redistribution in aggregates with homogeneously spread pores, while heterogeneous pore structures resulted in heterogeneous E.coli patterns. Water flow driven by capillary forces through intact aggregate pores appeared to be the main contributor to the movement patterns of the introduced bacteria. Influence of pore structure on E.coli distribution within the aggregates further continued after the aggregates were subjected to saturated water flow. E. coli's resumed movement with saturated water flow and subsequent redistribution within the soil matrix was influenced by porosity, abundance of medium and large pores, pore tortuosity, and flow rates, indicating that greater flow accompanied by less convoluted pores facilitated E. coli transport within the intra-aggregate space. We also found that intra-aggregate heterogeneity of pore structures can have an effect on spatial distribution patterns of indigenous microbial populations. Preliminary analysis showed that in aggregates from an organic agricultural system with cover crops, characterized by greater intra-aggregate pore heterogeneity, bacteria of Actinobacteria and Firmicutes groups were more abundant in presence of large as compared to small pores. In contrast, no differences were observed in the aggregates from conventionally managed soil, overall characterized by homogeneous intra-aggregate pore patterns. Further research efforts are being directed towards quantification of the pore structure effects on activities and community composition of soil microorganisms.

Retention of antioxidant capacity of vacuum microwave dried cranberry.

PubMed

Leusink, Gwen J; Kitts, David D; Yaghmaee, Parastoo; Durance, Tim

2010-04-01

In this study, cranberries were dried by vacuum-microwave drying (VMD), freeze-drying (FD), or hot air-drying (AD), to compare the effects of different drying processes on both physical changes as well as the retention of bioactive components in dried samples. Total porosity (%) and average pore radius of dehydrated cranberries were greater using VMD compared to FD and AD (P < 0.05). Crude methanol cranberry powdered extracts were fractionated by solid phase extraction (SPE) into organic acid-, total phenolics-, anthocyanin-, or proanthocyanidin-enriched extracts, respectively. The chemical composition of the 60% acidified methanol fractions contained cyanidin-3-galactoside, cyanidin-3-arabinoside, peonidin-3-galactoside, and peonidin-3-arabinoside, as assessed by HPLC. Antioxidant activities of cranberry fractions were measured using chemical ORAC and ABTS methods. The 60% acidified methanol fraction had a significantly higher (P < 0.05) antioxidant potential than the other chemical fractions, which was largely attributed to the relatively higher anthocyanin content. In general, vacuum-microwave drying and freeze-drying resulted in similar retention of anthocyanins and antioxidant activity, which were both relatively higher (P < 0.05) than that recovered from cranberries dried by hot air drying.

Hybrid Macro-Porous Titanium Ornamented by Degradable 3D Gel/nHA Micro-Scaffolds for Bone Tissue Regeneration

PubMed Central

Yin, Bo; Ma, Pei; Chen, Jun; Wang, Hai; Wu, Gui; Li, Bo; Li, Qiang; Huang, Zhifeng; Qiu, Guixing; Wu, Zhihong

2016-01-01

Porous titanium is a kind of promising material for bone substitution, while its bio-inert property results in demand of modifications to improve the osteointegration capacity. In this study, gelatin (Gel) and nano-hydroxyapatite (nHA) were used to construct 3D micro-scaffolds in the pores of porous titanium in the ratios of Gel:nHA = 1:0, Gel:nHA = 1:1, and Gel:nHA = 1:3, respectively. Cell attachment and proliferation, and gene and protein expression levels of osteogenic markers were evaluated in MC3T3-E1 cells, followed by bone regeneration assessment in a rabbit radius defect model. All hybrid scaffolds with different composition ratio were found to have significant promotional effects in cell adhesion, proliferation and differentiation, in which the group with Gel:nHA = 1:1 showed the best performance in vitro, as well as the most bone regeneration volume in vivo. This 3D micro-scaffolds modification may be an innovative method for porous titanium ornamentation and shows potential application values in clinic. PMID:27092492

Hybrid Macro-Porous Titanium Ornamented by Degradable 3D Gel/nHA Micro-Scaffolds for Bone Tissue Regeneration.

PubMed

Yin, Bo; Ma, Pei; Chen, Jun; Wang, Hai; Wu, Gui; Li, Bo; Li, Qiang; Huang, Zhifeng; Qiu, Guixing; Wu, Zhihong

2016-04-15

Porous titanium is a kind of promising material for bone substitution, while its bio-inert property results in demand of modifications to improve the osteointegration capacity. In this study, gelatin (Gel) and nano-hydroxyapatite (nHA) were used to construct 3D micro-scaffolds in the pores of porous titanium in the ratios of Gel:nHA = 1:0, Gel:nHA = 1:1, and Gel:nHA = 1:3, respectively. Cell attachment and proliferation, and gene and protein expression levels of osteogenic markers were evaluated in MC3T3-E1 cells, followed by bone regeneration assessment in a rabbit radius defect model. All hybrid scaffolds with different composition ratio were found to have significant promotional effects in cell adhesion, proliferation and differentiation, in which the group with Gel:nHA = 1:1 showed the best performance in vitro, as well as the most bone regeneration volume in vivo. This 3D micro-scaffolds modification may be an innovative method for porous titanium ornamentation and shows potential application values in clinic.

Recovery of homogeneous polyoxometallate catalysts from aqueous and organic media by a mesoporous ceramic membrane without loss of catalytic activity.

PubMed

Roy Chowdhury, Sankhanilay; Witte, Peter T; Blank, Dave H A; Alsters, Paul L; Ten Elshof, Johan E

2006-04-03

The recovery of homogeneous polyoxometallate (POM) oxidation catalysts from aqueous and non-aqueous media by a nanofiltration process using mesoporous gamma-alumina membranes is reported. The recovery of Q(12)[WZn(3)(ZnW(9)O(34))(2)] (Q=[MeN(n-C(8)H(17))(3)](+)) from toluene-based media was quantitative within experimental error, while up to 97 % of Na(12)[WZn(3)(ZnW(9)O(34))(2)] could be recovered from water. The toluene-soluble POM catalyst was used repeatedly in the conversion of cyclooctene to cyclooctene oxide and separated from the product mixture after each reaction. The catalytic activity increased steadily with the number of times that the catalyst had been recycled, which was attributed to partial removal of the excess QCl that is known to have a negative influence on the catalytic activity. Differences in the permeability of the membrane for different liquid media can be attributed to viscosity differences and/or capillary condensation effects. The influence of membrane pore radius on permeability and recovery is discussed.

Pore geometry effects on intrapore viscous to inertial flows and on effective hydraulic parameters

NASA Astrophysics Data System (ADS)

Chaudhary, Kuldeep; Cardenas, M. Bayani; Deng, Wen; Bennett, Philip C.

2013-02-01

In this article, the effects of different diverging-converging pore geometries were investigated, and the microscale fluid flow and effective hydraulic properties from these pores were compared with that of a pipe from viscous to inertial laminar flow regimes. The flow fields are obtained using computational fluid dynamics, and the comparative analysis is based on a new dimensionless hydraulic shape factor β, which is the "specific surface" scaled by the length of pores. Results from all diverging-converging pores show an inverse pattern in velocity and vorticity distributions relative to the pipe flow. The hydraulic conductivity K of all pores is dependent on and can be predicted from β with a power function with an exponent of 3/2. The differences in K are due to the differences in distribution of local friction drag on the pore walls. At Reynolds number (Re) ˜ 0 flows, viscous eddies are found to exist almost in all pores in different sizes, but not in the pipe. Eddies grow when Re → 1 and leads to the failure of Darcy's law. During non-Darcy or Forchheimer flows, the apparent hydraulic conductivity Ka decreases due to the growth of eddies, which constricts the bulk flow region. At Re > 1, the rate of decrease in Ka increases, and at Re >> 1, it decreases to where the change in Ka ≈ 0, and flows once again exhibits a Darcy-type relationship. The degree of nonlinearity during non-Darcy flow decreases for pores with increasing β. The nonlinear flow behavior becomes weaker as β increases to its maximum value in the pipe, which shows no nonlinearity in the flow; in essence, Darcy's law stays valid in the pipe at all laminar flow conditions. The diverging-converging geometry in pores plays a critical role in modifying the intrapore fluid flow, implying that this property should be incorporated in effective larger-scale models, e.g., pore-network models.

Impacts of Mass-dimension and Area-dimension relationships on retrieval ice particle effective radius from radar and lidar measurements

NASA Astrophysics Data System (ADS)

Ham, S. H.; Kato, S.; Rose, F. G.

2016-12-01

In the retrieval of ice clouds from Radar and Lidar Measurements, mass-Dimension (m-D) and Area-Dimension (A-D) relationships are often used to describe nonspherical ice particle shapes. This study analytically investigates how the assumption of m-D and A-D relationships affects retrieval of ice effective radius. We use gamma and lognormal particle distributions and integrate optical parameters over the size distribution. The effective radius is expressed as a function of radar reflectivity factor, visible extinction coefficient, and parameters describing m-D and A-D relationships. The analytic expressions are used for converting effective radius retrieved from one set of m-D and A-D relationships into that with another set of m-D and A-D, including plates, solid columns, bullets, and mixture of different habits. The conversion method can be used for consistent radiative transfer simulation with cloud retrieval algorithms. In addition, when we want to merge cloud effective radii retrieved from different m-D and A-D, the conversion method can be efficiently used to remove undesired biases caused by m-D and A-D assumptions. Furthermore, the sensitivity of the effective radius to m-D and A-D relationships can be quantified by taking the first derivative of the effective radius with respect to parameters expressing the m-D and A-D relationships.

Pore structure modification of diatomite as sulfuric acid catalyst support by high energy electron beam irradiation and hydrothermal treatment

NASA Astrophysics Data System (ADS)

Li, Chong; Zhang, Guilong; Wang, Min; Chen, Jianfeng; Cai, Dongqing; Wu, Zhengyan

2014-08-01

High energy electron beam (HEEB) irradiation and hydrothermal treatment (HT), were applied in order to remove the impurities and enlarge the pore size of diatomite, making diatomite more suitable to be a catalyst support. The results demonstrated that, through thermal, charge, impact and etching effects, HEEB irradiation could make the impurities in the pores of diatomite loose and remove some of them. Then HT could remove rest of them from the pores and contribute significantly to the modification of the pore size distribution of diatomite due to thermal expansion, water swelling and thermolysis effects. Moreover, the pore structure modification improved the properties (BET (Brunauer-Emmett-Teller) specific surface area, bulk density and pore volume) of diatomite and the catalytic efficiency of the catalyst prepared from the treated diatomite.

Experimental study on pore structure and performance of sintered porous wick

NASA Astrophysics Data System (ADS)

He, Da; Wang, Shufan; Liu, Rutie; Wang, Zhubo; Xiong, Xiang; Zou, Jianpeng

2018-02-01

Porous wicks were prepared via powder metallurgy using NH4HCO3 powders as pore-forming agent. The pore-forming agent particle size was varied to control the pore structure and equivalent pore size distribution feature of porous wick. The effect of pore-forming agent particle size on the porosity, pore structures, equivalent pore size distribution and capillary pumping performance were investigated. Results show that with the particle size of pore-forming agent decrease, the green density and the volume shrinkage of the porous wicks gradually increase and the porosity reduces slightly. There are two types of pores inside the porous wick, large-sized prefabricated pores and small-sized gap pores. With the particle size of pore-forming agent decrease, the size of the prefabricated pores becomes smaller and the distribution tends to be uniform. Gap pores and prefabricated pores inside the wick can make up different types of pore channels. The equivalent pore size of wick is closely related to the structure of pore channels. Furthermore, the equivalent pore size distribution of wick shows an obvious double-peak feature when the pore-forming agent particle size is large. With the particle size of pore-forming agent decrease, the two peaks of equivalent pore size distribution approach gradually to each other, resulting in a single-peak feature. Porous wick with single-peak feature equivalent pore size distribution possesses the better capillary pumping performances.

Scale Effects on Magnet Systems of Heliotron-Type Reactors

NASA Astrophysics Data System (ADS)

S, Imagawa; A, Sagara

2005-02-01

For power plants heliotron-type reactors have attractive advantages, such as no current-disruptions, no current-drive, and wide space between helical coils for the maintenance of in-vessel components. However, one disadvantage is that a major radius has to be large enough to obtain large Q-value or to produce sufficient space for blankets. Although the larger radius is considered to increase the construction cost, the influence has not been understood clearly, yet. Scale effects on superconducting magnet systems have been estimated under the conditions of a constant energy confinement time and similar geometrical parameters. Since the necessary magnetic field with a larger radius becomes lower, the increase rate of the weight of the coil support to the major radius is less than the square root. The necessary major radius will be determined mainly by the blanket space. The appropriate major radius will be around 13 m for a reactor similar to the Large Helical Device (LHD).

Retrievals and Comparisons of Various MODIS-Spectrum Inferred Water Cloud Droplet Effective Radii

NASA Technical Reports Server (NTRS)

Fu-Lung, Chang; Minnis, Patrick; Lin, Bin; Sunny, Sun-Mack; Khaiyer, Mandana M.

2007-01-01

Cloud droplet effective radius retrievals from different Aqua MODIS nearinfrared channels (2.1- micrometer, 3.7- micrometer, and 1.6- micrometer) show considerable differences even among most confident QC pixels. Both Collection 004 and Collection 005 MOD06 show smaller mean effective radii at 3.7- micrometer wavelength than at 2.1- micrometer and 1.6- micrometer wavelengths. Differences in effective radius retrievals between Collection 004 and Collection 005 may be affected by cloud top height/temperature differences, which mainly occur for optically thin clouds. Changes in cloud top height and temperature for thin clouds have different impacts on the effective radius retrievals from 2.1- micrometer, 3.7- micrometer, and 1.6- micrometer channels. Independent retrievals (this study) show, on average, more consistency in the three effective radius retrievals. This study is for Aqua MODIS only.

Processing and Characterization of Porous Ti2AlC with Controlled Porosity and Pore Size

DTIC Science & Technology

2012-09-11

fabricated by spark plasma sintering , were also characterized. The effects of porosity and/or pore size on the room temperature elastic moduli...pressureless- sintered without NaCl pore former, or fabricated by spark plasma sintering , were also characterized. The effects of porosity and/or pore size...as well as several samples sintered using spark plasma sintering (SPS). Furthermore, we demon- strate that the developed methodology can be implemented

Effect of Pore Size and Pore Connectivity on Unidirectional Capillary Penetration Kinetics in 3-D Porous Media using Direct Numerical Simulation

NASA Astrophysics Data System (ADS)

Fu, An; Palakurthi, Nikhil; Konangi, Santosh; Comer, Ken; Jog, Milind

2017-11-01

The physics of capillary flow is used widely in multiple fields. Lucas-Washburn equation is developed by using a single pore-sized capillary tube with continuous pore connection. Although this equation has been extended to describe the penetration kinetics into porous medium, multiple studies have indicated L-W does not accurately predict flow patterns in real porous media. In this study, the penetration kinetics including the effect of pore size and pore connectivity will be closely examined since they are expected to be the key factors effecting the penetration process. The Liquid wicking process is studied from a converging and diverging capillary tube to the complex virtual 3-D porous structures with Direct Numerical Simulation (DNS) using the Volume-Of-Fluid (VOF) method within the OpenFOAM CFD Solver. Additionally Porous Medium properties such as Permeability (k) , Tortuosity (τ) will be also analyzed.

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

Percolation Laws of a Fractal Fracture-Pore Double Medium

NASA Astrophysics Data System (ADS)

Zhao, Yangsheng; Feng, Zengchao; Lv, Zhaoxing; Zhao, Dong; Liang, Weiguo

2016-12-01

The fracture-pore double porosity medium is one of the most common media in nature, for example, rock mass in strata. Fracture has a more significant effect on fluid flow than a pore in a fracture-pore double porosity medium. Hence, the fracture effect on percolation should be considered when studying the percolation phenomenon in porous media. In this paper, based on the fractal distribution law, three-dimensional (3D) fracture surfaces, and two-dimensional (2D) fracture traces in rock mass, the locations of fracture surfaces or traces are determined using a random function of uniform distribution. Pores are superimposed to build a fractal fracture-pore double medium. Numerical experiments were performed to show percolation phenomena in the fracture-pore double medium. The percolation threshold can be determined from three independent variables (porosity n, fracture fractal dimension D, and initial value of fracture number N0). Once any two are determined, the percolation probability exists at a critical point with the remaining parameter changing. When the initial value of the fracture number is greater than zero, the percolation threshold in the fracture-pore medium is much smaller than that in a pore medium. When the fracture number equals zero, the fracture-pore medium degenerates to a pore medium, and both percolation thresholds are the same.

Salt permeation and exclusion in hydroxylated and functionalized silica pores.

PubMed

Leung, Kevin; Rempe, Susan B; Lorenz, Christian D

2006-03-10

We use combined ab initio molecular dynamics (AIMD), grand canonical Monte Carlo, and molecular dynamics techniques to study the effect of pore surface chemistry and confinement on the permeation of salt into silica nanopore arrays filled with water. AIMD shows that 11.6 A diameter hydroxylated silica pores are relatively stable in water, whereas amine groups on functionalized pore surfaces abstract silanol protons, turning into NH3+. Free energy calculations using an ab initio parametrized force field show that the hydroxylated pores strongly attract Na+ and repel Cl- ions. Pores lined with NH3+ have the reverse surface charge polarity. Finally, studies of ions in carbon nanotubes suggest that hydration of Cl- is more strongly frustrated by pure confinement effects than Na+.

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

Ahmed, K.; Tonks, M.; Zhang, Y.

A detailed phase field model for the effect of pore drag on grain growth kinetics was implemented in MARMOT. The model takes into consideration both the curvature-driven grain boundary motion and pore migration by surface diffusion. As such, the model accounts for the interaction between pore and grain boundary kinetics, which tends to retard the grain growth process. Our 2D and 3D simulations demonstrate that the model capture all possible pore-grain boundary interactions proposed in theoretical models. For high enough surface mobility, the pores move along with the migrating boundary as a quasi-rigid-body, albeit hindering its migration rate compared tomore » the pore-free case. For less mobile pores, the migrating boundary can separate from the pores. For the pore-controlled grain growth kinetics, the model predicts a strong dependence of the growth rate on the number of pores, pore size, and surface diffusivity in agreement with theroretical models. An evolution equation for the grain size that includes these parameters was derived and showed to agree well with numerical solution. It shows a smooth transition from boundary-controlled kinetics to pore-controlled kinetics as the surface diffusivity decreases or the number of pores or their size increases. This equation can be utilized in BISON to give accurate estimate for the grain size evolution. This will be accomplished in the near future. The effect of solute drag and anisotropy of grain boundary on grain growth will be investigated in future studies.« less

Monovalent Cation Permeation through the Connexin40 Gap Junction Channel

PubMed Central

Beblo, Dolores A.; Veenstra, Richard D.

1997-01-01

The unitary conductances and permeability sequences of the rat connexin40 (rCx40) gap junction channels to seven monovalent cations and anions were studied in rCx40-transfected neuroblastoma 2A (N2A) cell pairs using the dual whole cell recording technique. Chloride salt cation substitutions (115 mM principal salt) resulted in the following junctional maximal single channel current-voltage relationship slope conductances (γj in pS): CsCl (153), RbCl (148), KCl (142), NaCl (115), LiCl (86), TMACl (71), TEACl (63). Reversible block of the rCx40 channel was observed with TBA. Potassium anion salt γj are: Kglutamate (160), Kacetate (160), Kaspartate (158), KNO3 (157), KF (148), KCl (142), and KBr (132). Ion selectivity was verified by measuring reversal potentials for current in rCx40 gap junction channels with asymmetric salt solutions in the two electrodes and using the Goldman-Hodgkin-Katz equation to calculate relative permeabilities. The permeabilities relative to Li+ are: Cs+ (1.38), Rb+ (1.32), K+ (1.31), Na+ (1.16), TMA+ (0.53), TEA+ (0.45), TBA+ (0.03), Cl− (0.19), glutamate− (0.04), and NO3− (0.14), assuming that the monovalent anions permeate the channel by forming ion pairs with permeant monovalent cations within the pore thereby causing proportionate decreases in the channel conductance. This hypothesis can account for why the predicted increasing conductances with increasing ion mobilities in an essentially aqueous channel were not observed for anions in the rCx40 channel. The rCx40 effective channel radius is estimated to be 6.6 Å from a theoretical fit of the relationship of relative permeability and cation radius. PMID:9101408

Measurement of variation in soil solute tracer concentration across a range of effective pore sizes

USGS Publications Warehouse

Harvey, Judson W.

1993-01-01

Solute transport concepts in soil are based on speculation that solutes are distributed nonuniformly within large and small pores. Solute concentrations have not previously been measured across a range of pore sizes and examined in relation to soil hydrological properties. For this study, modified pressure cells were used to measure variation in concentration of a solute tracer across a range of pore sizes. Intact cores were removed from the site of a field tracer experiment, and soil water was eluted from 10 or more discrete classes of pore size. Simultaneous changes in water content and unsaturated hydraulic conductivity were determined on cores using standard pressure cell techniques. Bromide tracer concentration varied by as much as 100% across the range of pore sizes sampled. Immediately following application of the bromide tracer on field plots, bromide was most concentrated in the largest pores; concentrations were lower in pores of progressively smaller sizes. After 27 days, bromide was most dilute in the largest pores and concentrations were higher in the smaller pores. A sharp, threefold decrease in specific water capacity during elution indicated separation of two major pore size classes at a pressure of 47 cm H2O and a corresponding effective pore diameter of 70 μm. Variation in tracer concentration, on the other hand, was spread across the entire range of pore sizes investigated in this study. A two-porosity characterization of the transport domain, based on water retention criteria, only broadly characterized the pattern of variation in tracer concentration across pore size classes during transport through a macroporous soil.

Fabrication and characterization of poly(propylene fumarate) scaffolds with controlled pore structures using 3-dimensional printing and injection molding.

PubMed

Lee, Kee-Won; Wang, Shanfeng; Lu, Lichun; Jabbari, Esmaiel; Currier, Bradford L; Yaszemski, Michael J

2006-10-01

Poly(propylene fumarate) (PPF) is an injectable, biodegradable polymer that has been used for fabricating preformed scaffolds in tissue engineering applications because of in situ crosslinking characteristics. Aiming for understanding the effects of pore structure parameters on bone tissue ingrowth, 3-dimensional (3D) PPF scaffolds with controlled pore architecture have been produced in this study from computer-aided design (CAD) models. We have created original scaffold models with 3 pore sizes (300, 600, and 900 microm) and randomly closed 0%, 10%, 20%, or 30% of total pores from the original models in 3 planes. PPF scaffolds were fabricated by a series steps involving 3D printing of support/build constructs, dissolving build materials, injecting PPF, and dissolving support materials. To investigate the effects of controlled pore size and interconnectivity on scaffolds, we compared the porosities between the models and PPF scaffolds fabricated thereby, examined pore morphologies in surface and cross-section using scanning electron microscopy, and measured permeability using the falling head conductivity test. The thermal properties of the resulting scaffolds as well as uncrosslinked PPF were determined by differential scanning calorimetry and thermogravimetric analysis. Average pore sizes and pore shapes of PPF scaffolds with 600- and 900-microm pores were similar to those of CAD models, but they depended on directions in those with 300-microm pores. Porosity and permeability of PPF scaffolds decreased as the number of closed pores in original models increased, particularly when the pore size was 300 microm as the result of low porosity and pore occlusion. These results show that 3D printing and injection molding technique can be applied to crosslinkable polymers to fabricate 3D porous scaffolds with controlled pore structures, porosity, and permeability using their CAD models.

Differences in liquid cloud droplet effective radius and number concentration estimates between MODIS Collections 5.1 and 6 over global oceans

PubMed Central

Rausch, John; Meyer, Kerry; Bennartz, Ralf; Platnick, Steven

2017-01-01

Differences in cloud droplet effective radius and cloud droplet number concentration (CDNC) estimates inferred from the Aqua MODIS Collections 5.1 and 6 cloud products (MYD06) are examined for warm clouds over global oceans for the year 2008. Individual pixel level retrievals for both collections are aggregated to 1° × 1° and compared globally and regionally for the three main spectral channel pairs used for MODIS cloud optical property retrievals. Comparisons between both collections are performed for cases in which all three effective radii retrievals are classified by the MODIS Cloud Product as valid. The contribution to the observed differences of several key MYD06 Collection 6 algorithm updates are also explored, with a focus on changes to the surface reflectance model, assumed solar irradiance, above cloud emission, cloud top pressure, and pixel registration. Global results show a neutral to positive (> 50 cm−3) change for C6-derived CDNC relative to C5.1 for the 1.6 µm and 2.1 µm channel retrievals, corresponding to a neutral to −2 µm difference in droplet effective radius. For 3.7 µm retrievals, CDNC results show a negative change in the tropics, with differences transitioning toward positive values with increasing latitude spanning −25 to +50 cm−3 related to a +2.5 to −1 µm transition in effective radius. Cloud optical thickness differences were small relative to effective radius, and found to not significantly impact CDNC estimates. Regionally, the magnitude and behavior of the annual CDNC cycle are compared for each effective radius retrieval. Results from this study indicate significant intercollection differences in aggregated values of effective radius due to changes to the pre-computed retrieval lookup tables for ocean scenes, changes to retrieved cloud top pressure, solar irradiance, or above cloud thermal emission, depending upon spectral channel. The observed differences between collections may have implications for existing MODIS derived climatologies and validation studies of effective radius and CDNC. PMID:29098040

Differences in Liquid Cloud Droplet Effective Radius and Number Concentration Estimates Between MODIS Collections 5.1 and 6 Over Global Oceans

NASA Technical Reports Server (NTRS)

Rausch, John; Meyer, Kerry; Bennartz, Ralf; Platnick, Steven

2017-01-01

Differences in cloud droplet effective radius and cloud droplet number concentration (CDNC) estimates inferred from the Aqua MODIS Collections 5.1 and 6 cloud products (MYD06) are examined for warm clouds over global oceans for the year 2008. Individual pixel level retrievals for both collections are aggregated to 1 degree x 1 degree and compared globally and regionally for the three main spectral channel pairs used for MODIS cloud optical property retrievals. Comparisons between both collections are performed for cases in which all three effective radii retrievals are classified by the MODIS Cloud Product as valid. The contribution to the observed differences of several key MYD06 Collection 6 algorithm updates are also explored, with a focus on changes to the surface reflectance model, assumed solar irradiance, above cloud emission, cloud top pressure, and pixel registration. Global results show a neutral to positive ( greater than 50cm(exp. -3) change for C6-derived CDNC relative to C5.1 for the 1.6 micrometers and 2.1 micrometers channel retrievals, corresponding to a neutral to -2 micrometers difference in droplet effective radius. For 3.7 micrometer retrievals, CDNC results show a negative change in the tropics, with differences transitioning toward positive values with increasing latitude spanning -25 to +50 cm(exp. -3) related to a +2.5 to -1 micrometers transition in effective radius. Cloud optical thickness differences were small relative to effective radius, and found to not significantly impact CDNC estimates. Regionally, the magnitude and behavior of the annual CDNC cycle are compared for each effective radius retrieval. Results from this study indicate significant intercollection differences in aggregated values of effective radius due to changes to the pre-computed retrieval lookup tables for ocean scenes, changes to retrieved cloud top pressure, solar irradiance, or above cloud thermal emission, depending upon spectral channel. The observed differences between collections may have implications for existing MODIS derived climatologies and validation studies of effective radius and CDNC.

Repairing a critical-sized bone defect with highly porous modified and unmodified baghdadite scaffolds.

PubMed

Roohani-Esfahani, S I; Dunstan, C R; Davies, B; Pearce, S; Williams, R; Zreiqat, H

2012-11-01

This is the first reported study to prepare highly porous baghdadite (Ca₃ZrSi₂O₉) scaffolds with and without surface modification and investigate their ability to repair critical-sized bone defects in a rabbit radius under normal load. The modification was carried out to improve the mechanical properties of the baghdadite scaffolds (particularly to address their brittleness) by coating their surfaces with a thin layer (∼400 nm) of polycaprolactone (PCL)/bioactive glass nanoparticles (nBGs). The β-tricalcium phosphate/hydroxyapatite (TCP/HA) scaffolds with and without modification were used as the control groups. All of the tested scaffolds had an open and interconnected porous structure with a porosity of ∼85% and average pore size of 500 μm. The scaffolds (six per scaffold type and size of 4 mm × 4 mm × 15 mm) were implanted (press-fit) into the rabbit radial segmental defects for 12 weeks. Micro-computed tomography and histological evaluations were used to determine bone ingrowth, bone quality, and implant integration after 12 weeks of healing. Extensive new bone formation with complete bridging of the radial defect was evident with the baghdadite scaffolds (modified/unmodified) at the periphery and in close proximity to the ceramics within the pores, in contrast to TCP/HA scaffolds (modified/unmodified), where bone tended to grow between the ulna adjacent to the implant edge. Although the modification of the baghdadite scaffolds significantly improved their mechanical properties, it did not show any significant effect on in vivo bone formation. Our findings suggest that baghdadite scaffolds with and without modification can serve as a potential material to repair critical sized bone defects. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

The effect of ethylene glycol on pore arrangement of anodic aluminium oxide prepared by hard anodization

NASA Astrophysics Data System (ADS)

Guo, Yang; Zhang, Li; Han, Mangui; Wang, Xin; Xie, Jianliang; Deng, Longjiang

2018-03-01

The influence of the addition of ethylene glycol (EG) on the pore self-ordering process in anodic aluminium oxide (AAO) membranes prepared by hard anodization (HA) was investigated. It was illustrated that EG has a substantial effect on the pore arrangement of AAO, and it was found that a smaller pore size can be obtained with an EG concentration reaching 20 wt% in aqueous electrolyte. The number of estimated defects of AAO increases significantly with an increase in EG concentration to 50 wt%. Excellent ordering of pores was realized when the samples were anodized in the 30 wt%-EG-containing aqueous electrolyte.

Mechanism of two-step vapour-crystal nucleation in a pore

NASA Astrophysics Data System (ADS)

van Meel, J. A.; Liu, Y.; Frenkel, D.

2015-09-01

We present a numerical study of the effect of hemispherical pores on the nucleation of Lennard-Jones crystals from the vapour phase. As predicted by Page and Sear, there is a narrow range of pore radii, where vapour-liquid nucleation can become a two-step process. A similar observation was made for different pore geometries by Giacomello et al. We find that the maximum nucleation rate depends on both the size and the adsorption strength of the pore. Moreover, a poe can be more effective than a planar wall with the same strength of attraction. Pore-induced vapour-liquid nucleation turns out to be the rate-limiting step for crystal nucleation. This implies that crystal nucleation can be enhanced by a judicious choice of the wetting properties of a microporous nucleating agent.

Testing and modelling of the SVOM MXT narrow field lobster-eye telescope

NASA Astrophysics Data System (ADS)

Feldman, Charlotte; Pearson, James; Willingale, Richard; Sykes, John; Drumm, Paul; Houghton, Paul; Bicknell, Chris; Osborne, Julian; Martindale, Adrian; O'Brien, Paul; Fairbend, Ray; Schyns, Emile; Petit, Sylvain; Roudot, Romain; Mercier, Karine; Le Duigou, Jean-Michel; Gotz, Diego

2017-08-01

The Space-based multi-band astronomical Variable Objects Monitor (SVOM) is a French-Chinese space mission to be launched in 2021 with the goal of studying gamma-ray bursts, the most powerful stellar explosions in the Universe. The Microchannel X-ray Telescope (MXT) on-board SVOM, is an X-ray focusing telescope with a detector-limited field of view of ˜1 square° , working in the 0.2-10 keV energy band. The MXT is a narrow-field-optimised lobster eye telescope, designed to promptly detect and accurately locate gamma-ray bursts afterglows. The breadboard MXT optic comprises of an array of square pore micro pore optics (MPOs) which are slumped to a spherical radius of 2 m giving a focal length of 1 m and an intrinsic field of view of ˜6° . We present details of the baseline design and results from the ongoing X-ray tests of the breadboard and structural thermal model MPOs performed at the University of Leicester and at Panter. In addition, we present details of modelling and analysis which reveals the factors that limit the angular resolution, characteristics of the point spread function and the efficiency and collecting area of the currently available MPOs.

Long-range crystalline order in spicules from the calcareous sponge Paraleucilla magna (Porifera, Calcarea).

PubMed

Rossi, Andre L; Campos, Andrea P C; Barroso, Madalena M S; Klautau, Michelle; Archanjo, Bráulio S; Borojevic, Radovan; Farina, Marcos; Werckmann, Jacques

2014-09-01

We investigated the ultrastructure and crystallographic orientation of spicules from the calcareous sponge Paraleucilla magna (subclass Calcaronea) by transmission and scanning electron microscopy using two different methods of sample preparation: ultramicrotomy and focused ion beam (FIB). It was found that the unpaired actine from the spicules was oriented in the [211] zone axis. The plane that contains the unpaired actine and divides symmetrically the paired actines is the (-120). This plane is a mirror plane of the hexagonal lattice system. All the spicule types analyzed presented the same crystallographic orientation. Electron nanodiffraction maps from 4μm×4μm regions prepared by FIB showed disorientation of <2° between diffraction patterns obtained from neighbor regions, indicating the presence of a unique, highly aligned calcite crystalline phase. Among the eight FIB sections obtained, four presented high pore density. In one section perpendicular to the actine axis pores were observed only in the center of the spicule aligned in a circular pattern and surrounded by a faint circular contour with a larger radius. The presence of amorphous carbon representative of organic molecules detected by electron energy loss spectroscopy was correlated neither with porosity nor with specific lattice planes. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Injection threshold for a star polymer inside a nanopore

NASA Astrophysics Data System (ADS)

Brochard-Wyart, Françoise; de Gennes, Pierre-Gilles

A linear, flexible polymer (in dilute solution with a good solvent) enters a pore (of diameter D smaller than its gyration radius R) only when the suction flux J is larger than a threshold value Jcl ≅ kT/η (T: temperature; η: solvent viscosity). We discuss here the case of an f arm star polymer (f >> 1). The results suggest that permeation through nanopores may provide an interesting characterization of mixtures containing linear and branched polymers with the same overall molecular weight. Un polymère linéaire flexible (en solution diluée dans un bon solvant) ne pénètre dans un pore (de diamètre D inférieure à son rayon de gyration R) que si le flux d'entraînement J est supérieur à une valeur seuil Jcl ≅ kT/η (T : température ; η: viscosité du solvant). Nous étendons ici la discussion au cas d'une étoile à f branches (f >> 1). Les résultats suggèrent que la perméation dans des nanopores peut être une méthode utile pour caractériser des mélanges de polymères linéaires et branchés de même masse moléculaire globale.

Transport of Brownian spheroidal nanoparticles in near-wall vascular flows for cancer therapy

NASA Astrophysics Data System (ADS)

Lin, Tiras Y.; Shah, Preyas N.; Smith, Bryan R.; Shaqfeh, Eric S. G.

2016-11-01

The microenvironment local to a tumor is characterized by a leaky vasculature induced by angiogenesis from tumor growth. Small pores form in the blood vessel walls, and these pores provide a pathway for cancer-ameliorating nanoparticle drug carriers. Using both simulations and microfluidics experiments, we investigate the extravasation of nanoparticles through pores. Using Brownian dynamics simulations, we evolve the stochastic equations for both point particles and finite-size spheroids of varying aspect ratio. We investigate the effect of wall shear flow and pore suction flow (Sampson flow) on the extravasation process. We consider pores of two types: physiologically relevant short pores with a length equal to the particle size and long pores which are relevant to diffusion through membranes. Additionally, we perform microfluidics experiments in which the extravasation rates of various nanoparticles tagged with fluorescent dye through pores are measured. In particular, using fluorometry we measure the flux of nanoparticles across a track-etched membrane, which separates two chambers. Our preliminary results indicate that the flux measured from experiment agrees reasonably with the simulations done with long pores, and we discuss the effect of pore length on extravasation. T.Y.L. is supported by the Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program.

Micromechanics of cataclastic pore collapse in limestone

NASA Astrophysics Data System (ADS)

Zhu, Wei; Baud, Patrick; Wong, Teng-Fong

2010-04-01

The analysis of compactant failure in carbonate formations hinges upon a fundamental understanding of the mechanics of inelastic compaction. Microstructural observations indicate that pore collapse in a limestone initiates at the larger pores, and microcracking dominates the deformation in the periphery of a collapsed pore. To capture these micromechanical processes, we developed a model treating the limestone as a dual porosity medium, with the total porosity partitioned between macroporosity and microporosity. The representative volume element is made up of a large pore which is surrounded by an effective medium containing the microporosity. Cataclastic yielding of this effective medium obeys the Mohr-Coulomb or Drucker-Prager criterion, with failure parameters dependent on porosity and pore size. An analytic approximation was derived for the unconfined compressive strength associated with failure due to the propagation and coalescence of pore-emanated cracks. For hydrostatic loading, identical theoretical results for the pore collapse pressure were obtained using the Mohr-Coulomb or Drucker-Prager criterion. For nonhydrostatic loading, the stress state at the onset of shear-enhanced compaction was predicted to fall on a linear cap according to the Mohr-Coulomb criterion. In contrast, nonlinear caps in qualitative agreement with laboratory data were predicted using the Drucker-Prager criterion. Our micromechanical model implies that the effective medium is significantly stronger and relatively pressure-insensitive in comparison to the bulk sample.

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

Thermodynamic sorption analysis and glass transition temperature of faba bean (Vicia faba L.) protein.

PubMed

Alpizar-Reyes, E; Castaño, J; Carrillo-Navas, H; Alvarez-Ramírez, J; Gallardo-Rivera, R; Pérez-Alonso, C; Guadarrama-Lezama, A Y

2018-03-01

Freeze-dried faba bean ( Vicia faba L.) protein adsorption isotherms were determined at 25, 35 and 40 °C and fitted with the Guggenheim-Anderson-de Boer model. The pore radius of protein was in the range of 0.87-6.44 nm, so that they were considered as micropores and mesopores. The minimum integral entropy ranged between 4.33 and 4.44 kg H 2 O/100 kg d.s., was regarded as the point of maximum of stability. The glass transition temperature of the protein equilibrated at the different conditions of storage was determined, showing that the protein remained in glassy state for all cases. The protein showed compact and rigid structures, evidenced by microscopy analysis.

The Description of Shale Reservoir Pore Structure Based on Method of Moments Estimation

PubMed Central

Li, Wenjie; Wang, Changcheng; Shi, Zejin; Wei, Yi; Zhou, Huailai; Deng, Kun

2016-01-01

Shale has been considered as good gas reservoir due to its abundant interior nanoscale pores. Thus, the study of the pore structure of shale is of great significance for the evaluation and development of shale oil and gas. To date, the most widely used approaches for studying the shale pore structure include image analysis, radiation and fluid invasion methods. The detailed pore structures can be studied intuitively by image analysis and radiation methods, but the results obtained are quite sensitive to sample preparation, equipment performance and experimental operation. In contrast, the fluid invasion method can be used to obtain information on pore size distribution and pore structure, but the relative simple parameters derived cannot be used to evaluate the pore structure of shale comprehensively and quantitatively. To characterize the nanoscale pore structure of shale reservoir more effectively and expand the current research techniques, we proposed a new method based on gas adsorption experimental data and the method of moments to describe the pore structure parameters of shale reservoir. Combined with the geological mixture empirical distribution and the method of moments estimation principle, the new method calculates the characteristic parameters of shale, including the mean pore size (x¯), standard deviation (σ), skewness (Sk) and variation coefficient (c). These values are found by reconstructing the grouping intervals of observation values and optimizing algorithms for eigenvalues. This approach assures a more effective description of the characteristics of nanoscale pore structures. Finally, the new method has been applied to analyze the Yanchang shale in the Ordos Basin (China) and Longmaxi shale from the Sichuan Basin (China). The results obtained well reveal the pore characteristics of shale, indicating the feasibility of this new method in the study of the pore structure of shale reservoir. PMID:26992168

The Description of Shale Reservoir Pore Structure Based on Method of Moments Estimation.

PubMed

Li, Wenjie; Wang, Changcheng; Shi, Zejin; Wei, Yi; Zhou, Huailai; Deng, Kun

2016-01-01

Shale has been considered as good gas reservoir due to its abundant interior nanoscale pores. Thus, the study of the pore structure of shale is of great significance for the evaluation and development of shale oil and gas. To date, the most widely used approaches for studying the shale pore structure include image analysis, radiation and fluid invasion methods. The detailed pore structures can be studied intuitively by image analysis and radiation methods, but the results obtained are quite sensitive to sample preparation, equipment performance and experimental operation. In contrast, the fluid invasion method can be used to obtain information on pore size distribution and pore structure, but the relative simple parameters derived cannot be used to evaluate the pore structure of shale comprehensively and quantitatively. To characterize the nanoscale pore structure of shale reservoir more effectively and expand the current research techniques, we proposed a new method based on gas adsorption experimental data and the method of moments to describe the pore structure parameters of shale reservoir. Combined with the geological mixture empirical distribution and the method of moments estimation principle, the new method calculates the characteristic parameters of shale, including the mean pore size (mean), standard deviation (σ), skewness (Sk) and variation coefficient (c). These values are found by reconstructing the grouping intervals of observation values and optimizing algorithms for eigenvalues. This approach assures a more effective description of the characteristics of nanoscale pore structures. Finally, the new method has been applied to analyze the Yanchang shale in the Ordos Basin (China) and Longmaxi shale from the Sichuan Basin (China). The results obtained well reveal the pore characteristics of shale, indicating the feasibility of this new method in the study of the pore structure of shale reservoir.

Light-trapping for room temperature Bose-Einstein condensation in InGaAs quantum wells.

PubMed

Vasudev, Pranai; Jiang, Jian-Hua; John, Sajeev

2016-06-27

We demonstrate the possibility of room-temperature, thermal equilibrium Bose-Einstein condensation (BEC) of exciton-polaritons in a multiple quantum well (QW) system composed of InGaAs quantum wells surrounded by InP barriers, allowing for the emission of light near telecommunication wavelengths. The QWs are embedded in a cavity consisting of double slanted pore (SP2) photonic crystals composed of InP. We consider exciton-polaritons that result from the strong coupling between the multiple quantum well excitons and photons in the lowest planar guided mode within the photonic band gap (PBG) of the photonic crystal cavity. The collective coupling of three QWs results in a vacuum Rabi splitting of 3% of the bare exciton recombination energy. Due to the full three-dimensional PBG exhibited by the SP2 photonic crystal (16% gap to mid-gap frequency ratio), the radiative decay of polaritons is eliminated in all directions. Due to the short exciton-phonon scattering time in InGaAs quantum wells of 0.5 ps and the exciton non-radiative decay time of 200 ps at room temperature, polaritons can achieve thermal equilibrium with the host lattice to form an equilibrium BEC. Using a SP2 photonic crystal with a lattice constant of a = 516 nm, a unit cell height of 2a=730nm and a pore radius of 0.305a = 157 nm, light in the lowest planar guided mode is strongly localized in the central slab layer. The central slab layer consists of 3 nm InGaAs quantum wells with 7 nm InP barriers, in which excitons have a recombination energy of 0.944 eV, a binding energy of 7 meV and a Bohr radius of aB = 10 nm. We take the exciton recombination energy to be detuned 35 meV above the lowest guided photonic mode so that an exciton-polariton has a photonic fraction of approximately 97% per QW. This increases the energy range of small-effective-mass photonlike states and increases the critical temperature for the onset of a Bose-Einstein condensate. With three quantum wells in the central slab layer, the strong light confinement results in light-matter coupling strength of ℏΩ = 13.7 meV. Assuming an exciton density per QW of (15aB)^-2, well below the saturation density, in a 2-D box-trap with a side length of 10 to 500 µm, we predict thermal equilibrium Bose-Einstein condensation well above room temperature.

Transport and Deposition of Nanoparticles in the Pore Network of a Reservoir Rock: Effects of Pore Surface Heterogeneity and Radial Diffusion

NASA Astrophysics Data System (ADS)

Pham, Ngoc; Papavassiliou, Dimitrios

2014-03-01

In this study, transport behavior of nanoparticles under different pore surface conditions of consolidated Berea sandstone is numerically investigated. Micro-CT scanning technique is applied to obtain 3D grayscale images of the rock sample geometry. Quantitative characterization, which is based on image analysis is done to obtain physical properties of the pore network, such as the pore size distribution and the type of each pore (dead-end, isolated, and fully connected pore). Transport of water through the rock is simulated by employing a 3D lattice Boltzmann method. The trajectories of nanopaticles moving under convection in the simulated flow field and due to molecular diffusion are monitored in the Lagrangian framework. It is assumed in the model that the particle adsorption on the pore surface, which is modeled as a pseudo-first order adsorption, is the only factor hindering particle propagation. The effect of pore surface heterogeneity to the particle breakthrough is considered, and the role of particle radial diffusion is also addressed in details. The financial support of the Advanced Energy Consortium (AEC BEG08-022) and the computational support of XSEDE (CTS090017) are acknowledged.

Influence of the Location of Attractive Polymer-Pore Interactions on Translocation Dynamics.

PubMed

Ghosh, Bappa; Chaudhury, Srabanti

2018-01-11

We probe the influence of polymer-pore interactions on the translocation dynamics using Langevin dynamics simulations. We investigate the effect of the strength and location of the polymer-pore interaction using nanopores that are partially charged either at the entry or the exit or on both sides of the pore. We study the change in the translocation time as a function of the strength of the polymer-pore interaction for a given chain length and under the effect of an externally applied field. Under a moderate driving force and a chain length longer than the length of the pore, the translocation time shows a nonmonotonic increase with an increase in the attractive interaction. Also, an interaction on the cis side of the pore can increase the translocation probability. In the presence of an external field and a strong attractive force, the translocation time for shorter chains is independent of the polymer-pore interaction at the entry side of the pore, whereas an interaction on the trans side dominates the translocation process. Our simulation results are rationalized by a qualitative analysis of the free energy landscape for polymer translocation.

[Matrimonial radius and anthropologic differentiation of the population of the Peloponnese, Greece].

PubMed

Pitsios, T K

1983-09-01

Mean matrimonial radius (MMR) and mean breeding radius (MBR) were studied in the population of the Peloponnese (Greece). The historical and geographical causes of these important genetical variables are discussed considering, too, their effects on the anthropological differentiation of this population.

Polarity control at interfaces: Quantifying pseudo-solvent effects in nano-confined systems

DOE PAGES

Singappuli-Arachchige, Dilini; Manzano, J. Sebastian; Sherman, Lindy M.; ...

2016-08-02

Surface functionalization controls local environments and induces solvent-like effects at liquid–solid interfaces. We explored structure–property relationships between organic groups bound to pore surfaces of mesoporous silica nanoparticles and Stokes shifts of the adsorbed solvatochromic dye Prodan. Correlating shifts of the dye on the surfaces with its shifts in solvents resulted in a local polarity scale for functionalized pores. The scale was validated by studying the effects of pore polarity on quenching of Nile Red fluorescence and on the vibronic band structure of pyrene. Measurements were done in aqueous suspensions of porous particles, proving that the dielectric properties in the poresmore » are different from the bulk solvent. The precise control of pore polarity was used to enhance the catalytic activity of TEMPO in the aerobic oxidation of furfuryl alcohol in water. Furthermore, an inverse relationship was found between pore polarity and activity of TEMPO in the pores, demonstrating that controlling the local polarity around an active site allows modulating the activity of nanoconfined catalysts.« less

Multi-scale Pore Imaging Techniques to Characterise Heterogeneity Effects on Flow in Carbonate Rock

NASA Astrophysics Data System (ADS)

Shah, S. M.

2017-12-01

Digital rock analysis and pore-scale studies have become an essential tool in the oil and gas industry to understand and predict the petrophysical and multiphase flow properties for the assessment and exploitation of hydrocarbon reserves. Carbonate reservoirs, accounting for majority of the world's hydrocarbon reserves, are well known for their heterogeneity and multiscale pore characteristics. The pore sizes in carbonate rock can vary over orders of magnitudes, the geometry and topology parameters of pores at different scales have a great impact on flow properties. A pore-scale study is often comprised of two key procedures: 3D pore-scale imaging and numerical modelling techniques. The fundamental problem in pore-scale imaging and modelling is how to represent and model the different range of scales encountered in porous media, from the pore-scale to macroscopic petrophysical and multiphase flow properties. However, due to the restrictions of image size vs. resolution, the desired detail is rarely captured at the relevant length scales using any single imaging technique. Similarly, direct simulations of transport properties in heterogeneous rocks with broad pore size distributions are prohibitively expensive computationally. In this study, we present the advances and review the practical limitation of different imaging techniques varying from core-scale (1mm) using Medical Computed Tomography (CT) to pore-scale (10nm - 50µm) using Micro-CT, Confocal Laser Scanning Microscopy (CLSM) and Focussed Ion Beam (FIB) to characterise the complex pore structure in Ketton carbonate rock. The effect of pore structure and connectivity on the flow properties is investigated using the obtained pore scale images of Ketton carbonate using Pore Network and Lattice-Boltzmann simulation methods in comparison with experimental data. We also shed new light on the existence and size of the Representative Element of Volume (REV) capturing the different scales of heterogeneity from the pore-scale imaging.

Effect of Plate Curvature on Blast Response of Structural Steel Plates

NASA Astrophysics Data System (ADS)

Veeredhi, Lakshmi Shireen Banu; Ramana Rao, N. V.; Veeredhi, Vasudeva Rao

2018-04-01

In the present work an attempt is made, through simulation studies, to determine the effect of plate curvature on the blast response of a door structure made of ASTM A515 grade 50 steel plates. A door structure with dimensions of 5.142 m × 2.56 m × 10 mm having six different radii of curvatures is analyzed which is subjected to blast load. The radii of curvature investigated are infinity (flat plate), 16.63, 10.81, 8.26, 6.61 and 5.56 m. In the present study, a stand-off distance of 11 m is considered for all the cases. Results showed that the door structure with smallest radius of curvature experienced least plastic deformation and yielding when compared to a door with larger radius of curvature with same projected area. From the present Investigation, it is observed that, as the radius of curvature of the plate increases, the deformation mode gradually shifts from indentation mode to flexural mode. The plates with infinity and 16.63 m radius of curvature have undergone flexural mode of deformation and plates with 6.61 and 5.56 m radius of curvature undergo indentation mode of deformation. Whereas, mixed mode of deformation that consists of both flexural and indentation mode of deformations are seen in the plates with radius of curvature 10.81 and 8.26 m. As the radius of curvature of the plate decreases the ability of the plate to mitigate the effect the blast loads increased. It is observed that the plate with smaller radius of curvature deflects most of the blast energy and results in least indentation mode of deformation. The most significant observation made in the present investigation is that the strain energy absorbed by the steel plate gets reduced to 1/3 rd when the radius of curvature is approximately equal to the stand-off distance which could be the critical radius of curvature.

A refined model of claudin-15 tight junction paracellular architecture by molecular dynamics simulations

PubMed Central

Alberini, Giulio; Benfenati, Fabio

2017-01-01

Tight-junctions between epithelial cells of biological barriers are specialized molecular structures that regulate the flux of solutes across the barrier, parallel to cell walls. The tight-junction backbone is made of strands of transmembrane proteins from the claudin family, but the molecular mechanism of its function is still not completely understood. Recently, the crystal structure of a mammalian claudin-15 was reported, displaying for the first time the detailed features of transmembrane and extracellular domains. Successively, a structural model of claudin-15-based paracellular channels has been proposed, suggesting a putative assembly that illustrates how claudins associate in the same cell (via cis interactions) and across adjacent cells (via trans interactions). Although very promising, the model offers only a static conformation, with residues missing in the most important extracellular regions and potential steric clashes. Here we present detailed atomic models of paracellular single and double pore architectures, obtained from the putative assembly and refined via structural modeling and all-atom molecular dynamics simulations in double membrane bilayer and water environment. Our results show an overall stable configuration of the complex with a fluctuating pore size. Extracellular residue loops in trans interaction are able to form stable contacts and regulate the size of the pore, which displays a stationary radius of 2.5–3.0 Å at the narrowest region. The side-by-side interactions of the cis configuration are preserved via stable hydrogen bonds, already predicted by cysteine crosslinking experiments. Overall, this work introduces an improved version of the claudin-15-based paracellular channel model that strengthens its validity and that can be used in further computational studies to understand the structural features of tight-junctions regulation. PMID:28863193

Hydration-dependent dynamics of water in calcium-silicate-hydrate: A QENS study by global model.

PubMed

Le, Peisi; Fratini, Emiliano; Chen, Sow-Hsin

2018-02-02

In a saturated cement paste, there are three different types of water: the structural water chemically reacted with cement, the constrained water absorbed to the surface of the pores, and the free water in the center of the pores. Each type has different physicochemical state and unique relation to cement porosity. The different water types have different dynamics which can be detected using quasi-elastic neutron scattering (QENS). Since the porosity of a hardened cement paste is impacted strongly by the water to cement ratio (w/c), it should be possible to extract the hydration dependence of the pores by exploiting the dynamical parameters of the confined water. Three C-S-H samples with different water levels, 8%, 17% and 30% were measured using QENS. The measurements were carried out in the scattering vector, Q, range from 0.5 Å -1 to 1.3 Å -1 , and in the temperature interval from 230 K to 280 K. The data were analyzed using a novel global model developed for cement QENS spectra. The results show that while increasing the water content, the structural water index (SWI) decreases and the confining radius, a, increases. Both SWI and a have a linear relationship with the water content. The Arrhenius plot of the translational relaxation time shows that the constrained water dominates the non-structural water at water contents lower than 17%. The rotational activation energy is smaller for lower water content. The analysis demonstrated that our newly proposed global model is practical and useful for analyzing cement QENS data. Copyright © 2018 Elsevier B.V. All rights reserved.

Effect of microstructure and notch root radius on fracture toughness of an aluminum metal matrix composite

NASA Technical Reports Server (NTRS)

Manoharan, M.; Lewandowski, J. J.

1989-01-01

Recent results on the effects of matrix aging condition (matrix temper) and notch root radius on the measured fracture toughness of a SiC particulate reinforced aluminum alloy are reviewed. Stress intensity factors at catastrophic fracture were obtained for both underaged and overaged composites reveal. The linear relation found between apparent fracture toughness and the square root of the notch root radius implies a linear dependence of the crack opening displacement on the notch root radius. The results suggest a strain controlled fracture process, and indicate that there are differences in the fracture micromechanisms of the two aging conditions.

Significant Effect of Pore Sizes on Energy Storage in Nanoporous Carbon Supercapacitors.

PubMed

Young, Christine; Lin, Jianjian; Wang, Jie; Ding, Bing; Zhang, Xiaogang; Alshehri, Saad M; Ahamad, Tansir; Salunkhe, Rahul R; Hossain, Shahriar A; Khan, Junayet Hossain; Ide, Yusuke; Kim, Jeonghun; Henzie, Joel; Wu, Kevin C-W; Kobayashi, Naoya; Yamauchi, Yusuke

2018-04-20

Mesoporous carbon can be synthesized with good control of surface area, pore-size distribution, and porous architecture. Although the relationship between porosity and supercapacitor performance is well known, there are no thorough reports that compare the performance of numerous types of carbon samples side by side. In this manuscript, we describe the performance of 13 porous carbon samples in supercapacitor devices. We suggest that there is a "critical pore size" at which guest molecules can pass through the pores effectively. In this context, the specific surface area (SSA) and pore-size distribution (PSD) are used to show the point at which the pore size crosses the threshold of critical size. These measurements provide a guide for the development of new kinds of carbon materials for supercapacitor devices. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerical Modeling of Fluid Flow in Solid Tumors

PubMed Central

Soltani, M.; Chen, P.

2011-01-01

A mathematical model of interstitial fluid flow is developed, based on the application of the governing equations for fluid flow, i.e., the conservation laws for mass and momentum, to physiological systems containing solid tumors. The discretized form of the governing equations, with appropriate boundary conditions, is developed for a predefined tumor geometry. The interstitial fluid pressure and velocity are calculated using a numerical method, element based finite volume. Simulations of interstitial fluid transport in a homogeneous solid tumor demonstrate that, in a uniformly perfused tumor, i.e., one with no necrotic region, because of the interstitial pressure distribution, the distribution of drug particles is non-uniform. Pressure distribution for different values of necrotic radii is examined and two new parameters, the critical tumor radius and critical necrotic radius, are defined. Simulation results show that: 1) tumor radii have a critical size. Below this size, the maximum interstitial fluid pressure is less than what is generally considered to be effective pressure (a parameter determined by vascular pressure, plasma osmotic pressure, and interstitial osmotic pressure). Above this size, the maximum interstitial fluid pressure is equal to effective pressure. As a consequence, drugs transport to the center of smaller tumors is much easier than transport to the center of a tumor whose radius is greater than the critical tumor radius; 2) there is a critical necrotic radius, below which the interstitial fluid pressure at the tumor center is at its maximum value. If the tumor radius is greater than the critical tumor radius, this maximum pressure is equal to effective pressure. Above this critical necrotic radius, the interstitial fluid pressure at the tumor center is below effective pressure. In specific ranges of these critical sizes, drug amount and therefore therapeutic effects are higher because the opposing force, interstitial fluid pressure, is low in these ranges. PMID:21673952

The effect of ethylene glycol on pore arrangement of anodic aluminium oxide prepared by hard anodization.

PubMed

Guo, Yang; Zhang, Li; Han, Mangui; Wang, Xin; Xie, Jianliang; Deng, Longjiang

2018-03-01

The influence of the addition of ethylene glycol (EG) on the pore self-ordering process in anodic aluminium oxide (AAO) membranes prepared by hard anodization (HA) was investigated. It was illustrated that EG has a substantial effect on the pore arrangement of AAO, and it was found that a smaller pore size can be obtained with an EG concentration reaching 20 wt% in aqueous electrolyte. The number of estimated defects of AAO increases significantly with an increase in EG concentration to 50 wt%. Excellent ordering of pores was realized when the samples were anodized in the 30 wt%-EG-containing aqueous electrolyte.

The effect of ethylene glycol on pore arrangement of anodic aluminium oxide prepared by hard anodization

PubMed Central

Zhang, Li; Han, Mangui; Wang, Xin; Xie, Jianliang; Deng, Longjiang

2018-01-01

The influence of the addition of ethylene glycol (EG) on the pore self-ordering process in anodic aluminium oxide (AAO) membranes prepared by hard anodization (HA) was investigated. It was illustrated that EG has a substantial effect on the pore arrangement of AAO, and it was found that a smaller pore size can be obtained with an EG concentration reaching 20 wt% in aqueous electrolyte. The number of estimated defects of AAO increases significantly with an increase in EG concentration to 50 wt%. Excellent ordering of pores was realized when the samples were anodized in the 30 wt%-EG-containing aqueous electrolyte. PMID:29657754

The influence of pore formers on the microstructure of plasma-sprayed NiO-YSZ anodes

NASA Astrophysics Data System (ADS)

Poon, Michael; Kesler, Olivera

2012-07-01

Four types of pore formers: high-density polyethylene (HDPE), polyether-ether-ketone (PEEK), mesocarbon-microbead (MCMB) carbon powder, and baking flour, are processed and characterized, then incorporated with NiO-YSZ nano-agglomerate powder to produce plasma sprayed SOFC anode coatings. Scanning electron microscopy (SEM) of the coating microstructure, gas permeability measurements, and porosity determinations by image analysis are used to evaluate the effectiveness of each potential pore former powder. Under the spray conditions studied, the flour and MCMB pore former powders are effective as plasma sprayed pore formers, increasing the permeability of the coatings by factors of four and two, respectively, compared to a similarly sprayed NiO-YSZ coating without pore formers. The HDPE powder is unable to survive the plasma spray process and does not contribute to the final coating porosity. The PEEK pore former, though ineffective with the current powder characteristics and spray parameters, exhibits the highest relative deposition efficiency and the most favorable thermal characteristics.

Hydrodeoxygenation of heavy oils derived from low-temperature coal gasification over NiW catalysts-effect of pore structure

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

Dieter Leckel

2008-01-15

The effect of the pore structure on the hydroprocessing of heavy distillate oils derived from low-temperature coal gasification residues was studied using four NiW catalysts with different pore size distributions. The hydroprocessing was conducted at a pressure of 17.5 MPa, a temperature range of 370-410{sup o}C, and a 0.50 h{sup -1} space velocity. The degree of hydrodeoxygenation (HDO) in terms of phenolics removal was influenced by the catalyst pore structure, with the most preferable peak pore diameter for HDO ranging between 6.8 and 16 nm. The catalyst with the highest volume of pores in the 3.5-6 nm range showed themore » lowest HDO activity. The apparent activation energies for the HDO reaction varied between 59 and 87 kJ/mol, whereby the lowest values are obtained for the catalysts with a peak pore diameter of 11 and 16 nm. 30 refs., 5 figs., 6 tabs.« less

Effects of pore formers on microstructure and performance of cathode membranes for solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Nie, Lifang; Liu, Juncheng; Zhang, Yujun; Liu, Meilin

La 0.6Sr 0.4Co 0.2Fe 0.8O 3- δ (LSCF) is the most widely used cathode material for intermediate temperature solid oxide fuel cells. In the present communication, porous LSCF cathodes are fabricated by tape casting, a low-cost and reproducible fabrication process. The effects of four different pore formers, namely, graphite, carbon black, rice starch, and corn starch, on the microstructure and electrochemical performance of the LSCF cathode are investigated. Examination of the microstructures reveals that the shape of the pores, the pore size, and the pore distribution in the final ceramic are related to the type of pore formers. Impedance analysis and cell testing show that the best performance is obtained from the cathode using graphite as the pore former. The microstructure indicates that graphite results in a porous LSCF cathode with a large surface area and high porosity, which can offer a considerably long triple phase boundary for catalytic reactions as well as channels for gas phase transport.

Modeling of the capillary wicking of flax fibers by considering the effects of fiber swelling and liquid absorption.

PubMed

Testoni, Guilherme Apolinario; Kim, Sihwan; Pisupati, Anurag; Park, Chung Hae

2018-09-01

We propose a new model for the capillary rise of liquid in flax fibers whose diameter is changed by liquid absorption. Liquid absorption into the flax fibers is taken into account in a new modified Washburn equation by considering the mass of the liquid absorbed inside the fibers as well as that imbibed between the fibers. The change of permeability and hydraulic radius of pores in a fibrous medium due to the fiber swelling is modeled by a statistical approach considering a non-uniform distribution of flax fiber diameter. By comparisons between capillary rise test results and modeling results, we prove the validity of the proposed modified Washburn model to take into account the effects from fiber swelling and liquid absorption on the decrease of capillary rise velocity. The experimental observation of long-term capillary rise tests show that the swelling behavior of the fibers highly packed in a closed volume and its influence on the capillary wicking are different from those of an individual single fiber in a free space. The current approach was useful to characterize the swelling of fibers highly packed in a closed volume and its influence of the long-term behavior of capillary wicking. Copyright © 2018 Elsevier Inc. All rights reserved.

Pore formation and pore closure in poly(D,L-lactide-co-glycolide) films.

PubMed

Fredenberg, Susanne; Wahlgren, Marie; Reslow, Mats; Axelsson, Anders

2011-03-10

Pore formation and pore closure in poly(D,L-lactide-co-glycolide)-based drug delivery systems are two important processes as they control the release of the encapsulated drug. The phenomenon pore closure was investigated by studying the effects of the pH and the temperature of the release medium, and the properties of the polymer. Poly(D,L-lactide-co-glycolide) (PLG) films were subjected to a pore forming pre-treatment, and then pore closure was observed simultaneously with changes in glass transition temperature, wettability (contact angle), water absorption and mass remaining. To further understand the effect of pH, combined pore formation and pore closure were studied at different pH values. Pore closure was increased in a release medium with low pH, with a low-molecular-weight PLG of relatively low degree of hydrophobicity, or at high temperature. Pore closure occurred by two different mechanisms, one based on polymer-polymer interactions and one on polymer-water interactions. The mobility of the PLG chains also played an important role. The surface of the PLG films were more porous at pH 5-6 than at lower or higher pH, as pore formation was relatively fast and pore closure were less pronounced in this pH range. The pH had a significant impact on the porous structure, which should be kept in mind when evaluating experimental results, as the pH may be significantly decreased in vitro, in vivo and in situ. The results also show that the initial porosity is very important when using a high-molecular-weight PLG. Copyright © 2010 Elsevier B.V. All rights reserved.

Saturation-dependent solute dispersivity in porous media: Pore-scale processes

NASA Astrophysics Data System (ADS)

Raoof, A.; Hassanizadeh, S. M.

2013-04-01

It is known that in variably saturated porous media, dispersion coefficient depends on Darcy velocity and water saturation. In one-dimensional flow, it is commonly assumed that the dispersion coefficient is a linear function of velocity. The coefficient of proportionality, called the dispersivity, is considered to depend on saturation. However, there is not much known about its dependence on saturation. In this study, we investigate, using a pore network model, how the longitudinal dispersivity varies nonlinearly with saturation. We schematize the porous medium as a network of pore bodies and pore throats with finite volumes. The pore space is modeled using the multidirectional pore-network concept, which allows for a distribution of pore coordination numbers. This topological property together with the distribution of pore sizes are used to mimic the microstructure of real porous media. The dispersivity is calculated by solving the mass balance equations for solute concentration in all network elements and averaging the concentrations over a large number of pores. We have introduced a new formulation of solute transport within pore space, where we account for different compartments of residual water within drained pores. This formulation makes it possible to capture the effect of limited mixing due to partial filling of the pores under variably saturated conditions. We found that dispersivity increases with the decrease in saturation, it reaches a maximum value, and then decreases with further decrease in saturation. To show the capability of our formulation to properly capture the effect of saturation on solute dispersion, we applied it to model the results of a reported experimental study.

Pore-network model of evaporation-induced salt precipitation in porous media: The effect of correlations and heterogeneity

NASA Astrophysics Data System (ADS)

Dashtian, Hassan; Shokri, Nima; Sahimi, Muhammad

2018-02-01

Salt transport and precipitation in porous media constitute a set of complex and fascinating phenomena that are of considerable interest to several important problems, ranging from storage of CO2 in geological formations, to soil fertility, and protection of pavements and roads, as well as historical monuments. The phenomena occur at the pore scale and are greatly influenced by the heterogeneity of the pore space morphology. We present a pore-network (PN) model to study the phenomena. Vapor diffusion, capillary effect at the brine-vapor interface, flow of brine, and transport of salt and its precipitation in the pores that plug the pores partially or completely are all accounted for. The drying process is modeled by the invasion percolation, while transport of salt in brine is accounted for by the convective-diffusion equation. We demonstrate that the drying patterns, the clustering and connectivity of the pore throats in which salt precipitation occurs, the saturation distribution, and the drying rate are all strongly dependent upon the pore-size distribution, the correlations among the pore sizes, and the anisotropy of the pore space caused by stratification that most natural porous media contain. In particular, if the strata are more or less parallel to the direction of injection of the gas that dries out the pore space (air, for example) and/or causes salt precipitation (CO2, for example), the drying rate increases significantly. Moreover, salt tends to precipitate in clusters of neighboring pores that are parallel to the open surface of the porous medium.

Molecular Dynamics Studies of Polyethylene Oxide and Polyethylene Glycol: Hydrodynamic Radius and Shape Anisotropy

PubMed Central

Lee, Hwankyu; Venable, Richard M.; MacKerell, Alexander D.; Pastor, Richard W.

2008-01-01

A revision (C35r) to the CHARMM ether force field is shown to reproduce experimentally observed conformational populations of dimethoxyethane. Molecular dynamics simulations of 9, 18, 27, and 36-mers of polyethylene oxide (PEO) and 27-mers of polyethylene glycol (PEG) in water based on C35r yield a persistence length λ = 3.7 Å, in quantitative agreement with experimentally obtained values of 3.7 Å for PEO and 3.8 Å for PEG; agreement with experimental values for hydrodynamic radii of comparably sized PEG is also excellent. The exponent υ relating the radius of gyration and molecular weight (\\documentclass[10pt]{article} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{pmc} \\usepackage[Euler]{upgreek} \\pagestyle{empty} \\oddsidemargin -1.0in \\begin{document} \\begin{equation*}R_{{\\mathrm{g}}}{\\propto}M_{{\\mathrm{w}}}^{{\\upsilon}}\\end{equation*}\\end{document}) of PEO from the simulations equals 0.515 ± 0.023, consistent with experimental observations that low molecular weight PEG behaves as an ideal chain. The shape anisotropy of hydrated PEO is 2.59:1.44:1.00. The dimension of the middle length for each of the polymers nearly equals the hydrodynamic radius \\documentclass[10pt]{article} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{pmc} \\usepackage[Euler]{upgreek} \\pagestyle{empty} \\oddsidemargin -1.0in \\begin{document} \\begin{equation*}R_{{\\mathrm{h}}}\\end{equation*}\\end{document}obtained from diffusion measurements in solution. This explains the correspondence of \\documentclass[10pt]{article} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{pmc} \\usepackage[Euler]{upgreek} \\pagestyle{empty} \\oddsidemargin -1.0in \\begin{document} \\begin{equation*}R_{{\\mathrm{h}}}\\end{equation*}\\end{document} and \\documentclass[10pt]{article} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{pmc} \\usepackage[Euler]{upgreek} \\pagestyle{empty} \\oddsidemargin -1.0in \\begin{document} \\begin{equation*}R_{{\\mathrm{p}}},\\end{equation*}\\end{document} the pore radius of membrane channels: a polymer such as PEG diffuses with its long axis parallel to the membrane channel, and passes through the channel without substantial distortion. PMID:18456821

Effects of leachate concentration on the integrity of solidified clay liners.

PubMed

Xue, Qiang; Zhang, Qian

2014-03-01

This study aimed to evaluate the impact of landfill leachate concentration on the degradation behaviour of solidified clay liners and to propose a viable mechanism for the observed degradation. The results indicated that the unconfined compressive strength of the solidified clay decreased significantly, while the hydraulic conductivity increased with the leachate concentration. The large pore proportion in the solidified clay increased and the sum of medium and micro pore proportions decreased, demonstrating that the effect on the solidified clay was evident after the degradation caused by exposure to landfill leachate. The unconfined compressive strength of the solidified clay decreased with increasing leachate concentration as the leachate changed the compact structure of the solidified clay, which are prone to deformation and fracture. The hydraulic conductivity and the large pore proportion of the solidified clay increased with the increase in leachate concentration. In contrast, the sum of medium and micro pore proportions showed an opposite trend in relation to leachate concentration, because the leachate gradually caused the medium and micro pores to form larger pores. Notably, higher leachate concentrations resulted in a much more distinctive variation in pore proportions. The hydraulic conductivity of the solidified clay was closely related to the size, distribution, and connection of pores. The proportion of the large pores showed a positive correlation with the increase of hydraulic conductivity, while the sum of the proportions of medium and micro pores showed a negative correlation.

Effective Thermal Conductivity of an Aluminum Foam + Water Two Phase System

NASA Technical Reports Server (NTRS)

Moskito, John

1996-01-01

This study examined the effect of volume fraction and pore size on the effective thermal conductivity of an aluminum foam and water system. Nine specimens of aluminum foam representing a matrix of three volume fractions (4-8% by vol.) and three pore sizes (2-4 mm) were tested with water to determine relationships to the effective thermal conductivity. It was determined that increases in volume fraction of the aluminum phase were correlated to increases in the effective thermal conductivity. It was not statistically possible to prove that changes in pore size of the aluminum foam correlated to changes in the effective thermal conductivity. However, interaction effects between the volume fraction and pore size of the foam were statistically significant. Ten theoretical models were selected from the published literature to compare against the experimental data. Models by Asaad, Hadley, and de Vries provided effective thermal conductivity predictions within a 95% confidence interval.

Effects of pore topology and iron oxide core on doxorubicin loading and release from mesoporous silica nanoparticles

NASA Astrophysics Data System (ADS)

Ronhovde, Cicily J.; Baer, John; Larsen, Sarah C.

2017-06-01

Mesoporous silica nanoparticles (MSNs) have a network of pores that give rise to extremely high specific surface areas, making them attractive materials for applications such as adsorption and drug delivery. The pore topology can be readily tuned to achieve a variety of structures such as the hexagonally ordered Mobil Crystalline Material 41 (MCM-41) and the disordered "wormhole" (WO) mesoporous silica (MS) structure. In this work, the effects of pore topology and iron oxide core on doxorubicin loading and release were investigated using MSNs with pore diameters of approximately 3 nm and sub-100 nm particle diameters. The nanoparticles were loaded with doxorubicin, and the drug release into phosphate-buffered saline (PBS, 10 mM, pH 7.4) at 37 °C was monitored by fluorescence spectroscopy. The release profiles were fit using the Peppas model. The results indicated diffusion-controlled release for all samples. Statistically significant differences were observed in the kinetic host-guest parameters for each sample due to the different pore topologies and the inclusion of an iron oxide core. Applying a static magnetic field to the iron oxide core WO-MS shell materials did not have a significant impact on the doxorubicin release. This is the first time that the effects of pore topology and iron oxide core have been isolated from pore diameter and particle size for these materials.

Carbon Dioxide Sealing Capacity: Textural or Compositional Controls?

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

Cranganu, Constantin; Soleymani, Hamidreza; Sadiqua, Soleymani

2013-11-30

This research project is aiming to assess the carbon dioxide sealing capacity of most common seal-rocks, such as shales and non-fractured limestones, by analyzing the role of textural and compositional parameters of those rocks. We hypothesize that sealing capacity is controlled by textural and/or compositional pa-rameters of caprocks. In this research, we seek to evaluate the importance of textural and compositional parameters affecting the sealing capacity of caprocks. The conceptu-al framework involves two testable end-member hypotheses concerning the sealing ca-pacity of carbon dioxide reservoir caprocks. Better understanding of the elements controlling sealing quality will advance our knowledge regarding the sealingmore » capacity of shales and carbonates. Due to relatively low permeability, shale and non-fractured carbonate units are considered relatively imper-meable formations which can retard reservoir fluid flow by forming high capillary pres-sure. Similarly, these unites can constitute reliable seals for carbon dioxide capture and sequestration purposes. This project is a part of the comprehensive project with the final aim of studying the caprock sealing properties and the relationship between microscopic and macroscopic characteristics of seal rocks in depleted gas fields of Oklahoma Pan-handle. Through this study we examined various seal rock characteristics to infer about their respective effects on sealing capacity in special case of replacing reservoir fluid with super critical carbon dioxide (scCO{sub 2}). To assess the effect of textural and compositional properties on scCO{sub 2} maximum reten-tion column height we collected 30 representative core samples in caprock formations in three counties (Cimarron, Texas, Beaver) in Oklahoma Panhandle. Core samples were collected from various seal formations (e.g., Cherokee, Keys, Morrowan) at different depths. We studied the compositional and textural properties of the core samples using several techniques. Mercury Injection Porosimetry (MIP), Scanning Electron Microsco-py SEM, and Sedigraph measurements are used to assess the pore-throat-size distribu-tion, sorting, texture, and grain size of the samples. Also, displacement pressure at 10% mercury saturation (Pd) and graphically derived threshold pressure (Pc) were deter-mined by MIP technique. SEM images were used for qualitative study of the minerals and pores texture of the core samples. Moreover, EDS (Energy Dispersive X-Ray Spec-trometer), BET specific surface area, and Total Organic Carbon (TOC) measurements were performed to study various parameters and their possible effects on sealing capaci-ty of the samples. We found that shales have the relatively higher average sealing threshold pressure (Pc) than carbonate and sandstone samples. Based on these observations, shale formations could be considered as a promising caprock in terms of retarding scCO{sub 2} flow and leak-age into above formations. We hypothesized that certain characteristics of shales (e.g., 3 fine pore size, pore size distribution, high specific surface area, and strong physical chemical interaction between wetting phase and mineral surface) make them an effi-cient caprock for sealing super critical CO{sub 2}. We found that the displacement pressure at 10% mercury saturation could not be the ultimate representative of the sealing capacity of the rock sample. On the other hand, we believe that graphical method, introduced by Cranganu (2004) is a better indicator of the true sealing capacity. Based on statistical analysis of our samples from Oklahoma Panhandle we assessed the effects of each group of properties (textural and compositional) on maximum supercriti-cal CO{sub 2} height that can be hold by the caprock. We conclude that there is a relatively strong positive relationship (+.40 to +.69) between supercritical CO{sub 2} column height based on Pc and hard/ soft mineral content index (ratio of minerals with Mohs hardness more than 5 over minerals with Mohs hardness less than 5) in both shales and limestone samples. Average median pore radius and porosity display a strong negative correlation with supercritical CO{sub 2} retention column height. Also, increasing bulk density is positive-ly correlated with the supercritical CO{sub 2} retention column height. One of the most im-portant factors affecting sealing capacity and consequently the height of supercritical CO{sub 2} column is sorting of the pore throats. We observed a strong positive correlation be-tween pore throat sorting and height of CO{sub 2} retention column, especially in shales. This correlation could not be observed in limestone samples. It suggests that the pore throat sorting is more controlling the sealing capacity in shales and shales with well sorted pore throats are the most reliable lithology as seal. We observed that Brunauer–Emmett–Teller (BET) surface area shows a very strong correlation with CO{sub 2} retention column height in limestone samples while BET surface area did not display significant correlation in shales. Pore structure based on SEM mi-crographs exhibits strong correlation with CO{sub 2} retention column height in limestones. Both intercrystalline and vuggy structures have negative correlations while intergranu-lar texture has positive correlation in limestone with respect to CO{sub 2} retention column height. Textural effects observed on SEM micrographs did not show statistically signifi-cant correlation with supercritical CO{sub 2} retention column height in shale samples. Finally, we showed that increasing hard/soft mineral index is strongly correlated with the displacement pressure in limestone samples. Vuggy texture displays a relatively strong and negative correlation with displacement pressure values at 10% mercury satu-ration in shale samples.« less

Surface sealing using self-assembled monolayers and its effect on metal diffusion in porous low-k dielectrics studied using monoenergetic positron beams

NASA Astrophysics Data System (ADS)

Uedono, Akira; Armini, Silvia; Zhang, Yu; Kakizaki, Takeaki; Krause-Rehberg, Reinhard; Anwand, Wolfgang; Wagner, Andreas

2016-04-01

Surface sealing effects on the diffusion of metal atoms in porous organosilicate glass (OSG) films were studied by monoenergetic positron beams. For a Cu(5 nm)/MnN(3 nm)/OSG(130 nm) sample fabricated with pore stuffing, C4F8 plasma etch, unstuffing, and a self-assembled monolayer (SAM) sealing process, it was found that pores with cubic pore side lengths of 1.1 and 3.1 nm coexisted in the OSG film. For the sample without the SAM sealing process, metal (Cu and Mn) atoms diffused from the top Cu/MnN layer into the OSG film and were trapped by the pores. As a result, almost all pore interiors were covered with those metals. For the sample damaged by an Ar/C4F8 plasma etch treatment before the SAM sealing process, SAMs diffused into the OSG film, and they were preferentially trapped by larger pores. The cubic pore side length in these pores containing self-assembled molecules was estimated to be 0.7 nm. Through this work, we have demonstrated that monoenergetic positron beams are a powerful tool for characterizing capped porous films and the trapping of atoms and molecules by pores.

Clinical and Histological Evaluations of Enlarged Facial Skin Pores After Low Energy Level Treatments With Fractional Carbon Dioxide Laser in Korean Patients.

PubMed

Kwon, Hyuck Hoon; Choi, Sun Chul; Lee, Won-Yong; Jung, Jae Yoon; Park, Gyeong-Hun

2018-03-01

Enlarged facial pores can be an early manifestation of skin aging and they are a common aesthetic concern for Asians. However, studies of improving the appearance of enlarged pores have been limited. The authors aimed to study the application of CO2 fractional laser treatment in patients with enlarged facial pores. A total of 32 patients with dilated facial pores completed 3 consecutive sessions of low energy level treatments with a fractional CO2 laser at 4-week intervals. Image analysis was performed to calculate the number of enlarged pores before each treatment session and 12 weeks after the final treatment. After application of laser treatments, there was a significant decrease in the number of enlarged pores. The mean number of enlarged pores was decreased by 28.8% after the second session and by 54.5% at post-treatment evaluation. Post-treatment side effects were mild and transitory. Histological and immunohistochemical analyses demonstrated clear increases in the number of collagen fibers and the expression of transforming growth factor-β1. The short-term results showed that treatment with low energy level CO2 fractional laser therapy could be a safe and effective option for patients with Fitzpatrick skin Types III and IV who are concerned with enlarged pores.

A novel method to measure conspicuous facial pores using computer analysis of digital-camera-captured images: the effect of glycolic acid chemical peeling.

PubMed

Kakudo, Natsuko; Kushida, Satoshi; Tanaka, Nobuko; Minakata, Tatsuya; Suzuki, Kenji; Kusumoto, Kenji

2011-11-01

Chemical peeling is becoming increasingly popular for skin rejuvenation in dermatological esthetic surgery. Conspicuous facial pores are one of the most frequently encountered skin problems in women of all ages. This study was performed to analyze the effectiveness of reducing conspicuous facial pores using glycolic acid chemical peeling (GACP) based on a novel computer analysis of digital-camera-captured images. GACP was performed a total of five times at 2-week intervals in 22 healthy women. Computerized image analysis of conspicuous, open, and darkened facial pores was performed using the Robo Skin Analyzer CS 50. The number of conspicuous facial pores decreased significantly in 19 (86%) of the 22 subjects, with a mean improvement rate of 34.6%. The number of open pores decreased significantly in 16 (72%) of the subjects, with a mean improvement rate of 11.0%. The number of darkened pores decreased significantly in 18 (81%) of the subjects, with a mean improvement rate of 34.3%. GACP significantly reduces the number of conspicuous facial pores. The Robo Skin Analyzer CS 50 is useful for the quantification and analysis of 'pore enlargement', a subtle finding in dermatological esthetic surgery. © 2011 John Wiley & Sons A/S.

Charge radius of the 13N* proton halo nucleus with Halo Effective Field Theory

NASA Astrophysics Data System (ADS)

Mosavi Khansari, M.; Khalili, H.; Sadeghi, H.

2018-02-01

We evaluated the charge radius of the first excited state of 13N with halo Effective Field Theory (hEFT) at the low energies. The halo effective field theory without pion is used to examine the halo nucleus bound state with a large S-wave scattering length. We built Lagrangian from the effective core and the valence proton of the fields and obtained the charge form factor at Leading-Order (LO). The charge radius at leading order for the first excited state of the proton halo nucleus, 13N, has been estimated as rc = 2.52 fm. This result is without any finite-size contributions included from the core and the proton. If we consider the contributions of the charge radius of the proton and the core, the result will be [rC]13N* = 5.85 fm.

Carbon nanotube (CNT) and nanofibrillated cellulose (NFC) reinforcement effect on thermoplastic polyurethane (TPU) scaffolds fabricated via phase separation using dimethyl sulfoxide (DMSO) as solvent.

PubMed

Mi, Hao-Yang; Jing, Xin; Salick, Max R; Cordie, Travis M; Turng, Lih-Sheng

2016-09-01

Although phase separation is a simple method of preparing tissue engineering scaffolds, it suffers from organic solvent residual in the scaffold. Searching for nontoxic solvents and developing effective solvent removal methods are current challenges in scaffold fabrication. In this study, thermoplastic polyurethane (TPU) scaffolds containing carbon nanotubes (CNTs) or nanofibrillated cellulose fibers (NFCs) were prepared using low toxicity dimethyl sulfoxide (DMSO) as a solvent. The effects of two solvent removal approaches on the final scaffold morphology were studied. The freeze drying method caused large pores, with small pores on the pore walls, which created connections between the pores. Meanwhile, the leaching and freeze drying method led to interconnected fine pores with smaller pore diameters. The nucleation effect of CNTs and the phase separation behavior of NFCs in the TPU solution resulted in significant differences in the microstructures of the resulting scaffolds. The mechanical performance of the nanocomposite scaffolds with different morphologies was investigated. Generally, the scaffolds with a fine pore structure showed higher compressive properties, and both the CNTs and NFCs improved the compressive properties of the scaffolds, with greater enhancement found in TPU/NFC nanocomposite scaffolds. In addition, all scaffolds showed good sustainability under cyclical load bearing, and the biocompatibility of the scaffolds was verified via 3T3 fibroblast cell culture. Copyright © 2016 Elsevier Ltd. All rights reserved.

Free vibration of multiwall carbon nanotubes

NASA Astrophysics Data System (ADS)

Wang, C. Y.; Ru, C. Q.; Mioduchowski, A.

2005-06-01

A multiple-elastic shell model is applied to systematically study free vibration of multiwall carbon nanotubes (MWNTs). Using Flugge [Stresses in Shells (Springer, Berlin, 1960)] equations of elastic shells, vibrational frequencies and associated modes are calculated for MWNTs of innermost radii 5 and 0.65 nm, respectively. The emphasis is placed on the effect of interlayer van der Waals (vdW) interaction on free vibration of MWNTs. Our results show that the interlayer vdW interaction has a crucial effect on radial (R) modes of large-radius MWNTs (e.g., of the innermost radius 5 nm), but is less pronounced for R modes of small-radius MWNTs (e.g., of the innermost radius 0.65 nm), and usually negligible for torsional (T) and longitudinal (L) modes of MWNTs. This is attributed to the fact that the interlayer vdW interaction, characterized by a radius-independent vdW interaction coefficient, depends on radial deflections only, and is dominant only for large-radius MWNTs of lower radial rigidity but less pronounced for small-radius MWNTs of much higher radial rigidity. As a result, the R modes of large-radius MWNTs are typically collective motions of almost all nested tubes, and the R modes of small-radius MWNTs, as well as the T and L modes of MWNTs, are basically vibrations of individual tubes. In particular, an approximate single-shell model is suggested to replace the multiple-shell model in calculating the lowest frequency of R mode of thin MWNTs (defined by the innermost radius-to-thickness ratio not less than 4) with relative errors less than 10%. In addition, the simplified Flugge single equation is adopted to substitute the exact Flugge equations in determining the R-mode frequencies of MWNTs with relative errors less than 10%.

Drug release through liposome pores.

PubMed

Dan, Nily

2015-02-01

Electrical, ultrasound and other types of external fields are known to induce the formation of pores in cellular and model membranes. This paper examines drug release through field induced liposome pores using Monte Carlo simulations. We find that drug release rates vary as a function of pore size and spacing, as well as the overall fraction of surface area covered by pores: The rate of release from liposomes is found to increase rapidly with pore surface coverage, approaching that of the fully ruptured liposome at fractional pore areas. For a given pore surface coverage, the pore size affects the release rate in the limit of low coverage, but not when the pores cover a relatively high fraction of the liposome surface area. On the other hand, for a given pore size and surface coverage, the distribution of pores significantly affects the release in the limit of high surface coverage: The rate of release from a liposome covered with a regularly spaced array of pores is, in this limit, higher than the release rate from (most) systems where the pores are distributed randomly on the liposome surface. In contrast, there is little effect of the pore distribution on release when the pore surface coverage is low. The simulation results are in good agreement with the predictions of detailed diffusion models. Copyright © 2014 Elsevier B.V. All rights reserved.

Effect of Stepwise Pressure Change on Porosity Evolution during Directional Solidification in Small Cylindrical Channels

NASA Technical Reports Server (NTRS)

Grugel, R.N.; Lee, C.P.; Cox, M.C.; Blandford, B.T.; Anilkumar, A.V.

2008-01-01

Controlled directional solidification experiments were performed in capillary channels, using nitrogen-saturated succinonitrile, to examine the effect of an in-situ stepwise processing pressure increase on an isolated pore evolution. Two experiments were performed using different processing pressure input profiles. The results indicate that a processing pressure increase has a transient effect on pore growth geometry characterized by an initial phase of decreasing pore diameter, followed by a recovery phase of increasing pore diameter. The experimental results also show that processing pressure can be used as a control parameter to either increase or terminate porosity formation. A theoretical model is introduced which indicates that the pore formation process is limited by the diffusion of solute-gas through the melt, and that the observed response toa pressure increase is attributed to the re-equilibration of solute concentration in the melt associated with the increased melt pressure.

Application of the Aqueous Porous Pathway Model to Quantify the Effect of Sodium Lauryl Sulfate on Ultrasound-Induced Skin Structural Perturbation

PubMed Central

Polat, Baris E.; Seto, Jennifer E.; Blankschtein, Daniel; Langer, Robert

2011-01-01

This study investigated the effect of sodium lauryl sulfate (SLS) on skin structural perturbation when utilized simultaneously with low-frequency sonophoresis (LFS). Pig full-thickness skin (FTS) and pig split-thickness skin (STS) treated with LFS/SLS and LFS were analyzed in the context of the aqueous porous pathway model to quantify skin perturbation through changes in skin pore radius and porosity-to-tortuosity ratio (ε/τ). In addition, skin treatment times required to attain specific levels of skin electrical resistivity were analyzed to draw conclusions about the effect of SLS on reproducibility and predictability of skin perturbation. We found that LFS/SLS-treated FTS, LFS/SLS-treated STS, and LFS-treated FTS exhibited similar skin perturbation. However, LFS-treated STS exhibited significantly higher skin perturbation, suggesting greater structural changes to the less robust STS induced by the purely physical enhancement mechanism of LFS. Evaluation of ε/τ values revealed that LFS/SLS-treated FTS and STS have similar transport pathways, while LFS-treated FTS and STS have lower ε/τ values. In addition, LFS/SLS treatment times were much shorter than LFS treatment times for both FTS and STS. Moreover, the simultaneous use of SLS and LFS not only results in synergistic enhancement, as reflected in the shorter skin treatment times, but also in more predictable and reproducible skin perturbation. PMID:20963845

Modeling the interaction of ultrasound with pores

NASA Technical Reports Server (NTRS)

Lu, Yichi; Wadley, Haydn N. G.; Parthasarathi, Sanjai

1991-01-01

Factors that affect ultrasonic velocity sensing of density during consolidation of metal powders are examined. A comparison is made between experimental results obtained during the final stage of densification and the predictions of models that assume either a spherical or a spheroidal pore shape. It is found that for measurements made at low frequencies during the final stage of densification, relative density (pore fraction) and pore shape are the two most important factors determining the ultrasonic velocity, the effect of pore size is negligible.

Transverse thermal conductivity of porous materials made from aligned nano- and microcylindrical pores

NASA Astrophysics Data System (ADS)

Prasher, Ravi

2006-09-01

Nanoporous and microporous materials made from aligned cylindrical pores play important roles in present technologies and will play even bigger roles in future technologies. The insight into the phonon thermal conductivity of these materials is important and relevant in many technologies and applications. Since the mean free path of phonons can be comparable to the pore size and interpore distance, diffusion-approximation based effective medium models cannot be used to predict the thermal conductivity of these materials. Strictly speaking, the Boltzmann transport equation (BTE) must be solved to capture the ballistic nature of thermal transport; however, solving BTE in such a complex network of pores is impractical. As an alternative, we propose an approximate ballistic-diffusive microscopic effective medium model for predicting the thermal conductivity of phonons in two-dimensional nanoporous and microporous materials made from aligned cylindrical pores. The model captures the size effects due to the pore diameter and the interpore distance and reduces to diffusion-approximation based models for macroporous materials. The results are in good agreement with experimental data.

The Role of Ion Selectivity of the Fusion Pore on Transmission and the Exocytosis of Neurotransmitters and Hormones

NASA Astrophysics Data System (ADS)

Delacruz, Joannalyn Bongar

Healthy nervous system function depends on proper transmission. Synaptic transmission occurs by the release of transmitters from vesicles that fuse to the plasma membrane of a pre-synaptic cell. Regulated release of neurotransmitters, neuropeptides, and hormones occurs by exocytosis, initiated by the formation of the fusion pore. The initial fusion pore has molecular dimensions with a diameter of 1-2 nm and a rapid lifetime on the millisecond time scale. It connects the vesicular lumen and extracellular space, serving as an important step for regulating the release of charged transmitters. Comprehending the molecular structure and biophysical properties of the fusion pore is essential for a mechanistic understanding of vesicle-plasma membrane fusion and transmitter release. Release of charged transmitter molecules such as glutamate, acetylcholine, dopamine, or noradrenaline through a narrow fusion pore requires compensation of change in charge. Transmitter release through the fusion pore is therefore an electrodiffusion process. If the fusion pore is selective for specific ions, then its selectivity will affect the rate of transmitter release via the voltage gradient that develops across the fusion pore. The elucidation of these mechanisms can lead to a better understanding of nervous system cell biology, neural and endocrine signaling, learning, memory, motor control, sensory function and integration, and in particular synaptic transmission. This investigation can advance our understanding of neurological disorders in which noradrenergic and dopaminergic exocytosis is disturbed, leading to neurological consequences of developmental disorders, epilepsy, Parkinson's disease, and other neurodegenerative diseases. Ultimately, understanding the role of selectivity in the fusion pore and its effects on exocytosis can contribute to the development of more effective therapies. This study investigates the selectivity of the fusion pore by observing the effects of ion influx and efflux through the fusion pore. The experiments reveal negatively charged transmitter release can occur through a fusion pore at larger conductance values, past a threshold range. Narrow fusion pores with lower conductance values favor cation selectivity, which would accelerate the release of positively charged transmitters such as acetylcholine in the neuromuscular junction. However, release of negatively charged neurotransmitters such as glutamate can occur if an expanded fusion pore mediates release of this fast major excitatory transmitter. The intention of this research is to expand our understanding of the nervous system, which can contribute to healthy shifts in our clinical and educational interventions that are commonly delivered.

Nondestructive assessment of pore size in foam-based hybrid composite materials

NASA Astrophysics Data System (ADS)

Chen, M. Y.; Ko, R. T.

2012-05-01

In-situ non-destructive evaluation (NDE) during processing of high temperature polymer based hybrids offers great potential to gain close control and achieve the desired level of pore size, with low overall development cost. During the polymer curing cycle, close control over the evolution of volatiles would be beneficial to avoid the presence of pores or at least control their sizes. Traditional NDE methods cannot realistically be expected to evaluate individual pores in such components, as each pore evolves and grows during curing. However, NDE techniques offer the potential to detect and quantify the macroscopic response of many pores that are undesirable or intentionally introduced into these advanced materials. In this paper, preliminary results will be presented for nondestructive assessment of pore size in foam-based hybrid composite materials using ultrasonic techniques. Pore size was evaluated through the frequency content of the ultrasonic signal. The effects of pore size on the attenuation of ultrasound were studied. Feasibility of this method was demonstrated on two types of foams with various pore sizes.

Pore pressure development beneath the décollement at the Nankai subduction zone: Implications for plate boundary fault strength and sediment dewatering

NASA Astrophysics Data System (ADS)

Skarbek, Robert M.; Saffer, Demian M.

2009-07-01

Despite its importance for plate boundary fault processes, quantitative constraints on pore pressure are rare, especially within fault zones. Here, we combine laboratory permeability measurements from core samples with a model of loading and pore pressure diffusion to investigate pore fluid pressure evolution within underthrust sediment at the Nankai subduction zone. Independent estimates of pore pressure to ˜20 km from the trench, combined with permeability measurements conducted over a wide range of effective stresses and porosities, allow us to reliably simulate pore pressure development to greater depths than in previous studies and to directly quantify pore pressure within the plate boundary fault zone itself, which acts as the upper boundary of the underthrusting section. Our results suggest that the time-averaged excess pore pressure (P*) along the décollement ranges from 1.7-2.1 MPa at the trench to 30.2-35.9 MPa by 40 km landward, corresponding to pore pressure ratios of λb = 0.68-0.77. For friction coefficients of 0.30-0.40, the resulting shear strength along the décollement remains <12 MPa over this region. When noncohesive critical taper theory is applied using these values, the required pore pressure ratios within the wedge are near hydrostatic (λw = 0.41-0.59), implying either that pore pressure throughout the wedge is low or that the fault slips only during transient pulses of elevated pore pressure. In addition, simulated downward migration of minima in effective stress during drainage provides a quantitative explanation for down stepping of the décollement that is consistent with observations at Nankai.

Effects of Coke Calcination Level on Pore Structure in Carbon Anodes

NASA Astrophysics Data System (ADS)

Fang, Ning; Xue, Jilai; Lang, Guanghui; Bao, Chongai; Gao, Shoulei

2016-02-01

Effects of coke calcination levels on pore structure of carbon anodes have been investigated. Bench anodes were prepared by 3 types of cokes with 4 calcination temperatures (800°C, 900°C, 1000°C and 1100°C). The cokes and anodes were characterized using hydrostatic method, air permeability determination, mercury porosimetry, image analysis and confocal microscopy (CSLM). The cokes with different calcination levels are almost the same in LC values (19-20 Å) and real density (1.967-1.985 g/cm3), while the anode containing coke calcined at 900°C has the lowest open porosity and air permeability. Pore size distribution (represented by Anode H sample) can be roughly divided into two ranges: small and medium pores in diameter of 10-400 μm and large pores of 400-580 μm. For the anode containing coke calcined at 800°C, a number of long, narrow pores in the pore size range of 400-580 μm are presented among cokes particles. Formation of these elongated pores may be attributed to coke shrinkages during the anode baking process, which may develop cracking in the anode under cell operations. More small or medium rounded pores with pore size range of 10-400 μm emerge in the anodes with coke calcination temperatures of 900°C, 1000°C and 1100°C, which may be generated due to release of volatiles from the carbon anode during baking. For the anode containing coke calcined at 1100°C, it is found that many rounded pores often closely surround large coke particles, which have potential to form elongated, narrow pores.

Gyroaverage effects on nontwist Hamiltonians: Separatrix reconnection and chaos suppression

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

Del-Castillo-Negrete, Diego B; Martinell, J.

2012-01-01

A study of finite Larmor radius (FLR) effects on E x B test particle chaotic transport in non-monotonic zonal flows with drift waves in magnetized plasmas is presented. Due to the non-monotonicity of the zonal flow, the Hamiltonian does not satisfy the twist condition. The electrostatic potential is modeled as a linear superposition of a zonal flow and the regular neutral modes of the Hasegawa-Mima equation. FLR effects are incorporated by gyro-averaging the E x B Hamiltonian. It is shown that there is a critical value of the Larmor radius for which the zonal flow transitions from a profile withmore » one maximum to a profile with two maxima and a minimum. This bifurcation leads to the creation of additional shearless curves and resonances. The gyroaveraged nontwist Hamiltonian exhibits complex patterns of separatrix reconnection. A change in the Larmor radius can lead to heteroclinic-homoclinic bifurcations and dipole formation. For Larmor radii for which the zonal flow has bifurcated, double heteroclinic-heteroclinic, homoclinic-homoclinic and heteroclinic-homoclinic separatrix topologies are observed. It is also shown that chaotic transport is typically reduced as the Larmor radius increases. Poincare sections show that, for large enough Larmor radius, chaos can be practically suppressed. In particular, changes of the Larmor radius can restore the shearless curve.« less

Numerical Simulation of Multiphase Flow in Nanoporous Organic Matter With Application to Coal and Gas Shale Systems

NASA Astrophysics Data System (ADS)

Song, Wenhui; Yao, Jun; Ma, Jingsheng; Sun, Hai; Li, Yang; Yang, Yongfei; Zhang, Lei

2018-02-01

Fluid flow in nanoscale organic pores is known to be affected by fluid transport mechanisms and properties within confined pore space. The flow of gas and water shows notably different characteristics compared with conventional continuum modeling approach. A pore network flow model is developed and implemented in this work. A 3-D organic pore network model is constructed from 3-D image that is reconstructed from 2-D shale SEM image of organic-rich sample. The 3-D pore network model is assumed to be gas-wet and to contain initially gas-filled pores only, and the flow model is concerned with drainage process. Gas flow considers a full range of gas transport mechanisms, including viscous flow, Knudsen diffusion, surface diffusion, ad/desorption, and gas PVT and viscosity using a modified van der Waals' EoS and a correlation for natural gas, respectively. The influences of slip length, contact angle, and gas adsorption layer on water flow are considered. Surface tension considers the pore size and temperature effects. Invasion percolation is applied to calculate gas-water relative permeability. The results indicate that the influences of pore pressure and temperature on water phase relative permeabilities are negligible while gas phase relative permeabilities are relatively larger in higher temperatures and lower pore pressures. Gas phase relative permeability increases while water phase relative permeability decreases with the shrinkage of pore size. This can be attributed to the fact that gas adsorption layer decreases the effective flow area of the water phase and surface diffusion capacity for adsorbed gas is enhanced in small pore size.

Experimental Investigation on Pore Structure Characterization of Concrete Exposed to Water and Chlorides

PubMed Central

Liu, Jun; Tang, Kaifeng; Qiu, Qiwen; Pan, Dong; Lei, Zongru; Xing, Feng

2014-01-01

In this paper, the pore structure characterization of concrete exposed to deionised water and 5% NaCl solution was evaluated using mercury intrusion porosity (MIP), scanning electron microscopy (SEM) and X-ray diffraction (XRD). The effects of calcium leaching, fly ash incorporation, and chloride ions on the evolution of pore structure characteristics were investigated. The results demonstrate that: (i) in ordinary concrete without any fly ash, the leaching effect of the cement products is more evident than the cement hydration effect. From the experimental data, Ca(OH)2 is leached considerably with the increase in immersion time. The pore structure of concrete can also be affected by the formation of an oriented structure of water in concrete materials; (ii) incorporation of fly ash makes a difference for the performance of concrete submersed in solutions as the total porosity and the pore connectivity can be lower. Especially when the dosage of fly ash is up to 30%, the pores with the diameter of larger than 100 nm show significant decrease. It demonstrates that the pore properties are improved by fly ash, which enhances the resistance against the calcium leaching; (iii) chlorides have a significant impact on microstructure of concrete materials because of the chemical interactions between the chlorides and cement hydrates. PMID:28788204

Stochastic theory of size exclusion chromatography by the characteristic function approach.

PubMed

Dondi, Francesco; Cavazzini, Alberto; Remelli, Maurizio; Felinger, Attila; Martin, Michel

2002-01-18

A general stochastic theory of size exclusion chromatography (SEC) able to account for size dependence on both pore ingress and egress processes, moving zone dispersion and pore size distribution, was developed. The relationship between stochastic-chromatographic and batch equilibrium conditions are discussed and the fundamental role of the 'ergodic' hypothesis in establishing a link between them is emphasized. SEC models are solved by means of the characteristic function method and chromatographic parameters like plate height, peak skewness and excess are derived. The peak shapes are obtained by numerical inversion of the characteristic function under the most general conditions of the exploited models. Separate size effects on pore ingress and pore egress processes are investigated and their effects on both retention selectivity and efficiency are clearly shown. The peak splitting phenomenon and peak tailing due to incomplete sample sorption near to the exclusion limit is discussed. An SEC model for columns with two types of pores is discussed and several effects on retention selectivity and efficiency coming from pore size differences and their relative abundance are singled out. The relevance of moving zone dispersion on separation is investigated. The present approach proves to be general and able to account for more complex SEC conditions such as continuous pore size distributions and mixed retention mechanism.

Determination of the optical thickness and effective particle radius of clouds from reflected solar radiation measurements. II - Marine stratocumulus observations

NASA Technical Reports Server (NTRS)

Nakajima, Teruyuki; King, Michael D.; Spinhirne, James D.; Radke, Lawrence F.

1991-01-01

A multispectral scanning radiometer has been used to obtain measurements of the reflection function of marine stratocumulus clouds at 0.75 micron and at 1.65 and 2.16 microns. These observations were obtained from the NASA ER-2 aircraft as part of the FIRE, conducted off the coast of southern California during July 1987. Multispectral images of the reflection function were used to derive the optical thickness and the effective particle radius of stratiform cloud layers on four days. In addition to the radiation measurements, in situ microphysical measurements were obtained from an aircraft. In this paper, the remote sensing results are compared with in situ observations, which show a good spatial correlation for both optical thickness and effective radius. These comparisons further show systematic differences between remote sensing and in situ values, with a tendency for remote sensing to overestimate the effective radius by about 2-3 microns, independent of particle radius. The optical thickness, in contrast, is somewhat overestimated for small optical thicknesses and underestimated for large optical thicknesses. An introduction of enhanced gaseous absorption at a wavelength of 2.16 microns successfully explains some of these observed discrepancies.

Electrochemical Impedance Spectroscopy for Real-Time Detection of Lipid Membrane Damage Based on a Porous Self-Assembly Monolayer Support.

PubMed

Zhang, Meng; Zhai, Qingyu; Wan, Liping; Chen, Li; Peng, Yu; Deng, Chunyan; Xiang, Juan; Yan, Jiawei

2018-06-19

Layer-by-layer dissolution and permeable pore formation are two typical membrane damage pathways, which induce membrane function disorder and result in serious disease, such as Alzheimer's disease, Keshan disease, Sickle-cell disease, and so on. To effectively distinguish and sensitively monitor these two typical membrane damage pathways, a facile electrochemical impedance strategy was developed on a porous self-assembly monolayer (pSAM) supported bilayer lipid membrane (BLM). The pSAM was prepared by selectively electrochemical reductive desorption of the mercaptopropionic acid in a mixed mercaptopropionic acid/11-mercaptoundecanoic acid self-assembled monolayer, which created plenty of nanopores with tens of nanometers in diameter and several nanometers in height (defined as inner-pores). The ultralow aspect ratio of the inner-pores was advantageous to the mass transfer of electrochemical probe [Fe(CN) 6 ] 3-/4- , simplifying the equivalent electric circuit for electrochemical impedance spectroscopy analysis at the electrode/membrane interface. [Fe(CN) 6 ] 3-/4- transferring from the bulk solution into the inner-pore induce significant changes of the interfacial impedance properties, improving the detection sensitivity. Based on these, the different membrane damage pathways were effectively distinguished and sensitively monitored with the normalized resistance-capacitance changes of inner-pore-related parameters including the electrolyte resistance within the pore length ( R pore ) and the metal/inner-pore interfacial capacitance ( C pore ) and the charge-transfer resistance ( R ct-in ) at the metal/inner-pore interface.

Influence of lyophilization factors and gelatin concentration on pore structures of atelocollagen/gelatin sponge biomaterial.

PubMed

Yang, Longqiang; Tanabe, Koji; Miura, Tadashi; Yoshinari, Masao; Takemoto, Shinji; Shintani, Seikou; Kasahara, Masataka

2017-07-26

This study aimed to investigate influences of lyophilization factors and gelatin concentration on pore structures of ACG sponge. ACG sponges of different freezing temperatures (-30, -80 and -196 o C), freezing times (1, 2 and 24 h), gelatin concentrations (0.6%AC+0.15%G, 0.6%AC+0.6%G and 0.6%AC+2.4%G), and with 500 μM fluvastatin were fabricated. Pore structures including porosity and pore size were analyzed by scanning electron microscopy and ImageJ. The cytotoxic effects of ACG sponges were evaluated in vitro. Freezing temperature did not affect porosity while high freezing temperature (-30 o C) increased pore size. The high gelatin concentration group (0.6%AC+2.4%G) had decreased porosity and pore size. Freezing time and 500 μM fluvastatin did not affect pore structures. The cytotoxicity and cell proliferation assays revealed that ACG sponges had no cytotoxic effects on human mesenchymal stromal cell growth and proliferation. These results indicate that ACG sponge may be a good biomaterial scaffold for bone regeneration.

Experimental study of dynamic effective stress coefficient for ultrasonic velocities of Bakken cores

NASA Astrophysics Data System (ADS)

Ma, X.; Zoback, M. D.

2016-12-01

We have performed a series of exhaustive experiments to measure the effective stress coefficient (α) of the tight cores from the Bakken shale oil play. Five distinct, bedding-normal cores from a vertical well were tested, covering the sequences of Lodgepole, Middle Bakken, and Three Forks. The scope of this laboratory study is two-fold: (1) to obtain the dynamic effective stress coefficient for ultrasonic velocities; (2) to characterize the poromechanical properties in relation to rock's mineral composition and microstructure. The experiments were carried out as follows: Argon-saturated specimen (1-inch length, 1-inch diameter) was subjected to hydrostatic confining pressure under drained conditions. Pore pressure was regulated as Argon was injected into both ends of the specimen. We drilled multiple non-through-going boreholes (1-mm diameter) in the specimen to facilitate pore pressure equilibrium, without compromising its integrity. The specimen was put through a loading path to experience confining pressure and pore pressure up to 70 and 60 MPa, respectively. P- and S- wave velocities were measured and used to calculate the rock's dynamic effective stress coefficient. Results of all five cores unanimously show that the dynamic a is a function of both confining and pore pressures, regardless of the wave type and loading path. When the simple effective stress is low, α is close to unity; however, α consistently increases as the simple effective stress rises and can reach as much as 3 when the latter reaches 60 MPa. This trend is rather surprising as it is diametrically the opposite of what was observed for the static α. A possible explanation is that high-frequency wave-induced pore pressure increment may have not remained equilibrated throughout the pore space, especially in very thin cracks, according to the squirt model. This phenomenon can be enhanced when the bulk modulus of pore fluid (gas typically considered to be `soft' and `non-viscous') increases with pore pressure and becomes comparable to the crack stiffness.

Radius morphology and its effects on rotation with contoured and noncontoured plating of the proximal radius.

PubMed

Rupasinghe, Shavantha L; Poon, Peter C

2012-05-01

The radius has a sagittal bow and a coronal bow. Fractures are often treated with volar anterior plating. However, the sagittal bow is often overlooked when plating. This study looks at radial morphology and the effect of plating the proximal radius with straight plates and then contoured plates bowed in the sagittal plane. We report our findings and their effect on forearm rotation. Morphology was investigated in 14 radii. Attention was paid to the proximal shaft of the radius and its sagittal bow; from this, 6-, 7-, and 8-hole plates were contoured to fit this bow. A simple transverse fracture was then made at the apex of this bow in 23 cadaver arms. Supination and pronation were compared when plating with a straight plate and a contoured plate. Ten cadavers underwent ulna plating at the same level. The effect on rotation of fractures plated in the distal-third shaft was also measured. A significant reduction in rotation was found when a proximal radius fracture was plated with a straight plate compared with a contoured plate: 10.8°, 12.8°, and 21.7° for 6-, 7-, and 8-hole plates, respectively (P < .05). Forearm rotation was decreased further when a longer plate was used. Ulna or distal shaft plating did not reduce rotation. This study has shown a significant sagittal bow of the proximal shaft of the radius. Plating this with contoured plates in the sagittal plane improves rotation when compared with straight plates. Additional ulna plating is not a source of reduced forearm rotation. Copyright © 2012 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Mosby, Inc. All rights reserved.

Micro-CT Pore Scale Study Of Flow In Porous Media: Effect Of Voxel Resolution

NASA Astrophysics Data System (ADS)

Shah, S.; Gray, F.; Crawshaw, J.; Boek, E.

2014-12-01

In the last few years, pore scale studies have become the key to understanding the complex fluid flow processes in the fields of groundwater remediation, hydrocarbon recovery and environmental issues related to carbon storage and capture. A pore scale study is often comprised of two key procedures: 3D pore scale imaging and numerical modelling techniques. The essence of a pore scale study is to test the physics implemented in a model of complicated fluid flow processes at one scale (microscopic) and then apply the model to solve the problems associated with water resources and oil recovery at other scales (macroscopic and field). However, the process of up-scaling from the pore scale to the macroscopic scale has encountered many challenges due to both pore scale imaging and modelling techniques. Due to the technical limitations in the imaging method, there is always a compromise between the spatial (voxel) resolution and the physical volume of the sample (field of view, FOV) to be scanned by the imaging methods, specifically X-ray micro-CT (XMT) in our case In this study, a careful analysis was done to understand the effect of voxel size, using XMT to image the 3D pore space of a variety of porous media from sandstones to carbonates scanned at different voxel resolution (4.5 μm, 6.2 μm, 8.3 μm and 10.2 μm) but keeping the scanned FOV constant for all the samples. We systematically segment the micro-CT images into three phases, the macro-pore phase, an intermediate phase (unresolved micro-pores + grains) and the grain phase and then study the effect of voxel size on the structure of the macro-pore and the intermediate phases and the fluid flow properties using lattice-Boltzmann (LB) and pore network (PN) modelling methods. We have also applied a numerical coarsening algorithm (up-scale method) to reduce the computational power and time required to accurately predict the flow properties using the LB and PN method.

Effect of pore size of three-dimensionally ordered macroporous chitosan-silica matrix on solubility, drug release, and oral bioavailability of loaded-nimodipine.

PubMed

Gao, Yikun; Xie, Yuling; Sun, Hongrui; Zhao, Qinfu; Zheng, Xin; Wang, Siling; Jiang, Tongying

2016-01-01

To explore the effect of the pore size of three-dimensionally ordered macroporous chitosan-silica (3D-CS) matrix on the solubility, drug release, and oral bioavailability of the loaded drug. 3D-CS matrices with pore sizes of 180 nm, 470 nm, and 930 nm were prepared. Nimodipine (NMDP) was used as the drug model. The morphology, specific surface area, and chitosan mass ratio of the 3D-CS matrices were characterized before the effect of the pore size on drug crystallinity, solubility, release, and in vivo pharmacokinetics were investigated. With the pore size of 3D-CS matrix decreasing, the drug crystallinity decreased and the aqueous solubility increased. The drug release was synthetically controlled by the pore size and chitosan content of 3D-CS matrix in a pH 6.8 medium, while in a pH 1.2 medium the erosion of the 3D-CS matrix played an important role in the decreased drug release rate. The area under the curve of the drug-loaded 3D-CS matrices with pore sizes of 930 nm, 470 nm, and 180 nm was 7.46-fold, 5.85-fold, and 3.75-fold larger than that of raw NMDP respectively. Our findings suggest that the oral bioavailability decreased with a decrease in the pore size of the matrix.

Influence of acid chain length on the properties of TiO2 prepared by sol-gel method and LC-MS studies of methylene blue photodegradation.

PubMed

Bakre, Pratibha V; Volvoikar, Prajesh S; Vernekar, Amit A; Tilve, S G

2016-07-15

Nano-sized titanium dioxide photocatalysts were synthesized by hybrid hydrolytic nonhydrolytic sol-gel method using aliphatic organic acid templates to study the effect of chain length on their properties. X-ray diffraction pattern indicated crystalline anatase phase. The Barrett-Joyner-Halenda surface area measurement gave surface area ranging from 98.4 to 205.5m(2)/g and was found to be dependent on the chain length of the aliphatic acid. The longer chain acids rendered the material with high surface area. The organic acids acted as bidentate ligand and a surfactant in controlling the size and the mesoporosity. The size of the TiO2 nanoparticulate was found to be in the range of 10-18nm. The catalyst prepared by employing long chain acids octanoic acid and palmitic acid had smaller size, narrow pore radius, higher surface area and showed better photocatalytic activity than the commercially available Degussa P25 catalyst for the degradation of methylene blue dye. A new intermediate was identified by tandem liquid chromatography mass spectrometry studies during the degradation of methylene blue solution. Copyright © 2016 Elsevier Inc. All rights reserved.

Effect of Processing Pressure on Isolated Pore Formation during Controlled Directional Solidification in Small Channels

NASA Technical Reports Server (NTRS)

Cox, Matthew C.; Anilkumar, Amrutur V.; Grugel, RIchard N.; Lee, Chun P.

2008-01-01

Directional solidification experiments were performed, using succinonitrile saturated with nitrogen gas, to examine the effects of in-situ processing pressure changes on the formation growth, and evolution of an isolated, cylindrical gaseous pore. A novel solidification facility, capable of processing thin cylindrical samples (I.D. < 1.0 mm), under controlled pressure conditions, was used for the experiments. A new experimental method for growing the isolated pore from a seed bubble is introduced. The experimental results indicate that an in-situ processing pressure change will result in either a transient change in pore diameter or a complete termination of pore growth, indicating that pressure changes can be used as a control parameter to terminate bubble growth. A simple analytical model has been introduced to explain the experimental observations.

Laser-assisted formation of micropores and nanobubbles in sclera promote stable normalization of intraocular pressure

NASA Astrophysics Data System (ADS)

Baum, Olga; Wachsmann-Hogiu, Sebastian; Milner, Thomas; Sobol, Emil

2017-06-01

Pores in sclera enhance uveoscleral water outflow and can normalize intraocular pressure in glaucomatous eyes. The aims of this study are to demonstrate laser-induced formation of pores with a dendritic structure and to answer the questions: How is a pore system stable and can laser treatment provide a long-lasting pressure stabilization effect? Effect of 1.56 µm laser radiation on porcine eye sclera was studied using atomic force microscopy and super resolution structured irradiation microscopy with fluorescent markers. Results suggest that the pores with a complex spatial configuration can arise as a result of laser irradiation and that laser-generated stable gas nanobubbles coated with calcium ions allow pore stabilization in the sclera. Our results support a laser based approach for treatment of glaucoma.

Fabrication, pore structure and compressive behavior of anisotropic porous titanium for human trabecular bone implant applications.

PubMed

Li, Fuping; Li, Jinshan; Xu, Guangsheng; Liu, Gejun; Kou, Hongchao; Zhou, Lian

2015-06-01

Porous titanium with average pore size of 100-650 μm and porosity of 30-70% was fabricated by diffusion bonding of titanium meshes. Pore structure was characterized by Micro-CT scan and SEM. Compressive behavior of porous titanium in the out-of-plane direction was studied. The effect of porosity and pore size on the compressive properties was also discussed based on the deformation mode. The results reveal that the fabrication process can control the porosity precisely. The average pore size of porous titanium can be tailored by adjusting the pore size of titanium meshes. The fabricated porous titanium possesses an anisotropic structure with square pores in the in-plane direction and elongated pores in the out-of-plane direction. The compressive Young's modulus and yield stress are in the range of 1-7.5 GPa and 10-110 MPa, respectively. The dominant compressive deformation mode is buckling of mesh wires, but some uncoordinated buckling is present in porous titanium with lower porosity. Relationship between compressive properties and porosity conforms well to the Gibson-Ashby model. The effect of pore size on compressive properties is fundamentally ascribed to the aspect ratio of titanium meshes. Porous titanium with 60-70% porosity has potential for trabecular bone implant applications. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effect of pore structure on the removal of clofibric acid by magnetic anion exchange resin.

PubMed

Tan, Liang; Shuang, Chendong; Wang, Yunshu; Wang, Jun; Su, Yihong; Li, Aimin

2018-01-01

The effect of pore structure of resin on clofibric acid (CA) adsorption behavior was investigated by using magnetic anion exchange resins (ND-1, ND-2, ND-3) with increasing pore diameter by 11.68, 15.37, 24.94 nm. Resin with larger pores showed faster adsorption rates and a higher adsorption capacity because the more opened tunnels provided by larger pores benefit the CA diffusion into the resin matrix. The ion exchange by the electrostatic interactions between Cl-type resin and CA resulted in chloride releasing to the solution, and the ratio of released chloride to CA adsorption amount decreased from 0.90 to 0.65 for ND-1, ND-2 and ND-3, indicating that non-electrostatic interactions obtain a larger proportional part of the adsorption into the pores. Co-existing inorganic anions and organic acids reduced the CA adsorption amounts by the competition effect of electrostatic interaction, whereas resins with more opened pore structures weakened the negative influence on CA adsorption because of the existence of non-electrostatic interactions. 85.2% and 65.1% adsorption amounts decrease are calculated for resin ND-1 and ND-3 by the negative influence of 1 mmol L -1 NaCl. This weaken effect of organic acid is generally depends on its hydrophobicity (Log Kow) for carboxylic acid and its ionization degree (pKb) for sulfonic acid. The resins could be reused with the slightly decreases by 1.9%, 3.2% and 5.4% after 7 cycles of regeneration, respectively for ND-1, ND-2 and ND-3, suggesting the ion exchange resin with larger pores are against its reuse by the brine solution regeneration. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effect of long-term organic fertilization on the soil pore characteristics of greenhouse vegetable fields converted from rice-wheat rotation fields.

PubMed

Xu, L Y; Wang, M Y; Shi, X Z; Yu, Q B; Shi, Y J; Xu, S X; Sun, W X

2018-08-01

The shift from rice-wheat rotation (RWR) to greenhouse vegetable soils has been widely practiced in China. Several studies have discussed the changes in soil properties with land-use changes, but few studies have sought to address the differences in soil pore properties, especially for fields based on long-term organic fertilization under greenhouse vegetable system from RWR fields. This study uses the X-ray computed tomography (CT) scanning and statistical analysis to compare the long-term effects of the conversion of organic greenhouse vegetable fields (over one year, nine years, and fourteen years) from RWR fields on the soil macropore structure as well as the influencing factors from samples obtained in Nanjing, Jiangsu, China, using the surface soil layer and triplicate samples. The results demonstrated that the macropore structure became more complex and stable, with a higher connectivity, fractal dimension (FD) and a lower degree of anisotropy (DA), as the greenhouse vegetable planting time increased. The total topsoil macroporosity increased considerably, but the rate of increase gradually decelerated with time. The transmission pores (round pores ranging from 50 to 500μm) increased with time, but the biopores (>2000μm) clearly decreased after nine years of use as greenhouse vegetable fields. Soil organic matter (OM) has a significant relationship with the soil pore structure characteristics, especially for the transmission pores. In addition, organic fertilization on the topsoil had a short-term effect on the pores, but the effect stabilized and had a weak influence on the pores over longer periods. These results suggested that organic fertilization was conducive for controlling soil degradation regarding it physical quality for water and oxygen availability in the short term. Copyright © 2018 Elsevier B.V. All rights reserved.

Polymer in a pore: Effect of confinement on the free energy barrier

NASA Astrophysics Data System (ADS)

Kumar, Sanjiv; Kumar, Sanjay

2018-06-01

We investigate the transfer of a polymer chain from cis- side to trans- side through two types of pores: cone-shaped channel and flat-channel. Using the exact enumeration technique, we obtain the free energy landscapes of a polymer chain for such systems. We have also calculated the free-energy barrier of a polymer chain attached to the edge of the pore. The model system allows us to calculate the force required to pull polymer from the pore and stall-force to confine polymer within the pore.

Impacts of toxic thresholds of sediment-associated contaminants to robust redhorse (Moxostoma robustum) in the Lower Oconee River

USGS Publications Warehouse

Lasier, P.; Winger, P.; Bogenrieder, K.; Shelton, J.

2000-01-01

The robust redhorse is a ?Species-at-Risk? in the lower Oconee River, GA. The population is composed of aging adults with little natural recruitment. Factors contributing to the loss of early-life stages are unknown, but contaminants associated with fine sediments may play a role. The objectives of this study were to determine toxicities of sediments and pore waters from the Oconee River to early-life stages of robust redhorse and to establish toxic thresholds of metals (Cd, Cu, Mn, Zn) and ammonia, elements potentially threatening this species. Depositional sediments were collected from the only known spawning site and three sites downstream of major tributaries. Sediment pore waters were extracted in the laboratory from all sites and in situ at two sites. Toxicity tests with sediments, pore waters and metal solutions were initiated with eggs, yolk-sac fry and swim-up fry to determine effects on the life stage initially exposed as well as effects manifested in later developmental stages. Survival and growth were test endpoints, and toxicity was observed in both sediments and pore waters. Although the yolk- sac stage was the most sensitive across all tests, sediment toxicity was elicited only in tests initiated with eggs that developed through the yolk-sac stage. Toxicity appeared to be due to Mn in sediment and pore water exposures, but was more prevalent in pore waters. Sediment handling and the associated effects on redox potential contributed to the elevated concentrations of Mn in pore waters. Pore waters extracted in situ had significantly less Mn and were less toxic than laboratory-extracted pore waters. These data suggest that sediment-associated Mn may impact early-life stages of robust redhorse in the Oconee River.

Laboratory triggering of stick-slip events by oscillatory loading in the presence of pore fluid with implications for physics of tectonic tremor

USGS Publications Warehouse

Bartlow, Noel M.; Lockner, David A.; Beeler, Nicholas M.

2012-01-01

The physical mechanism by which the low-frequency earthquakes (LFEs) that make up portions of tectonic (also called non-volcanic) tremor are created is poorly understood. In many areas of the world, tectonic tremor and LFEs appear to be strongly tidally modulated, whereas ordinary earthquakes are not. Anomalous seismic wave speeds, interpreted as high pore fluid pressure, have been observed in regions that generate tremor. Here we build upon previous laboratory studies that investigated the response of stick-slip on artificial faults to oscillatory, tide-like loading. These previous experiments were carried out using room-dry samples of Westerly granite, at one effective stress. Here we augment these results with new experiments on Westerly granite, with the addition of varying effective stress using pore fluid at two pressures. We find that raising pore pressure, thereby lowering effective stress can significantly increase the degree of correlation of stick-slip to oscillatory loading. We also find other pore fluid effects that become important at higher frequencies, when the period of oscillation is comparable to the diffusion time of pore fluid into the fault. These results help constrain the conditions at depth that give rise to tidally modulated LFEs, providing confirmation of the effective pressure law for triggering and insights into why tremor is tidally modulated while earthquakes are at best only weakly modulated.

Estimation of the effective heating systems radius as a method of the reliability improving and energy efficiency

NASA Astrophysics Data System (ADS)

Akhmetova, I. G.; Chichirova, N. D.

2017-11-01

When conducting an energy survey of heat supply enterprise operating several boilers located not far from each other, it is advisable to assess the degree of heat supply efficiency from individual boiler, the possibility of energy consumption reducing in the whole enterprise by switching consumers to a more efficient source, to close in effective boilers. It is necessary to consider the temporal dynamics of perspective load connection, conditions in the market changes. To solve this problem the radius calculation of the effective heat supply from the thermal energy source can be used. The disadvantage of existing methods is the high complexity, the need to collect large amounts of source data and conduct a significant amount of computational efforts. When conducting an energy survey of heat supply enterprise operating a large number of thermal energy sources, rapid assessment of the magnitude of the effective heating radius requires. Taking into account the specifics of conduct and objectives of the energy survey method of calculation of effective heating systems radius, to use while conducting the energy audit should be based on data available heat supply organization in open access, minimize efforts, but the result should be to match the results obtained by other methods. To determine the efficiency radius of Kazan heat supply system were determined share of cost for generation and transmission of thermal energy, capital investment to connect new consumers. The result were compared with the values obtained with the previously known methods. The suggested Express-method allows to determine the effective radius of the centralized heat supply from heat sources, in conducting energy audits with the effort minimum and the required accuracy.

ON THE VARIATION OF SOLAR RADIUS IN ROTATION CYCLES

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

Qu, Z. N.; Kong, D. F.; Xiang, N. B.

2015-01-10

The Date Compensated Discrete Fourier Transform and CLEANest algorithm are used to study the temporal variations of the solar radius observed at Rio de Janeiro Observatory from 1998 March 2 to 2009 November 6. The CLEANest spectra show several significant periodicities around 400, 312, 93.5, 86.2, 79.4, 70.9, 53.2, and 26.3 days. Then, combining the data on the daily solar radius measured at Calern Observatory and Rio de Janeiro Observatory and the corresponding daily sunspot areas, we study the short-term periodicity of the solar radius and the role of magnetic field in the variation of the solar radius. The rotation periodmore » of the daily solar radius is determined to be statistically significant. Moreover, its temporal evolution is anti-phase with that of sunspot activity, and it is found anti-phase with solar activity. Generally, the stronger solar activity is, the more obvious is the anti-phase relation of radius with solar activity. This indicates that strong magnetic fields have a greater inhibitive effect than weak magnetic fields on the variation of the radius.« less

Tracer counterpermeation analysis of diffusivity in finite-length nanopores with and without single-file dynamics

DOE PAGES

Ackerman, David M.; Evans, James W.

2017-01-19

Here, we perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either end. In addition to transient behavior, we assess steady-state concentration profiles, spatial correlations, particle number fluctuations, and diffusion fluxes through the pore. From the profiles and fluxes, we determine a generalized tracer diffusion coefficient D tr(x), at various positions x within themore » pore. D tr(x) has a plateau value in the pore center scaling inversely with the pore length, but it is enhanced near the pore openings. The latter feature reflects the effect of fluctuations in adsorption and desorption, and it is also associated with a nontrivial scaling of the concentration profiles near the pore openings.« less

Tracer counterpermeation analysis of diffusivity in finite-length nanopores with and without single-file dynamics

NASA Astrophysics Data System (ADS)

Ackerman, David M.; Evans, James W.

2017-01-01

We perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either end. In addition to transient behavior, we assess steady-state concentration profiles, spatial correlations, particle number fluctuations, and diffusion fluxes through the pore. From the profiles and fluxes, we determine a generalized tracer diffusion coefficient Dtr(x ) , at various positions x within the pore. Dtr(x ) has a plateau value in the pore center scaling inversely with the pore length, but it is enhanced near the pore openings. The latter feature reflects the effect of fluctuations in adsorption and desorption, and it is also associated with a nontrivial scaling of the concentration profiles near the pore openings.

Estimation of weapon-radius versus maneuverability trade-off for air-to-air combat

NASA Technical Reports Server (NTRS)

Kelley, H. J.; Lefton, L.

1977-01-01

A chase in a horizontal plane between a pursuer with a large capture radius and a more maneuverable evading vehicle is examined with constant-speed vehicle models. An approximation to the 'sidestepping' maneuver of the Homicidal Chauffeur Game is modified to account for the effect of evader turning rate, and an estimate of capture radius required is so obtained which agrees remarkably well with Cockayne's point-capture result. The maneuver assumes central importance for barrier surfaces appearing in the Game of Two Cars. Results are given for required weapon capture-radius in terms of the maneuverability of the two vehicles. Some calculations of capture radius are presented.

Pre-activation of aerosol particles by ice preserved in pores

NASA Astrophysics Data System (ADS)

Marcolli, Claudia

2017-02-01

Pre-activation denotes the capability of particles or materials to nucleate ice at lower relative humidities or higher temperatures compared to their intrinsic ice nucleation efficiency after having experienced an ice nucleation event or low temperature before. This review presumes that ice preserved in pores is responsible for pre-activation and analyses pre-activation under this presumption. Idealized trajectories of air parcels are used to discuss the pore characteristics needed for ice to persist in pores and to induce macroscopic ice growth out of the pores. The pore width needed to keep pores filled with water decreases with decreasing relative humidity as described by the inverse Kelvin equation. Thus, narrow pores remain filled with ice well below ice saturation. However, the smaller the pore width, the larger the melting and freezing point depressions within the pores. Therefore, pre-activation due to pore ice is constrained by the melting of ice in narrow pores and the sublimation of ice from wide pores imposing restrictions on the temperature and relative humidity range of pre-activation for cylindrical pores. Ice is better protected in ink-bottle-shaped pores with a narrow opening leading to a large cavity. However, whether pre-activation is efficient also depends on the capability of ice to grow macroscopically, i.e. out of the pore. A strong effect of pre-activation is expected for swelling pores, because at low relative humidity (RH) their openings narrow and protect the ice within them against sublimation. At high relative humidities, they open up and the ice can grow to macroscopic size and form an ice crystal. Similarly, ice protected in pockets is perfectly sheltered against sublimation but needs the dissolution of the surrounding matrix to be effective. Pores partially filled with condensable material may also show pre-activation. In this case, complete filling occurs at lower RH than for empty pores and freezing shifts to lower temperatures.Pre-activation experiments confirm that materials susceptible to pre-activation are indeed porous. Pre-activation was observed for clay minerals like illite, kaolinite, and montmorillonite with inherent porosity. The largest effect was observed for the swelling clay mineral montmorillonite. Some materials may acquire porosity, depending on the formation and processing conditions. Particles of CaCO3, meteoritic material, and volcanic ash showed pre-activation for some samples or in some studies but not in other ones. Quartz and silver iodide were not susceptible to pre-activation.Atmospheric relevance of pre-activation by ice preserved in pores may not be generally given but depend on the atmospheric scenario. Lower-level cloud seeding by pre-activated particles released from high-level clouds crucially depends on the ability of pores to retain ice at the relative humidities and temperatures of the air masses they pass through. Porous particles that are recycled in wave clouds may show pre-activation with subsequent ice growth as soon as ice saturation is exceeded after having passed a first cloud event. Volcanic ash particles and meteoritic material likely influence ice cloud formation by pre-activation. Therefore, the possibility of pre-activation should be considered when ice crystal number densities in clouds exceed the number of ice-nucleating particles measured at the cloud forming temperature.

Optimization of post-column reactor radius in capillary high performance liquid chromatography Effect of chromatographic column diameter and particle diameter

PubMed Central

Xu, Hongjuan; Weber, Stephen G.

2006-01-01

A post-column reactor consisting of a simple open tube (Capillary Taylor Reactor) affects the performance of a capillary LC in two ways: stealing pressure from the column and adding band spreading. The former is a problem for very small radius reactors, while the latter shows itself for large reactor diameters. We derived an equation that defines the observed number of theoretical plates (Nobs) taking into account the two effects stated above. Making some assumptions and asserting certain conditions led to a final equation with a limited number of variables, namely chromatographic column radius, reactor radius and chromatographic particle diameter. The assumptions and conditions are that the van Deemter equation applies, the mass transfer limitation is for intraparticle diffusion in spherical particles, the velocity is at the optimum, the analyte’s retention factor, k′, is zero, the post-column reactor is only long enough to allow complete mixing of reagents and analytes and the maximum operating pressure of the pumping system is used. Optimal ranges of the reactor radius (ar) are obtained by comparing the number of observed theoretical plates (and theoretical plates per time) with and without a reactor. Results show that the acceptable reactor radii depend on column diameter, particle diameter, and maximum available pressure. Optimal ranges of ar become narrower as column diameter increases, particle diameter decreases or the maximum pressure is decreased. When the available pressure is 4000 psi, a Capillary Taylor Reactor with 12 μm radius is suitable for all columns smaller than 150 μm (radius) packed with 2–5 μm particles. For 1 μm packing particles, only columns smaller than 42.5 μm (radius) can be used and the reactor radius needs to be 5 μm. PMID:16494886

Effect of Positioning of the ROI on BMD of the Forearm and Its Subregions.

PubMed

Rosen, Elizabeth O; McNamara, Elizabeth A; Whittaker, LaTarsha G; Malabanan, Alan O; Rosen, Harold N

2018-03-21

Inconsistent positioning of patients and region of interest (ROI) is known to influence the precision of bone mineral density (BMD) measurements in the spine and hip. However, it is unknown whether minor shifts in the positioning of the ROI along the shaft of the radius affect the measurement of forearm BMD and its subregions. The ultradistal (UD-), mid-, one-third, and total radius BMDs of 50 consecutive clinical densitometry patients were acquired. At baseline the distal end of the ROI was placed at the tip of the ulnar styloid as usual, and then the forearm was reanalyzed 10 more times, each time shifting the ROI 1 mm proximally. No corrections for multiple comparisons were necessary since the differences that were significant were significant at p < 0.001. The UD-radius BMD increased as the ROI was shifted proximally; the increase was significant when shifted even 1 mm proximally (p < 0.001). These same findings held true for the mid- and total radius bone density, though the percent increase with moving proximally was significantly greater for the UD radius than for the other subregions. However, there was no significant change in the one-third radius BMD when shifted proximally 1-10 mm. Minor proximal shifts of the forearm ROI substantially affect the BMD of the UD-, mid- and total radius, while having no effect on the one-third radius BMD. Since the one-third radius is the only forearm region usually reported, minor proximal shifts of the ROI should not influence forearm BMD results significantly. Copyright © 2018 The International Society for Clinical Densitometry. Published by Elsevier Inc. All rights reserved.

Optimization of hybrid laser arc welding of 42CrMo steel to suppress pore formation

NASA Astrophysics Data System (ADS)

Zhang, Yan; Chen, Genyu; Mao, Shuai; Zhou, Cong; Chen, Fei

2017-06-01

The hybrid laser arc welding (HLAW) of 42CrMo quenched and tempered steel was conducted. The effect of the processing parameters, such as the relative positions of the laser and the arc, the shielding gas flow rate, the defocusing distance, the laser power, the wire feed rate and the welding speed, on the pore formation was analyzed, the morphological characteristics of the pores were analyzed using scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). The results showed that the majority of the pores were invasive. The pores formed at the leading a laser (LA) welding process were fewer than those at the leading a arc (AL) welding process. Increasing the shielding gas flow rate could also facilitate the reduction of pores. The laser power and the welding speed were two key process parameters to reduce the pores. The flow of the molten pool, the weld cooling rate and the pore escaping rate as a result of different parameters could all affect pore formation. An ideal pore-free weld was obtained for the optimal welding process parameters.

Development of a nanocomposite ultrafiltration membrane based on polyphenylsulfone blended with graphene oxide

PubMed Central

Shukla, Arun Kumar; Alam, Javed; Alhoshan, Mansour; Dass, Lawrence Arockiasamy; Muthumareeswaran, M. R.

2017-01-01

In the present study, graphene oxide (GO) was incorporated as a nanoadditive into a polyphenylsulfone (PPSU) to develop a PPSU/GO nanocomposite membrane with enhanced antifouling properties. A series of membranes containing different concentrations (0.2, 0.5 and 1.0 wt.%) of GO were fabricated via the phase inversion method, using N-methyl pyrrolidone (NMP) as the solvent, deionized water as the non-solvent, and polyvinylpyrrolidone (PVP) as a pore forming agent. The prepared nanocomposite membranes were characterized using scanning electron microscopy (SEM) and atomic force microscopy (AFM), and were also characterized with respect to contact angle, zeta potential and porosity, mean pore radius, tortuosity and molecular weight cut-off (MWCO). Thermogravimetric analysis (TGA) and tensile testing were used to measure thermal and mechanical properties. The membrane performance was evaluated by volumetric flux and rejection of proteins, and antifouling properties. According to the results, the optimum addition of 0.5 wt% GO resulted in a membrane with an increased flux of 171 ± 3 Lm−2h−1 with a MWCO of ~40 kDa. In addition, the GO incorporation efficiently inhibited the interaction between proteins and the membrane surface, thereby improving the fouling resistance ability by approximately 58 ± 3%. Also, the resulting membranes showed a significant improvement in mechanical and thermal properties. PMID:28155882

Development of a nanocomposite ultrafiltration membrane based on polyphenylsulfone blended with graphene oxide

NASA Astrophysics Data System (ADS)

Shukla, Arun Kumar; Alam, Javed; Alhoshan, Mansour; Dass, Lawrence Arockiasamy; Muthumareeswaran, M. R.

2017-02-01

In the present study, graphene oxide (GO) was incorporated as a nanoadditive into a polyphenylsulfone (PPSU) to develop a PPSU/GO nanocomposite membrane with enhanced antifouling properties. A series of membranes containing different concentrations (0.2, 0.5 and 1.0 wt.%) of GO were fabricated via the phase inversion method, using N-methyl pyrrolidone (NMP) as the solvent, deionized water as the non-solvent, and polyvinylpyrrolidone (PVP) as a pore forming agent. The prepared nanocomposite membranes were characterized using scanning electron microscopy (SEM) and atomic force microscopy (AFM), and were also characterized with respect to contact angle, zeta potential and porosity, mean pore radius, tortuosity and molecular weight cut-off (MWCO). Thermogravimetric analysis (TGA) and tensile testing were used to measure thermal and mechanical properties. The membrane performance was evaluated by volumetric flux and rejection of proteins, and antifouling properties. According to the results, the optimum addition of 0.5 wt% GO resulted in a membrane with an increased flux of 171 ± 3 Lm-2h-1 with a MWCO of ~40 kDa. In addition, the GO incorporation efficiently inhibited the interaction between proteins and the membrane surface, thereby improving the fouling resistance ability by approximately 58 ± 3%. Also, the resulting membranes showed a significant improvement in mechanical and thermal properties.

Effect of Pore Pressure on Slip Failure of an Impermeable Fault: A Coupled Micro Hydro-Geomechanical Model

NASA Astrophysics Data System (ADS)

Yang, Z.; Juanes, R.

2015-12-01

The geomechanical processes associated with subsurface fluid injection/extraction is of central importance for many industrial operations related to energy and water resources. However, the mechanisms controlling the stability and slip motion of a preexisting geologic fault remain poorly understood and are critical for the assessment of seismic risk. In this work, we develop a coupled hydro-geomechanical model to investigate the effect of fluid injection induced pressure perturbation on the slip behavior of a sealing fault. The model couples single-phase flow in the pores and mechanics of the solid phase. Granular packs (see example in Fig. 1a) are numerically generated where the grains can be either bonded or not, depending on the degree of cementation. A pore network is extracted for each granular pack with pore body volumes and pore throat conductivities calculated rigorously based on geometry of the local pore space. The pore fluid pressure is solved via an explicit scheme, taking into account the effect of deformation of the solid matrix. The mechanics part of the model is solved using the discrete element method (DEM). We first test the validity of the model with regard to the classical one-dimensional consolidation problem where an analytical solution exists. We then demonstrate the ability of the coupled model to reproduce rock deformation behavior measured in triaxial laboratory tests under the influence of pore pressure. We proceed to study the fault stability in presence of a pressure discontinuity across the impermeable fault which is implemented as a plane with its intersected pore throats being deactivated and thus obstructing fluid flow (Fig. 1b, c). We focus on the onset of shear failure along preexisting faults. We discuss the fault stability criterion in light of the numerical results obtained from the DEM simulations coupled with pore fluid flow. The implication on how should faults be treated in a large-scale continuum model is also presented.

Methods for pore water extraction from unsaturated zone tuff, Yucca Mountain, Nevada

USGS Publications Warehouse

Scofield, K.M.

2006-01-01

Assessing the performance of the proposed high-level radioactive waste repository at Yucca Mountain, Nevada, requires an understanding of the chemistry of the water that moves through the host rock. The uniaxial compression method used to extract pore water from samples of tuffaceous borehole core was successful only for nonwelded tuff. An ultracentrifugation method was adopted to extract pore water from samples of the densely welded tuff of the proposed repository horizon. Tests were performed using both methods to determine the efficiency of pore water extraction and the potential effects on pore water chemistry. Test results indicate that uniaxial compression is most efficient for extracting pore water from nonwelded tuff, while ultracentrifugation is more successful in extracting pore water from densely welded tuff. Pore water splits collected from a single nonwelded tuff core during uniaxial compression tests have shown changes in pore water chemistry with increasing pressure for calcium, chloride, sulfate, and nitrate. Pore water samples collected from the intermediate pressure ranges should prevent the influence of re-dissolved, evaporative salts and the addition of ion-deficient water from clays and zeolites. Chemistry of pore water splits from welded and nonwelded tuffs using ultracentrifugation indicates that there is no substantial fractionation of solutes.

Micro/Nano-pore Network Analysis of Gas Flow in Shale Matrix

PubMed Central

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

2015-01-01

The gas flow in shale matrix is of great research interests for optimized shale gas extraction. The gas flow in the nano-scale pore may fall in flow regimes such as viscous flow, slip flow and Knudsen diffusion. A 3-dimensional nano-scale pore network model was developed to simulate dynamic gas flow, and to describe the transient properties of flow regimes. The proposed pore network model accounts for the various size distributions and low connectivity of shale pores. The pore size, pore throat size and coordination number obey normal distribution, and the average values can be obtained from shale reservoir data. The gas flow regimes were simulated using an extracted pore network backbone. The numerical results show that apparent permeability is strongly dependent on pore pressure in the reservoir and pore throat size, which is overestimated by low-pressure laboratory tests. With the decrease of reservoir pressure, viscous flow is weakening, then slip flow and Knudsen diffusion are gradually becoming dominant flow regimes. The fingering phenomenon can be predicted by micro/nano-pore network for gas flow, which provides an effective way to capture heterogeneity of shale gas reservoir. PMID:26310236

Micro/Nano-pore Network Analysis of Gas Flow in Shale Matrix.

PubMed

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

2015-08-27

The gas flow in shale matrix is of great research interests for optimized shale gas extraction. The gas flow in the nano-scale pore may fall in flow regimes such as viscous flow, slip flow and Knudsen diffusion. A 3-dimensional nano-scale pore network model was developed to simulate dynamic gas flow, and to describe the transient properties of flow regimes. The proposed pore network model accounts for the various size distributions and low connectivity of shale pores. The pore size, pore throat size and coordination number obey normal distribution, and the average values can be obtained from shale reservoir data. The gas flow regimes were simulated using an extracted pore network backbone. The numerical results show that apparent permeability is strongly dependent on pore pressure in the reservoir and pore throat size, which is overestimated by low-pressure laboratory tests. With the decrease of reservoir pressure, viscous flow is weakening, then slip flow and Knudsen diffusion are gradually becoming dominant flow regimes. The fingering phenomenon can be predicted by micro/nano-pore network for gas flow, which provides an effective way to capture heterogeneity of shale gas reservoir.

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

Correlation effects during liquid infiltration into hydrophobic nanoporous media

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

Borman, V. D., E-mail: vdborman@mephi.ru; Belogorlov, A. A.; Byrkin, V. A.

To explain the thermal effects observed during the infiltration of a nonwetting liquid into a disordered nanoporous medium, we have constructed a model that includes correlation effects in a disordered medium. It is based on analytical methods of the percolation theory. The infiltration of a porous medium is considered as the infiltration of pores in an infinite cluster of interconnected pores. Using the model of randomly situated spheres (RSS), we have been able to take into account the correlation effect of the spatial arrangement and connectivity of pores in the medium. The other correlation effect of the mutual arrangement ofmore » filled and empty pores on the shell of an infinite percolation cluster of filled pores determines the infiltration fluctuation probability. This probability has been calculated analytically. Allowance for these correlation effects during infiltration and defiltration makes it possible to suggest a physical mechanism of the contact angle hysteresis and to calculate the dependences of the contact angles on the degree of infiltration, porosity of the medium, and temperature. Based on the suggested model, we have managed to describe the temperature dependences of the infiltration and defiltration pressures and the thermal effects that accompany the absorption of energy by disordered porous medium-nonwetting liquid systems with various porosities in a unified way.« less

Heat transfer in a conical porous medium due to inner and top surface heating: Effect of radius ratio

NASA Astrophysics Data System (ADS)

Ahamad, N. Ameer; Khan, T. M. Yunus

2018-05-01

The present study investigates the effect of radius ratio and Rayleigh number on beat transfer characteristics of an annular cone subjected to two side heating and one side cooling. Finite element method is used to convert the partial differential equations into algebraic equations. The resulting equations are solved with the help of in-house computer code developed for specific purpose of heat transfer in conical porous medium. The results are discussed with respect to the radius ratio and Rayleigh number.

Investigation of the Klinkenberg effect in a micro/nanoporous medium by direct simulation Monte Carlo method

NASA Astrophysics Data System (ADS)

Yang, Guang; Weigand, Bernhard

2018-04-01

The pressure-driven gas transport characteristics through a porous medium consisting of arrays of discrete elements is investigated by using the direct simulation Monte Carlo (DSMC) method. Different porous structures are considered, accounting for both two- and three-dimensional arrangements of basic microscale and nanoscale elements. The pore scale flow patterns in the porous medium are obtained, and the Knudsen diffusion in the pores is studied in detail for slip and transition flow regimes. A new effective pore size of the porous medium is defined, which is a function of the porosity, the tortuosity, the contraction factor, and the intrinsic permeability of the porous medium. It is found that the Klinkenberg effect in different porous structures can be fully described by the Knudsen number characterized by the effective pore size. The accuracies of some widely used Klinkenberg correlations are evaluated by the present DSMC results. It is also found that the available correlations for apparent permeability, most of which are derived from simple pipe or channel flows, can still be applicative for more complex porous media flows, by using the effective pore size defined in this study.

A spatial dynamic model to assess piospheric land degradation processes of SW Iberian rangelands

NASA Astrophysics Data System (ADS)

Herguido Sevillano, Estela; Ibáñez, Javier; Francisco Lavado Contador, Joaquín; Pulido-Fernández, Manuel; Schnabel, Susanne

2015-04-01

Iberian open wooded rangelands (known as dehesas or montados) constitute valuable agro-silvo-pastoral systems traditionally considered as highly sustainable. Nevertheless, in the recent decades, those systems are undergoing changes of land use and management practices that compromise its sustainability. Some of those changes, as the rising construction of watering points and the high spatial fragmentation and livestock movement restriction associated to fencing, show an aggregated effect with livestock, producing an impact gradient over soil and vegetation. Soil compaction related to livestock pressure is higher around watering points, with bare soil halos and patches of scarce vegetation or nude soil developing with higher frequency in areas close to them. Using the freeware Dinamica EGO as environmental modeling platform, we have developed a theoretic spatial dynamic model that represents some of the processes of land degradation associated to livestock grazing in dehesa fenced enclosures. Spatial resolution is high since every cell in the model is a square unit area of 1 m2. We paid particular attention to the relationships between soil degradation by compaction (porosity), livestock pressure, rainfall, pasture growth and shrub cover and bare soil generation. The model considers pasture growth as related to soil compaction, measured by the pore space in the top 10 cm soil layer. Annual precipitation is randomly generated following a normal distribution. When annual precipitation and pore space increase, also does pasture growth. Besides, there is a feedback between pasture growth and pore space, given that pasture roots increases soil porosity. The cell utility for livestock function has been defined as an exponential function of the distance of a cell to watering points and the amount of pasture present in it. The closer the cell to a pond and the higher the amount of pasture, the higher is cell utility. The latter is modulated by a normal random variable to capture accidental effects. This variable has zero mean and a standard deviation linearly related to the distance to the pond. Livestock utilization of a cell is a function of its relative utility, the stocking rate and the time that animals spend at the enclosure. Since livestock trampling promotes soil compaction, livestock utilization has a negative effect on pore space. The probability of transition from herbaceous to shrubs is also modulated by pore space, and thus livestock utilization, as shrub development needs a minimum porosity value for seeds to successfully germinate. In addition, it is influenced by the proportion of cells occupied by shrubs in a radius where seed dispersal or exclusion by competition may occur. The model contemplates the probability of transition from shrubs to herbaceous through shrub mortality, and the age of the shrubs, which influences seed production and shrub cover. Pasture consumption by livestock and pasture remaining at the end of summer were also modeled, so that it is possible to obtain maps of bare soil at that time. Likewise, the model generates maps of vegetation state (shrubs or herbaceous) and pasture growth. The values of the set of 31 parameters were obtained from field measurements and from publications. Those parameters lacking quantitative information were calibrated by comparing model performance with the dynamics of true enclosures analyzed between 1984 and 2009 in ortophotographs. Stocking rates were inferred from farmers' interviews performed in 2009 about present and past land use and management practices. The model developed is intended to analyze strategies of livestock management in dehesas. Particularly, soil conservation practices as related to livestock pressure can be simulated looking for optimized schemes. Moreover, the model provides the possibility of generating simulations for future climate scenarios, studying the effects of climate change on livestock carrying capacity on these systems. Thanks to the Spanish Ministerio de Economía y Competitividad for financially supporting this study through AMID (CGL2011-23361) project.

The difference of drainage channel dimensions at Kopelma Darussalam on the land with and without the use of Bio Pores

NASA Astrophysics Data System (ADS)

Yulianur, Alfiansyah; Fauzi, Amir; Humaira, Zaitun

2018-05-01

The changes of land use and diminishing of open field that persistently occur are projected to cause rates acceleration of runoff, which decreases the opportunity for rainwater to infiltrate. It has an impact on the surface runoff into the channels, which eventually may lead to overflow and inundate the surrounding area. Some efforts are required to increase the infiltration of rainfall. Thus, bio pore could be one of the most effective methods to be implemented. The objective of this study is to evaluate the effect of bio pore towards the reduction of runoff discharge into the drainage channel and to determine whether that reduction could lead to effectively lessen the channels’ dimension. This study is commenced at Kopelma Darussalam in the southern part where there were several spots that submerged by inundation flood during the rainy season, namely Sektor Timur area. Rational modification formula is used to calculate the surface runoff discharge on the land without the use of bio pore. Meanwhile, runoff discharge on the land with the use of bio pores is calculated by the use of water balance formula. The number of bio pores that have planned in Sektor Timur area is 3350 bio pores with the diameter of each is ∅10 cm and 80 cm in depth. The result indicates that those bio pores can reduce the runoff discharge on average of 27% and its’ reduction lead to the decrease of drainage channel dimension for the average of 26.9%.

Distal radius reconstruction with vascularized proximal fibular autograft after en-bloc resection of recurrent giant cell tumor.

PubMed

Yang, Yun-Fa; Wang, Jian-Wei; Huang, Pin; Xu, Zhong-He

2016-08-17

Giant cell tumors (GCTs) located in the distal radius are likely to recur, and the treatment of such recurrent tumors is very difficult. Here, we report our clinical experience in distal radius reconstruction with vascularized proximal fibular autografts after en-bloc excision of the entire distal radius in 17 patients with recurrent GCT (RGCT) of the distal radius. All 17 patients with RGCT in distal radius underwent plain radiography and/or magnetic resonance imaging (MRI) of the distal radius as the initial evaluation after hospitalization. Then the distal radius were replaced by vascularized proximal fibular autografts after en-bloc RGCT resection. We assessed all patients by using clinical examinations, plain radiography of the wrist and chest, and Mayo wrist scores in the follow-ups. After an average follow-up of 4.3 years (range: 1.5-10.0 years), no lung metastasis or local recurrence was detected in any of the 17 patients. In total, 14 patients had excellent or good functional wrist scores, 16 were pain free or had occasional pain, and 15 patients returned to work. The mean range of motion of the wrist was 101° (flexion-extension), and the mean grip strength was 77.2 % of the contralateral normal hand. En-bloc excision of the entire distal radius and distal radius reconstruction with a vascularized proximal fibular autograft can effectively achieve local tumor control and preserve wrist function in patients with RGCT of the distal radius.

Examination of Anisotropy Using Amplitude Variation with Angle and Azimuth (AVAZ) in the Woodford Shale, Anadarko Basin, Oklahoma

NASA Astrophysics Data System (ADS)

Bailey, Austin

Amplitude Variation with Angle and Azimuth (AVAZ) is a method that examines the azimuthal change in seismic amplitude to calculate the anisotropy of a horizontally transverse isotropic (HTI) formation. Anisotropy is generally indicative of heterogeneity in the rock fabric, be it fractures, crack-like pores, or local stress changes. The aim of this study as a whole is to examine the relationship between AVAZ anisotropy magnitude from seismic data and pore pressure gradient from wells. Pore pressure is an important reservoir metric that is often used to understand the production variations within a hydrocarbon reservoir. Predicting pore pressure from seismic data can be extremely useful in not only estimating production, but also in predicting the completion and development strategies that may be most effective. However, seismic-based pore pressure prediction methods have not evolved much in the past decade, with the industry standard to rely on the Bowers (1995) or Eaton (1987) method of converting seismic velocities to pore pressure volumes. These methods may fall short as a predictive tool in many cases, due to their lack of spatial resolution and dependency on a stable velocity model, which may not always be available. Therefore, this study was begun in order to examine if an alternative method of detecting pore pressure variations could be found using AVAZ. The AVAZ methodology was applied to a merged 3D seismic dataset in the Anadarko Basin, Oklahoma provided by Cimarex Energy, in order to examine the Woodford Shale. The Woodford has been a key player in hydrocarbon production from the Anadarko Basin for decades, mainly serving as a source rock until the mid-2000's during the "unconventional revolution''. Throughout its extent, the Woodford Formation shows significant heterogeneity due to both the structure and faults of the basin, as well as changes in the rock fabric. This study aims to use the AVAZ methodology to examine heterogeneity in the Woodford and to relate its anisotropy to pore pressure. Before examining the AVAZ effect in the seismic data, forward modeling from well logs was completed to conceptualize a relationship between pore pressure and anisotropy. Theoretically, at higher pore pressures the reservoir fluid may be effectively propping the fractures open, thus having a greater effect on any pressure wave traveling through the fluid. At lower pore pressure, the overburden pressure dominates the fluid-filled fractures and closes them down. Therefore, at higher pore pressure the AVAZ anisotropy would be greater than at lower pore pressure. The forward modeling from dipole sonic well logs confirms this conceptual model by showing a positive relationship between pore pressure and AVAZ anisotropy. Before the results of the AVAZ workflow were obtained, a variety of pre-processing steps and quality controls were done on the merged 3D seismic dataset. Although the pore pressure - anisotropy relationship appears robust in modeling, the AVAZ results from the seismic data do not appear to correlate with pore pressure. It is likely that acquisition-related artifacts in the seismic data, as well as small magnitude of change in pore pressure, contribute to this lack of correlation. However, further interpretation of the AVAZ volumes shows local stress variations near faults as well as a potential secondary stress trend striking to the north-east. Such information has implications for completion and overall development of the Woodford as an unconventional resource play.

Improved MICROBASE Product with Uncertainties

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

Wang, Meng

The data set contains four primary microphysics, including liquid water content, ice water content, liquid effective radius, and ice effective radius. Bit QC and data quality QC are also calculated. Quantification of uncertainties (incorporating the work of Zhao et al. 2013) are included for all four microphysics.

Effect of pore geometry on the compressibility of a confined simple fluid

NASA Astrophysics Data System (ADS)

Dobrzanski, Christopher D.; Maximov, Max A.; Gor, Gennady Y.

2018-02-01

Fluids confined in nanopores exhibit properties different from the properties of the same fluids in bulk; among these properties is the isothermal compressibility or elastic modulus. The modulus of a fluid in nanopores can be extracted from ultrasonic experiments or calculated from molecular simulations. Using Monte Carlo simulations in the grand canonical ensemble, we calculated the modulus for liquid argon at its normal boiling point (87.3 K) adsorbed in model silica pores of two different morphologies and various sizes. For spherical pores, for all the pore sizes (diameters) exceeding 2 nm, we obtained a logarithmic dependence of fluid modulus on the vapor pressure. Calculation of the modulus at saturation showed that the modulus of the fluid in spherical pores is a linear function of the reciprocal pore size. The calculation of the modulus of the fluid in cylindrical pores appeared too scattered to make quantitative conclusions. We performed additional simulations at higher temperature (119.6 K), at which Monte Carlo insertions and removals become more efficient. The results of the simulations at higher temperature confirmed both regularities for cylindrical pores and showed quantitative difference between the fluid moduli in pores of different geometries. Both of the observed regularities for the modulus stem from the Tait-Murnaghan equation applied to the confined fluid. Our results, along with the development of the effective medium theories for nanoporous media, set the groundwork for analysis of the experimentally measured elastic properties of fluid-saturated nanoporous materials.

Studies of Plasma-Sprayed Alumina

NASA Astrophysics Data System (ADS)

Ilavsky, Jan

1994-05-01

Phase transformations and porosity of the plasma sprayed alumina deposits were examined. The dependence of the phase transformations on deposit chemistry was established. Porosity changes during heat treatment were studied and a model for the porosity is proposed. A novel technique in the field of plasma sprayed deposits--small-angle neutron scattering (SANS)--was successfully applied. Deposits were manufactured using the water-stabilized plasma spray system, PAL160, with an input of 160 kW. Phase transformations of the plasma sprayed alumina deposits were studied using XRD and DTA. The deposits were manufactured from 99.9% alumina, alumina-chromia (1.5% Cr_2O_3), gray alumina (3.7% TiO_2) and alumina -titania (17% TiO_2). The addition of chromia increases the temperature of the alpha phase formation by about 40^circ C and the addition of TiO_2 reduces this temperature by about 150^circ C for gray alumina and by about 175^ circC for alumina-titania. The amount of metastable theta phase was found to depend on the chemistry of the feedstock. Porosities of the deposits, made from alumina and gray alumina, were studied using mercury intrusion porosimetry, weighing method (Archimedean porosimetry), image analysis and SANS. Samples were studied in the as -sprayed condition and after heat treatment for 2 hours at 1300^circC and 1500 ^circC. Porosity depends on the deposit chemistry and on the heat treatment and varies from 5% to about 11%. Different porosity measurement techniques yield different results. Surface areas of 1.5 to 7.5 times 10^4 cm^2 /cm^3 (times 10^6 m^{ -1}) were measured using SANS and depend on heat treatment and on the deposit chemistry. The phase transformations can be associated with an increase in pore surface area and decrease in surface area at 1500 ^circC can be associated with sintering. The effective pore radius, R_{ rm eff}, as measured by SANS is a measure of the pore sizes in the 0.08 to 10 μm size range. The R_{rm eff} depends on deposit chemistry and is about 0.7 to 0.9 μm for all deposits, but the gray alumina deposit, heat treated at 1500^ circC for 2h, exhibits an R_ {rm eff} of 2.2 mu m. This increase can be associated with sintering.

High Structural Stability of Textile Implants Prevents Pore Collapse and Preserves Effective Porosity at Strain

PubMed Central

Klinge, Uwe; Otto, Jens; Mühl, Thomas

2015-01-01

Reinforcement of tissues by use of textiles is encouraged by the reduced rate of recurrent tissue dehiscence but for the price of an inflammatory and fibrotic tissue reaction to the implant. The latter mainly is affected by the size of the pores, whereas only sufficiently large pores are effective in preventing a complete scar entrapment. Comparing two different sling implants (TVT and SIS), which are used for the treatment of urinary incontinence, we can demonstrate that the measurement of the effective porosity reveals considerable differences in the textile construction. Furthermore the changes of porosity after application of a tensile load can indicate a structural instability, favouring pore collapse at stress and questioning the use for purposes that are not “tension-free.” PMID:25973427

Short-Range-Order for fcc-based Binary Alloys Revisited from Microscopic Geometry

NASA Astrophysics Data System (ADS)

Yuge, Koretaka

2018-04-01

Short-range order (SRO) in disordered alloys is typically interpreted as competition between chemical effect of negative (or positive) energy gain by mixing constituent elements and geometric effects comes from difference in effective atomic radius. Although we have a number of theoretical approaches to quantitatively estimate SRO at given temperatures, it is still unclear to systematically understand trends in SRO for binary alloys in terms of geometric character, e.g., effective atomic radius for constituents. Since chemical effect plays significant role on SRO, it has been believed that purely geometric character cannot capture the SRO trends. Despite these considerations, based on the density functional theory (DFT) calculations on fcc-based 28 equiatomic binary alloys, we find that while conventional Goldschmidt or DFT-based atomic radius for constituents have no significant correlation with SRO, atomic radius for specially selected structure, constructed purely from information about underlying lattice, can successfully capture the magnitude of SRO. These facts strongly indicate that purely geometric information of the system plays central role to determine characteristic disordered structure.

LONG-TERM PERFORMANCE CHARACTERISTICS OF FINE PORE CERAMIC DIFFUSERS AT MONROE, WISCONSIN

EPA Science Inventory

A study of the fine pore aeration system at the Monroe, Wisconsin wastewater treatment plant was conducted to monitor, over a 2-year period, the oxygen transfer efficiency (OTE) and fouling tendencies of four different effective pore size ceramic discs. The plant treats a mixtur...

Drying regimes in homogeneous porous media from macro- to nanoscale

NASA Astrophysics Data System (ADS)

Thiery, J.; Rodts, S.; Weitz, D. A.; Coussot, P.

2017-07-01

Magnetic resonance imaging visualization down to nanometric liquid films in model porous media with pore sizes from micro- to nanometers enables one to fully characterize the physical mechanisms of drying. For pore size larger than a few tens of nanometers, we identify an initial constant drying rate period, probing homogeneous desaturation, followed by a falling drying rate period. This second period is associated with the development of a gradient in saturation underneath the sample free surface that initiates the inward recession of the contact line. During this latter stage, the drying rate varies in accordance with vapor diffusion through the dry porous region, possibly affected by the Knudsen effect for small pore size. However, we show that for sufficiently small pore size and/or saturation the drying rate is increasingly reduced by the Kelvin effect. Subsequently, we demonstrate that this effect governs the kinetics of evaporation in nanopores as a homogeneous desaturation occurs. Eventually, under our experimental conditions, we show that the saturation unceasingly decreases in a homogeneous manner throughout the wet regions of the medium regardless of pore size or drying regime considered. This finding suggests the existence of continuous liquid flow towards the interface of higher evaporation, down to very low saturation or very small pore size. Paradoxically, even if this net flow is unidirectional and capillary driven, it corresponds to a series of diffused local capillary equilibrations over the full height of the sample, which might explain that a simple Darcy's law model does not predict the effect of scaling of the net flow rate on the pore size observed in our tests.

Application of a drainage film reduces fibroblast ingrowth into large-pored polyurethane foam during negative-pressure wound therapy in an in vitro model.

PubMed

Wiegand, Cornelia; Springer, Steffen; Abel, Martin; Wesarg, Falko; Ruth, Peter; Hipler, Uta-Christina

2013-01-01

Negative-pressure wound therapy (NPWT) is an advantageous treatment option in wound management to promote healing and reduce the risk of complications. NPWT is mainly carried out using open-cell polyurethane (PU) foams that stimulate granulation tissue formation. However, growth of wound bed tissue into foam material, leading to disruption of newly formed tissue upon dressing removal, has been observed. Consequently, it would be of clinical interest to preserve the positive effects of open-cell PU foams while avoiding cellular ingrowth. The study presented analyzed effects of NPWT using large-pored PU foam, fine-pored PU foam, and the combination of large-pored foam with drainage film on human dermal fibroblasts grown in a collagen matrix. The results showed no difference between the dressings in stimulating cellular migration during NPWT. However, when NPWT was applied using a large-pored PU foam, the fibroblasts continued to migrate into the dressing. This led to significant breaches in the cell layers upon removal of the samples after vacuum treatment. In contrast, cell migration stopped at the collagen matrix edge when fine-pored PU foam was used, as well as with the combination of PU foam and drainage film. In conclusion, placing a drainage film between collagen matrix and the large-pored PU foam dressing reduced the ingrowth of cells into the foam significantly. Moreover, positive effects on cellular migration were not affected, and the effect of the foam on tissue surface roughness in vitro was also reduced. © 2013 by the Wound Healing Society.

Demarcating Circulation Regimes of Synchronously Rotating Terrestrial Planets within the Habitable Zone

NASA Astrophysics Data System (ADS)

Haqq-Misra, Jacob; Wolf, Eric. T.; Joshi, Manoj; Zhang, Xi; Kopparapu, Ravi Kumar

2018-01-01

We investigate the atmospheric dynamics of terrestrial planets in synchronous rotation within the habitable zone of low-mass stars using the Community Atmosphere Model. The surface temperature contrast between the day and night hemispheres decreases with an increase in incident stellar flux, which is opposite the trend seen in gas giants. We define three dynamical regimes in terms of the equatorial Rossby deformation radius and the Rhines length. The slow rotation regime has a mean zonal circulation that spans from the day to the night sides, which occurs for planets around stars with effective temperatures of 3300–4500 K (rotation period > 20 days), with both the Rossby deformation radius and the Rhines length exceeding the planetary radius. Rapid rotators have a mean zonal circulation that partially spans a hemisphere and with banded cloud formation beneath the substellar point, which occurs for planets orbiting stars with effective temperatures of less than 3000 K (rotation period < 5 days), with the Rossby deformation radius less than the planetary radius. In between is the Rhines rotation regime, which retains a thermally direct circulation from the day side to the night side but also features midlatitude turbulence-driven zonal jets. Rhines rotators occur for planets around stars in the range of 3000–3300 K (rotation period ∼5–20 days), where the Rhines length is greater than the planetary radius but the Rossby deformation radius is less than the planetary radius. The dynamical state can be observationally inferred from a comparison of the morphologies of the thermal emission phase curves of synchronously rotating planets.

A simple shape-free model for pore-size estimation with positron annihilation lifetime spectroscopy

NASA Astrophysics Data System (ADS)

Wada, Ken; Hyodo, Toshio

2013-06-01

Positron annihilation lifetime spectroscopy is one of the methods for estimating pore size in insulating materials. We present a shape-free model to be used conveniently for such analysis. A basic model in classical picture is modified by introducing a parameter corresponding to an effective size of the positronium (Ps). This parameter is adjusted so that its Ps-lifetime to pore-size relation merges smoothly with that of the well-established Tao-Eldrup model (with modification involving the intrinsic Ps annihilation rate) applicable to very small pores. The combined model, i.e., modified Tao-Eldrup model for smaller pores and the modified classical model for larger pores, agrees surprisingly well with the quantum-mechanics based extended Tao-Eldrup model, which deals with Ps trapped in and thermally equilibrium with a rectangular pore.

Study of insertion force and deformation for suturing with precurved NiTi guidewire.

PubMed

Wang, Yancheng; Chen, Roland K; Tai, Bruce L; Xu, Kai; Shih, Albert J

2015-04-01

This research presents an experimental study evaluating stomach suturing using a precurved nickel-titanium (NiTi) guidewire for an endoscopic minimally invasive obesity treatment. Precise path planning is critical for accurate and effective suturing. A position measurement system utilizing a hand-held magnetic sensor was used to measure the shape of a precurved guidewire and to determine the radius of curvature before and after suturing. Ex vivo stomach suturing experiments using four different guidewire tip designs varying the radius of curvature and bevel angles were conducted. The changes in radius of curvature and suturing force during suturing were measured. A model was developed to predict the guidewire radius of curvature based on the measured suturing force. Results show that a small bevel angle and a large radius of curvature reduce the suturing force and the combination of small bevel angle and small radius of curvature can maintain the shape of guidewire for accurate suturing.

Pore pressure control on faulting behavior in a block-gouge system

NASA Astrophysics Data System (ADS)

Yang, Z.; Juanes, R.

2016-12-01

Pore fluid pressure in a fault zone can be altered by natural processes (e.g., mineral dehydration and thermal pressurization) and industrial operations involving subsurface fluid injection/extraction for the development of energy and water resources. However, the effect of pore pressure change on the stability and slip motion of a preexisting geologic fault remain poorly understood; yet they are critical for the assessment of seismic risk. In this work, we develop a micromechanical model to investigate the effect of pore pressure on faulting behavior. The model couples pore network fluid flow and mechanics of the solid grains. We conceptualize the fault zone as a gouge layer sandwiched between two blocks; the block material is represented by a group of contact-bonded grains and the gouge is composed of unbonded grains. A pore network is extracted from the particulate pack of the block-gouge system with pore body volumes and pore throat conductivities calculated rigorously based on the geometry of the local pore space. Pore fluid exerts pressure force onto the grains, the motion of which is solved using the discrete element method (DEM). The model updates the pore network regularly in response to deformation of the solid matrix. We study the fault stability in the presence of a pressure inhomogeneity (gradient) across the gouge layer, and compare it with the case of homogeneous pore pressure. We consider both normal and thrust faulting scenarios with a focus on the onset of shear failure along the block-gouge interfaces. Numerical simulations show that the slip behavior is characterized by intermittent dynamics, which is evident in the number of slipping contacts at the block-gouge interfaces and the total kinetic energy of the gouge particles. Numerical results also show that, for the case of pressure inhomogeneity, the onset of slip occurs earlier for the side with higher pressure, and that this onset appears to be controlled by the maximum pressure of both sides of the fault. We conclude that the stability of the fault should be evaluated separately for both sides of the gouge layer, a result that sheds new light on the use of the effective stress principle and the Coulomb failure criterion in evaluating the stability of a complex fault zone.

Estimating Pore Properties from NMR Relaxation Time Measurements in Heterogeneous Media

NASA Astrophysics Data System (ADS)

Grunewald, E.; Knight, R.

2008-12-01

The link between pore geometry and the nuclear magnetic resonance (NMR) relaxation time T2 is well- established for simple systems but is poorly understood for complex media with heterogeneous pores. Conventional interpretation of NMR relaxation data employs a model of isolated pores in which each hydrogen proton samples only one pore type, and the T2-distribution is directly scaled to estimate a pore-size distribution. During an actual NMR measurement, however, each proton diffuses through a finite volume of the pore network, and so may sample multiple pore types encountered within this diffusion cell. For cases in which heterogeneous pores are strongly coupled by diffusion, the meaning of the T2- distribution is not well understood and further research is required to determine how such measurements should be interpreted. In this study we directly investigate the implications of pore coupling in two groups of laboratory NMR experiments. We conduct two suites of experiments, in which samples are synthesized to exhibit a range of pore coupling strengths using two independent approaches: (a) varying the scale of the diffusion cell and (b) varying the scale over which heterogeneous pores are encountered. In the first set of experiments, we vary the scale of the diffusion cell in silica gels which have a bimodal pore-size distribution comprised of intragrannular micropores and much larger intergrannular pores. The untreated gel exhibits strong pore coupling with a single broad peak observed in the T2-distribution. By treating the gel with varied amounts of paramagnetic iron surface coatings, we decrease the surface relaxation time, T2S, and effectively decrease both the size of the diffusion cell and the degree of pore coupling. As more iron is coated to the grain surfaces, we observe a separation of the broad T2-distribution into two peaks that more accurately represent the true bimodal pore-size distribution. In the second set of experiments, we vary the scale over which heterogeneous pores are encountered in bimodal grain packs of pure quartz (long T2S) and hematite (short T2S). The scale of heterogeneity is varied by changing the mean grain size and relative mineral concentrations. When the mean grain size is small and the mineral concentrations are comparable, the T2-distribution is roughly monomodal indicating strong pore coupling. As the grain size is increased or the mineral concentrations are made increasingly uneven, the T2- distribution develops a bimodal character, more representative of the actual distribution of pore types. Numerical simulations of measurements in both experiment groups allow us to more closely investigate how the relaxing magnetization evolves in both time and space. Collectively, these experiments provide important insights into the effects of pore coupling on NMR measurements in heterogeneous systems and contribute to our ultimate goal of improving the interpretation of these data in complex near-surface sediments.

What controls open-pore and residual currents in the first sensing zone of alpha-hemolysin nanopore? Combined experimental and theoretical study

NASA Astrophysics Data System (ADS)

de Biase, Pablo M.; Ervin, Eric N.; Pal, Prithwish; Samoylova, Olga; Markosyan, Suren; Keehan, Michael G.; Barrall, Geoffrey A.; Noskov, Sergei Yu.

2016-06-01

The electrophoretic transport of single-stranded DNA through biological nanopores such as alpha-hemolysin (αHL) is a promising and cost-effective technology with the potential to revolutionize genomics. The rational design of pores with the controlled polymer translocation rates and high contrast between different nucleotides could improve significantly nanopore sequencing applications. Here, we apply a combination of theoretical and experimental methods in an attempt to elucidate several selective modifications in the pore which were proposed to be central for the effective discrimination between purines and pyrimidines. Our nanopore test set includes the wild type αHL and six mutants (E111N/M113X/K147N) in which the cross-section and chemical functionality of the first constriction zone of the pore are modified. Electrophysiological recordings were combined with all-atom Molecular Dynamics simulations (MD) and a recently developed Brownian Dynamics (BROMOC) protocol to investigate residual ion currents and pore-DNA interactions for two homo-polymers e.g. poly(dA)40 or poly(dC)40 blocking the pore. The calculated residual currents and contrast in the poly(dA)40/poly(dC)40 blocked pore are in qualitative agreement with the experimental recordings. We showed that a simple structural metric allows rationalization of key elements in the emergent contrast between purines and pyrimidines in the modified αHL mutants. The shape of the pore and its capacity for hydrogen bonding to a translocated polynucleotide are two essential parameters for contrast optimization. To further probe the impact of these two factors in the ssDNA sensing, we eliminated the effect of the primary constriction using serine substitutions (i.e. E111S/M113S/T145S/K147S) and increased the hydrophobic volume of the central residue in the secondary constriction (L135I). This pore modification sharply increased the contrast between Adenine (A) and Cytosine (C).The electrophoretic transport of single-stranded DNA through biological nanopores such as alpha-hemolysin (αHL) is a promising and cost-effective technology with the potential to revolutionize genomics. The rational design of pores with the controlled polymer translocation rates and high contrast between different nucleotides could improve significantly nanopore sequencing applications. Here, we apply a combination of theoretical and experimental methods in an attempt to elucidate several selective modifications in the pore which were proposed to be central for the effective discrimination between purines and pyrimidines. Our nanopore test set includes the wild type αHL and six mutants (E111N/M113X/K147N) in which the cross-section and chemical functionality of the first constriction zone of the pore are modified. Electrophysiological recordings were combined with all-atom Molecular Dynamics simulations (MD) and a recently developed Brownian Dynamics (BROMOC) protocol to investigate residual ion currents and pore-DNA interactions for two homo-polymers e.g. poly(dA)40 or poly(dC)40 blocking the pore. The calculated residual currents and contrast in the poly(dA)40/poly(dC)40 blocked pore are in qualitative agreement with the experimental recordings. We showed that a simple structural metric allows rationalization of key elements in the emergent contrast between purines and pyrimidines in the modified αHL mutants. The shape of the pore and its capacity for hydrogen bonding to a translocated polynucleotide are two essential parameters for contrast optimization. To further probe the impact of these two factors in the ssDNA sensing, we eliminated the effect of the primary constriction using serine substitutions (i.e. E111S/M113S/T145S/K147S) and increased the hydrophobic volume of the central residue in the secondary constriction (L135I). This pore modification sharply increased the contrast between Adenine (A) and Cytosine (C). Electronic supplementary information (ESI) available: Statistical data on correlation between experimental and predicted conductance, ion densities in open and blocked pores and data on solvent structuring in nanopores. See DOI: 10.1039/c6nr00164e

Point Counts Modifications and Breeding Bird Abundances in Central Appalachian Forests

Treesearch

J. Edwards Gates

1995-01-01

The effects of point count duration and radius on detection of breeding birds were compared by recording all birds seen or heard within two consecutive 5-minute intervals and for fixed-radius (within 30 m) or unlimited radius counts. Counts were conducted on Green Ridge State Forest (GRSF) and Savage River State Forest (SRSF) in western Maryland. More than 70 percent...

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.

Electroosmotic Flow Rectification in Membranes with Asymmetrically Shaped Pores: Effects of Current and Pore Density

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

Bishop, Gregory W.; Lopez, Marcos M.; Ramiah Rajasekaran, Pradeep

2015-07-09

We have recently demonstrated a new electrokinetic phenomenon—electroosmotic flow rectification in membranes with asymmetrically shaped pores. Flow rectification means that at constant driving force the flow rate in one direction through the membrane is faster than the flow rate in the opposite direction. EOF rectification could be of practical use in microfluidic devices incorporating porous membranes, but additional research is required. We explore here the effects of two key experimental variables—current density used to drive flow through the membrane and membrane pore density—on EOF rectification. We have found that the extent of EOF rectification, as quantified by the rectification ratio,more » increases with increasing current density. In contrast, the rectification ratio decreases with increasing membrane pore density. We propose explanations for these results based on simple EOF and membrane-transport theories.« less

Effect of nitric acid treatment on activated carbon derived from oil palm shell

NASA Astrophysics Data System (ADS)

Allwar, Allwar; Hartati, Retno; Fatimah, Is

2017-03-01

The primary object of this work is to study the effect of nitric acid on the porous and morphology structure of activated carbon. Production of activated carbon from oil palm shell was prepared with pyrolysis process at temperature 900°C and by introduction of 10 M nitric acid. Determination of surface area, pore volume and pore size distribution of activated carbon was conducted by the N2 adsorption-desorption isotherm at 77 K. Morphology structure and elemental micro-analysis of activated carbon were estimated by Scanning Electron Microscopy (SEM) and energy dispersive X-ray (EDX), respectively. The result shows that activated carbon after treating with nitric acid proved an increasing porous characteristics involving surface area, pore volume and pore size distribution. It also could remove the contaminants including metals and exhibit an increasing of pores and crevices all over the surface.

Peptides selected for the protein nanocage pores change the rate of iron recovery from the ferritin mineral.

PubMed

Liu, Xiaofeng S; Patterson, Leslie D; Miller, Marvin J; Theil, Elizabeth C

2007-11-02

Pores regulate access between ferric-oxy biomineral inside and reductants/chelators outside the ferritin protein nanocage to control iron demineralization rates. The pore helix/loop/helix motifs that are contributed by three subunits unfold independently of the protein cage, as observed by crystallography, Fe removal rates, and CD spectroscopy. Pore unfolding is induced in wild type ferritin by increased temperature or urea (1-10 mM), a physiological urea range, 0.1 mM guanidine, or mutation of conserved pore amino acids. A peptide selected for ferritin pore binding from a combinatorial, heptapeptide library increased the rate of Fe demineralization 3-fold (p<0.001), similarly to a mutation that unfolded the pores. Conjugating the peptide to Desferal (desferrioxamine B mesylate), a chelator in therapeutic use, increased the rates to 8-fold (p<0.001). A second pore binding peptide had the opposite effect and decreased the rate of Fe demineralization 60% (p<0.001). The peptides could have pharmacological uses and may model regulators of ferritin demineralization rates in vivo or peptide regulators of gated pores in membranes. The results emphasize that small peptides can exploit the structural plasticity of protein pores to modulate function.

Kinetic models of controllable pore growth of anodic aluminum oxide membrane

NASA Astrophysics Data System (ADS)

Huang, Yan; Zeng, Hong-yan; Zhao, Ce; Qu, Ye-qing; Zhang, Pin

2012-06-01

An anodized Al2O3 (AAO) membrane with apertures about 72 nm in diameter was prepared by two-step anodic oxidation. The appearance and pore arrangement of the AAO membrane were characterized by energy dispersive x-ray spectroscopy and scanning electron microscopy. It was confirmed that the pores with high pore aspect ratio were parallel, well-ordered, and uniform. The kinetics of pores growth in the AAO membrane was derived, and the kinetic models showed that pores stopped developing when the pressure ( σ) trended to equal the surface tension at the end of anodic oxidation. During pore expansion, the effects of the oxalic acid concentration and expansion time on the pore size were investigated, and the kinetic behaviors were explained with two kinetic models derived in this study. They showed that the pore size increased with extended time ( r= G· t+ G'), but decreased with increased concentration ( r = - K·ln c- K') through the derived mathematic formula. Also, the values of G, G', K, and K' were derived from our experimental data.

The Influence of Pore Size on the Indentation Behavior of Metallic Nanoporous Materials: A Molecular Dynamics Study

PubMed Central

Esqué-de los Ojos, Daniel; Pellicer, Eva; Sort, Jordi

2016-01-01

In general, the influence of pore size is not considered when determining the Young’s modulus of nanoporous materials. Here, we demonstrate that the pore size needs to be taken into account to properly assess the mechanical properties of these materials. Molecular dynamics simulations of spherical indentation experiments on single crystalline nanoporous Cu have been undertaken in systems with: (i) a constant degree of porosity and variable pore diameter; and (ii) a constant pore diameter and variable porosity degree. The classical Gibson and Ashby expression relating Young’s modulus with the relative density of the nanoporous metal is modified to include the influence of the pore size. The simulations reveal that, for a fixed porosity degree, the mechanical behavior of materials with smaller pores differs more significantly from the behavior of the bulk, fully dense counterpart. This effect is ascribed to the increase of the overall surface area as the pore size is reduced, together with the reduced coordination number of the atoms located at the pores edges. PMID:28773476

Active pore space utilization in nanoporous carbon-based supercapacitors: Effects of conductivity and pore accessibility

NASA Astrophysics Data System (ADS)

Seredych, Mykola; Koscinski, Mikolaj; Sliwinska-Bartkowiak, Malgorzata; Bandosz, Teresa J.

2012-12-01

Composites of commercial graphene and nanoporous sodium-salt-polymer-derived carbons were prepared with 5 or 20 weight% graphene. The materials were characterized using the adsorption of nitrogen, SEM/EDX, thermal analysis, Raman spectroscopy and potentiometric titration. The samples' conductivity was also measured. The performance of the carbon composites in energy storage was linked to their porosity and electronic conductivity. The small pores (<0.7) were found as very active for double layer capacitance. It was demonstrated that when double layer capacitance is a predominant mechanism of charge storage, the degree of the pore space utilization for that storage can be increased by increasing the conductivity of the carbons. That active pore space utilization is defined as gravimetric capacitance per unit pore volume in pores smaller than 0.7 nm. Its magnitude is affected by conductivity of the carbon materials. The functional groups, besides pseudocapacitive contribution, increased the wettability and thus the degree of the pore space utilization. Graphene phase, owing to its conductivity, also took part in an insitu increase of the small pore accessibility and thus the capacitance of the composites via enhancing an electron transfer to small pores and thus imposing the reduction of groups blocking the pores for electrolyte ions.

Nano-Pore Size Analysis by SAXS Method of Cementitious Mortars Undergoing Delayed Ettringite Formation

NASA Astrophysics Data System (ADS)

Shekar, Yamini

This research investigates the nano-scale pore structure of cementitious mortars undergoing delayed ettringite formation (DEF) using small angle x-ray scattering (SAXS). DEF has been known to cause expansion and cracking during later ages (around 4000 days) in concrete that has been heat cured at temperatures of 70°C or above. Though DEF normally occurs in heat cured concrete, mass cured concrete can also experience DEF. Large crystalline pressures result in smaller pore sizes. The objectives of this research are: (1) to investigate why some samples expand early than later expansion, (2) to evaluate the effects of curing conditions and pore size distributions at high temperatures, and (3) to assess the evolution of the pore size distributions over time. The most important outcome of the research is the pore sizes obtained from SAXS were used in the development of a 3-stage model. From the data obtained, the pore sizes increase in stage 1 due to initial ettringite formation and in turn filling up the smallest pores. Once the critical pore size threshold is reached (around 20nm) stage 2 is formed due to cracking which tends to decrease in the pore sizes. Finally, in stage 3, the cracking continues, therefore increasing in the pore size.

Sebum, acne, skin elasticity, and gender difference - which is the major influencing factor for facial pores?

PubMed

Kim, B Y; Choi, J W; Park, K C; Youn, S W

2013-02-01

Enlarged facial pores have been esthetic problems and have become a matter of cosmetic concern. Several factors are supposed to be related to the enlargement of facial pores, although scientific evaluations were not performed yet. To assess the correlation between facial pores and possible relating factors such as age, gender, sebum secretion, skin elasticity, and the presence of acne, using objective bioengineering instruments. Sixty volunteers, 30 males and 30 females, participated in this study. Various parameters of facial pores were assessed using the Robo Skin Analyzer. The facial sebum secretion and skin elasticity were measured using the Sebumeter and the Cutometer, respectively. These data were compared and correlated to examine the possible relationship between facial pores and age, sebum secretion and skin elasticity, according to gender and the presence of acne. Male gender and the existence of acne were correlated with higher number of facial pores. Sebum secretion levels showed positive correlation with facial pores. The R7 parameter of skin elasticity was negatively correlated with facial pores, suggesting increased facial pores with decreased skin elasticity. However, the age and the severity of acne did not show a definite relationship with facial pores. Male, increased sebum and decreased skin elasticity were mostly correlated with facial pore development. Further studies on population with various demographic profiles and more severe acne may be helpful to elucidate the potential effect of aging and acne severity on facial pores. © 2011 John Wiley & Sons A/S.

Fixed-Radius Point Counts in Forests: Factors Influencing Effectiveness and Efficiency

Treesearch

Daniel R. Petit; Lisa J. Petit; Victoria A. Saab; Thomas E. Martin

1995-01-01

The effectiveness of fixed-radius point counts in quantifying abundance and richness of bird species in oak-hickory, pine-hardwoods, mixed-mesophytic, beech-maple, and riparian cottonwood forests was evaluated in Arkansas, Ohio, Kentucky, and Idaho. Effects of count duration and numbers of stations and visits per stand were evaluated in May to July 1991 by conducting...

Mechanical Degradation of Porous NiTi Alloys Under Static and Cyclic Loading

NASA Astrophysics Data System (ADS)

Hosseini, Seyyed Alireza

2017-12-01

Pore characteristics and morphology have significant effect on mechanical behavior of porous NiTi specimens. In this research, porous NiTi with different pore sizes, shapes and morphology were produced by powder metallurgy methods using space-holder materials. The effect of the pore characteristics on the mechanical properties was investigated by static and cyclic compression tests at body temperature. The results show that specimens with low porosity and isolated pores exhibit more mechanical strength and recoverable strain. The specimen with 36% porosity produced without space holder could preserve its properties up to 10% strain and its strain recovery was complete after cyclic compression tests. On the other hand, the specimens produced by a urea space holder with more than 60% interconnected porosity show rapid degradation of their scaffolds. The highly porous specimens degraded even below 5% strain due to crack formation and propagation in the thin pore walls. For highly porous specimens produced by a NaCl space holder, the pores are partially interconnected with a cubic shape; nevertheless, their mechanical behavior is close to low-porosity specimens.

Assessing the effects of microbial metabolism and metabolities on reservoir pore structure

USGS Publications Warehouse

Udegbunam, E.O.; Adkins, J.P.; Knapp, R.M.; McInerney, M.J.; Tanner, R.S.

1991-01-01

The effect of microbial treatment on pore structure of sandstone and carbonatereservoirs was determined. Understanding how different bacterial strains and their metabolic bioproducts affect reservoir pore structure will permit the prudent application of microorganisms for enhanced oil recovery. The microbial strains tested included Clostridium acetobutylicum, a polymer-producing Bacillus strain, and an unidentified halophilic anaerobe that mainly produced acids and gases. Electrical conductivity, absolute permeability, porosity and centrifuge capillary pressure were used to examine rock pore structures. Modifications of the pore structure observed in the laboratory cores included pore enlargement due to acid dissolution of carbonates and poare throat reduction due to biomass plugging. This paper shows that careful selection of microbes based on proper understanding of the reservoir petrophysical characteristics is necessary for applications of microbially enhanced oil recovery. These methods and results can be useful to field operators and laboratory researchers involved in design and screening of reservoirs for MEOR. The methods are also applicable in evaluation of formation damage caused by drilling, injection or completion fluids or stimulation caused by acids.

Effect of Pore Size, Morphology and Orientation on the Bulk Stiffness of a Porous Ti35Nb4Sn Alloy

NASA Astrophysics Data System (ADS)

Torres-Sanchez, Carmen; McLaughlin, John; Bonallo, Ross

2018-04-01

The metal foams of a titanium alloy were designed to study porosity as well as pore size and shape independently. These were manufactured using a powder metallurgy/space-holder technique that allowed a fine control of the pore size and morphology; and then characterized and tested against well-established models to predict a relationship between porosity, pore size and shape, and bulk stiffness. Among the typically used correlations, existing power-law models were found to be the best fit for the prediction of macropore morphology against compressive elastic moduli, outperforming other models such as exponential, polynomial or binomial. Other traditional models such as linear ones required of updated coefficients to become relevant to metal porous sintered macrostructures. The new coefficients reported in this study contribute toward a design tool that allows the tailoring of mechanical properties through porosity macrostructure. The results show that, for the same porosity range, pore shape and orientation have a significant effect on mechanical performance and that they can be predicted. Conversely, pore size has only a mild impact on bulk stiffness.

Heat of capillary condensation in nanopores: new insights from the equation of state.

PubMed

Tan, Sugata P; Piri, Mohammad

2017-02-15

Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) coupled with the Young-Laplace equation is a recently developed equation of state (EOS) that successfully presents not only the capillary condensation but also the pore critical phenomena. The development of this new EOS allows further investigation of the heats involved in condensation. Compared to the conventional approaches, the EOS calculations present the temperature-dependent behavior of the heat of capillary condensation as well as that of the contributing effects. The confinement effect was found to be the strongest at the pore critical point. Therefore, contrary to the bulk heat condensation that vanishes at the critical point, the heat of capillary condensation in small pores shows a minimum and then increases with temperature when approaching the pore critical temperature. Strong support for the existence of the pore critical point is also discussed as the volume expansivity of the condensed phase in confinement was found to increase dramatically near the pore critical temperature. At high reduced temperatures, the Clausius-Clapeyron equation was found to apply better for confined fluids than it does for bulk fluids.

Cations SkQ1 and MitoQ accumulated in mitochondria delay opening of ascorbate/FeSO4-induced nonspecific pore in the inner mitochondrial membrane.

PubMed

Khailova, L S; Dedukhova, V I; Mokhova, E N

2008-10-01

It is known that an addition of FeSO4 in the presence of ascorbic acid to cells or mitochondria can injure energy coupling and some other functions in mitochondria. The present study demonstrates that decrease in ascorbate concentration from 4 to 0.2 mM in the presence of the same low concentrations of FeSO4 accelerates the nonspecific pore opening, while cyclosporin A prevents and under some conditions reverses the pore opening. Hydrophobic cations SkQ1 and MitoQ (structural analogs of plastoquinone and coenzyme Q(10), respectively) delay pore opening, SkQ1 being more efficient. It is known that an increase in matrix ADP concentration delays pore opening, while an addition of carboxyatractylate to mitochondria accelerates the beginning of pore opening. Preliminary addition of SkQ1 into a mitochondrial suspension increased the effect of ADP and decreased the effect of carboxyatractylate. These results suggest that under the conditions used SkQ1 protects mitochondria from oxidative damage as an antioxidant when added at extremely low concentrations.

Limestone characterization to model damage from acidic precipitation: Effect of pore structure on mass transfer

USGS Publications Warehouse

Leith, S.D.; Reddy, M.M.; Irez, W.F.; Heymans, M.J.

1996-01-01

The pore structure of Salem limestone is investigated, and conclusions regarding the effect of the pore geometry on modeling moisture and contaminant transport are discussed based on thin section petrography, scanning electron microscopy, mercury intrusion porosimetry, and nitrogen adsorption analyses. These investigations are compared to and shown to compliment permeability and capillary pressure measurements for this common building stone. Salem limestone exhibits a bimodal pore size distribution in which the larger pores provide routes for convective mass transfer of contaminants into the material and the smaller pores lead to high surface area adsorption and reaction sites. Relative permeability and capillary pressure measurements of the air/water system indicate that Salem limestone exhibits high capillarity end low effective permeability to water. Based on stone characterization, aqueous diffusion and convection are believed to be the primary transport mechanisms for pollutants in this stone. The extent of contaminant accumulation in the stone depends on the mechanism of partitioning between the aqueous and solid phases. The described characterization techniques and modeling approach can be applied to many systems of interest such as acidic damage to limestone, mass transfer of contaminants in concrete and other porous building materials, and modeling pollutant transport in subsurface moisture zones.

The Nanoconfined Free Radical Polymerization: Reaction Kinetics and Thermodynamics

NASA Astrophysics Data System (ADS)

Zhao, Haoyu; Simon, Sindee

The reaction kinetics and thermodynamics of nanoconfined free radical polymerizations are investigated for methyl methacrylate (MMA) and ethyl methacrylate (EMA) monomers using differential scanning calorimetry. Controlled pore glass is used as the confinement medium with pore diameters as small as 7.5 nm; the influence of both hydrophobic (silanized such that trimethylsilyl groups cover the surface) and hydrophilic (native silanol) surfaces is investigated. Propagation rates increase when monomers are reacted in the hydrophilic pores presumably due to the specific interactions between the carbonyl and silanol groups; however, the more flexible EMA monomer shows weaker effects. On the other hand, initial rates of polymerization in hydrophobic pores are unchanged from the bulk. In both pores, the onset of autoacceleration occurs earlier due to the reduced diffusivity of confined chains, which may be compensated at high temperatures. In addition to changes in kinetics, the reaction thermodynamics can be affected under nanoconfinement. Specifically, the ceiling temperature (Tc) is shifted to lower temperatures in nanopores, with pore surface chemistry showing no significant effects; the equilibrium conversion is also reduced at high temperatures below Tc. These observations are attributed to a larger negative change in entropy on propagation for the confined system, with the MMA system again showing greater effects. Funding from ACS PRF is gratefully acknowledged.

Intercellular ice propagation: experimental evidence for ice growth through membrane pores.

PubMed Central

Acker, J P; Elliott, J A; McGann, L E

2001-01-01

Propagation of intracellular ice between cells significantly increases the prevalence of intracellular ice in confluent monolayers and tissues. It has been proposed that gap junctions facilitate ice propagation between cells. This study develops an equation for capillary freezing-point depression to determine the effect of temperature on the equilibrium radius of an ice crystal sufficiently small to grow through gap junctions. Convection cryomicroscopy and video image analysis were used to examine the incidence and pattern of intracellular ice formation (IIF) in the confluent monolayers of cell lines that do (MDCK) and do not (V-79W) form gap junctions. The effect of gap junctions on intracellular ice propagation was strongly temperature-dependent. For cells with gap junctions, IIF occurred in a directed wave-like pattern in 100% of the cells below -3 degrees C. At temperatures above -3 degrees C, there was a marked drop in the incidence of IIF, with isolated individual cells initially freezing randomly throughout the sample. This random pattern of IIF was also observed in the V-79W monolayers and in MDCK monolayers treated to prevent gap junction formation. The significant change in the low temperature behavior of confluent MDCK monolayers at -3 degrees C is likely the result of the inhibition of gap junction-facilitated ice propagation, and supports the theory that gap junctions facilitate ice nucleation between cells. PMID:11509353

Lallemantia reylenne seeds as superdisintegrant: Formulation and evaluation of nimesulide orodispersible tablets

PubMed Central

Malik, Karan; Arora, Gurpreet; Singh, Inderbir; Arora, Sandeep

2011-01-01

Aim: Orodispersible tablets also known as fast dissolving tablets disintegrate instantaneously within the mouth and thus can be consumed without water. The present study was aimed to formulate orodispersible tablets of nimesulide by using Lallemantia reylenne seeds as natural superdisintegrant. Materials and Methods: Powdered lallemantia seeds were characterized for powder flow properties (bulk density, tapped density, carr's consolidation index, hausner ratio, angle of repose), swelling index, viscosity, pH, and loss on drying. The prepared tablets were evaluated for different tablet parametric tests, wetting time, water absorption ratio, effective pore radius, porosity, packing fraction, in vitro and in vivo disintegration time, in vitro dissolution and stability studies. Results and Discussion: Increase in Lallementia reylenne concentration had an appreciable effect on tablet hardness and friability which clearly indicated binding potential of the seeds. Water absorption ratio increased with increase in Lallemantia reylenne concentration from batch A1 to A4. Water uptake coupled natural polymer swelling could be the most probable mechanism for concentration dependent reduction in disintegration time by the Lallemantia reylenne seeds. Porosity of the formulated tablets was found to increase from batch A1-A4. The in vitro disintegration results were in line with in vivo disintegration results. Conclusion: It could be concluded that Lallemantia reylenne seeds could be used as natural superdisintegrant in the formulation of orodispersible tablets. PMID:23071942

Development of Multiscale Materials in Microfluidic Devices: Case Study for Viral Separation from Whole Blood

NASA Astrophysics Data System (ADS)

Surawathanawises, Krissada

Separation and concentration of nanoscale species play an important role in various fields such as biotechnology, nanotechnology and environmental science. Inevitably, the separation efficiency strongly affects the quality of downstream detections or productions. Innovations in materials science that can separate bionanoparticles efficiently and do not require complex setups, reagents or external fields are highly demanded. This work focuses on developing new materials for the affinity separation of bio-nanoparticles such as viruses or macromolecules from a complex mixture, such as whole blood. To enhance the interaction between target nanoparticles and the capture bed, methods to produce porous matrices with a uniform pore size matching the dimension of targets are studied. Furthermore, regarding viral separation from whole blood, macroporous materials are further patterned into microarrays to allow multiscale separation. Considering the needs in resource-limited settings, these materials are integrated with microfluidic technologies to reduce the volume of samples and reagents, simplify operating processes, and enable the use of inexpensive and portable components. Beyond the application of viral separation as demonstrated in the work, the fundamental study of macroporous material formation and transport in these materials also shed light to the separation of many other nanospecies in multiscale materials. Specifically, two macroporous materials, based on template synthesis, are created in this work. The first type employs porous anodic aluminum oxide (AAO) films as the template to create hexagonal arrays of nanoposts. However, pore sizes and interpore distances (cell size) of ordered porous AAO films are limited by the conventional fabrication process. Moreover, the process usually yields defective pore morphologies and large pore and cell size distributions. To overcome these limitations, a patterning method using nanobead indentation on aluminum substrate prior to anodization is evaluated to control the growth of AAO. Together with controlled anodizing voltages and electrolytic concentrations, AAO pore and cell sizes are shown to be tunable and controllable with narrow size distributions within submicron range. A high degree of order of AAO pore arrangement is also demonstrated. In addition, overall anodization becomes more time-efficient and stable at high anodizing voltages. Secondly, a three-dimensional (3D) assembly of microbeads is used as a template to fabricate a spherical pore network with small interconnected openings. After depositing and drying a suspension containing both micro- and nanobeads, the microbeads assemble into a 3D close-packed structure while the nanobeads fill the interstitial space. When the nanobeads are melted and microbeads are removed, a spherical pore matrix then form with small interconnected openings. Such the opening size is in submicron range can be adjusted depending on the size of microbead. The advantages of the two macroporous materials are not only controllable and tunable pore size, but also high surface-to-volume ratio due to the nanoscale features. With a ratio on the order of ~1 microm-1, the porous materials provide a significantly large binding surface. Computational and experimental results reveal that porous materials with a pore size matching the nanoparticle size are suitable for their capture. Separation of human immunodeficiency virus (HIV) is used as a model and capture yields of ~99 % and ~80 % are achieved in the nanopost structure and spherical pore network, respectively, after treated with a functional chemistry. Hence, the properties of these two macroporous materials are suitable as a size-exclusion and affinity separation for viral particles. To further explore multiscale separation, i.e. capturing viruses from whole blood, micropatterned arrays of macroporous materials have been designed. In this design, a microscale gap allows the passage of microparticles such as blood cells, and the nanoscale pores promote permeation for affinity capture of bionanoparticles. Consequently, particles with a size difference of 3--4 orders of magnitude can be separated in a simple flow-through process. Computational analyses are employed to study the effect of micropattern shape and layout. A half-ring pattern is shown to reduce flow resistance and promote fluid permeation compared to a circular pattern. In the experiment, the micropatterned porous arrays yield around 4 times higher viral capture from whole blood compared with a micropatterned solid array. The micropatterned porous devices are capable of handling a large volume of fluid sample without clogging by cells. Therefore they can be used for nanoparticle concentration. Our study also indicates that the layout of micropatterns can be adjusted to improve the capture yield. For example, an increase in pattern radius, or a decrease in gap distance between each post and in width of half ring will enhance fluid permeation in the porous structure. When combined with downstream detection, these materials integrated into microfluidic platforms can be created as point-of-care diagnostics, as well as other applications for particle separation and analysis. (Abstract shortened by UMI.).

The effects of pressure, temperature, and pore water on velocities in Westerly granite. [for seismic wave propagation

NASA Technical Reports Server (NTRS)

Spencer, J. W., Jr.; Nur, A. M.

1976-01-01

A description is presented of an experimental assembly which has been developed to conduct concurrent measurements of compressional and shear wave velocities in rocks at high temperatures and confining pressures and with independent control of the pore pressure. The apparatus was used in studies of the joint effects of temperature, external confining pressure, and internal pore water on sonic velocities in Westerly granite. It was found that at a given temperature, confining pressure has a larger accelerating effect on compressional waves in dry rock, whereas at a given confining pressure, temperature has a larger retarding effect on shear waves.

Mesoporous carbon synthesized from different pore sizes of SBA-15 for high density electrode supercapacitor application

NASA Astrophysics Data System (ADS)

Jamil, Farinaa Md; Sulaiman, Mohd Ali; Ibrahim, Suhaina Mohd; Masrom, Abdul Kadir; Yahya, Muhd Zu Azhan

2017-12-01

A series of mesoporous carbon sample was synthesized using silica template, SBA-15 with two different pore sizes. Impregnation method was applied using glucose as a precursor for converting it into carbon. An appropriate carbonization and silica removal process were carried out to produce a series of mesoporous carbon with different pore sizes and surface areas. Mesoporous carbon sample was then assembled as electrode and its performance was tested using cyclic voltammetry and impedance spectroscopy to study the effect of ion transportation into several pore sizes on electric double layer capacitor (EDLC) system. 6M KOH was used as electrolyte at various scan rates of 10, 20, 30 and 50 mVs-1. The results showed that the pore size of carbon increased as the pore size of template increased and the specific capacitance improved as the increasing of the pore size of carbon.

Selective Hydrogen Isotope Separation via Breathing Transition in MIL-53(Al).

PubMed

Kim, Jin Yeong; Zhang, Linda; Balderas-Xicohténcatl, Rafael; Park, Jaewoo; Hirscher, Michael; Moon, Hoi Ri; Oh, Hyunchul

2017-12-13

Breathing of MIL-53(Al), a flexible metal-organic framework (MOF), leads to dynamic changes as narrow pore (np) transitions to large pore (lp). During the flexible and reversible transition, the pore apertures are continuously adjusted, thus providing the tremendous opportunity to separate mixtures of similar-sized and similar-shaped molecules that require precise pore tuning. Herein, for the first time, we report a strategy for effectively separating hydrogen isotopes through the dynamic pore change during the breathing of MIL-53(Al), a representative of flexible MOFs. The experiment shows that the selectivity for D 2 over H 2 is strongly related to the state of the pore structure of MIL-53(Al). The highest selectivity (S D 2 /H 2 = 13.6 at 40 K) was obtained by optimizing the exposure temperature, pressure, and time to systematically tune the pore state of MIL-53(Al).

The Effect of Various Acids to the Gelation Process to the Silica Gel Characteristic Using Organic Silica

NASA Astrophysics Data System (ADS)

Rahman, NA; Widiyastuti, W.; Sigit, D.; Ajiza, M.; Sujana, W.

2018-01-01

Bagasse ash is solid waste of cane sugar industry which contain of silica more than 51%. Some previous study of silica gel from bagasse ash have been conducted often and been applied. This study concerns about the effect of various acid used in the process of gelation to the characteristic of silica gel produced. Then, this silica gel will be used as adsorbent. As that, the silica gel must fulfill the requirements of adsorbent, as have good pores characteristics, fit in mesoporous size so that adsorbent diffusion process is not disturbed. A fitted pores size of silica gel can be prepared by managing acid concentration used. The effect of acid, organic acid (tartaric acid) and inorganic acid (hydrochloric acid), is investigated in detail. The acid is added into sodium silicate solution in that the gel is formed, the pores structures can be investigated with BET, the crystal form is analyzed with XRD and the pore structure is analyzed visually with SEM. By managing the acid concentration added, it gets the effect of acid to the pore structure of silica gel. The bigger concentration is, the bigger the pore’s size of silica gel produced.

A Fluorescence Correlation Spectroscopy Study of the Cryoprotective Mechanism of Glucose on Hemocyanin

NASA Astrophysics Data System (ADS)

Hauger, Eric J.

Cryopreservation is the method of preserving biomaterials by cooling and storing them at very low temperatures. In order to prevent the damaging effects of cooling, cryoprotectants are used to inhibit ice formation. Common cryoprotectants used today include ethylene glycol, propylene glycol, dimethyl sulfoxide, glycerol, and sugars. However, the mechanism responsible for the effectiveness of these cryoprotectants is poorly understood on the molecular level. The water replacement model predicts that water molecules around the surfaces of proteins are replaced with sugar molecules, forming a protective layer against the denaturing ice formation. Under this scheme, one would expect an increase in the hydrodynamic radius with increasing sugar concentration. In order to test this hypothesis, two-photon fluorescence correlation spectroscopy (FCS) was used to measure the hydrodynamic radius of hemocyanin (Hc), an oxygen-carrying protein found in arthropods, in glucose solutions up to 20wt%. FCS found that the hydrodynamic radius was invariant with increasing glucose concentration. Dynamic light scattering (DLS) results verified the hydrodynamic radius of hemocyanin in the absence of glucose. Although this invariant trend seems to indicate that the water replacement hypothesis is invalid the expected glucose layer around the Hc is smaller than the error in the hydrodynamic radius measurements for FCS. The expected change in the hydrodynamic radius with an additional layer of glucose is 1nm, however, the FCS standard error is +/-3.61nm. Therefore, the water replacement model cannot be confirmed nor refuted as a possible explanation for the cryoprotective effects of glucose on Hc.

Longitudinal afterbody grooves and shoulder radiusing for low-speed bluff body drag reduction

NASA Technical Reports Server (NTRS)

Howard, F. G.; Quass, B. F.; Weinstein, L. M.; Bushnell, D. M.

1981-01-01

A new low-speed drag reduction approach is proposed which employs longitudinal surface V-shaped grooves cutting through the afterbody shoulder region. The test Reynolds number range was from 20,000 to 200,000 based on undisturbed free-stream flow and a body diameter of 6.08 cm. The V-grooves are shown to be most effective in reducing drag when the afterbody shoulder radius is zero. Reductions in drag of up to 33% have been measured for this condition. For large shoulder radius, the grooves are only effective at the lower Reynolds numbers of the test.

Design considerations for a micro-g superfluid helium fluid acquisition system

NASA Technical Reports Server (NTRS)

Lee, J. M.

1989-01-01

The general description, the operation, and the design of a superfluid helium (SFHe) fluid acquisition system (FAS) for use under microgravity conditions is presented. For the type of FAS considered here, where fine-mesh woven screens are used to retain flowing SFHe within a gallery arm (flow) channel, those forces which determine the flow dynamics are the micro-g accelerations, liquid surface tension, and tensile strength and cumulative pressure drops along a flow path that begins at the bulk liquid and ends at the entrance to a pump. For this case, the dimensionless number, N(T) is written as the ratio between the pressure drop across the screen and the surface tension forces at the screen for low fluid velocities. Static Bond number measurements have bene taken for SFHe using 325 x 2300 twilled Dutch screen and have indicated a screen pore hydraulic radius of 0.00031 cm.

The effect of the pore-fluid factor on strength and failure mechanism of Wilkeson sandstone

NASA Astrophysics Data System (ADS)

Kätker, A. K.; Rempe, M.; Renner, J.

2016-12-01

The effective stress law, σn,eff = σn - αpf, is a central tool in analysing phenomena related to hydromechanical coupling, such as fluid-induced seismicity or aftershock activity. The effective-stress coefficient α assumes different values for specific physical properties and may deviate from 1. The limited number of studies suggest that brittle compressive strength obeys an effective-stress law when effective drainage is achieved. Yet, open questions remain regarding, e.g., the role of the loading path. We performed suites of triaxial compression tests on samples of Wilkeson sandstone at a range of pore-fluid pressures but identical effective confining pressure (60, 100, and 120 MPa) maintaining the pore-fluid factor λ = pf / pc constant (0.05, 0.2, 0.4, 0.55) during the isostatic loading stage to ensure uniform loading paths. Samples were shortened with a strain rate of 4×10-7 s-1 yielding drained conditions. All tests were terminated at a total axial strain of 4.5% for comparability of microstructures. The tests also included continuous permeability determination and ultrasonic p-wave-velocity measurements to monitor microstructural evolution. Results from experiments conducted at peff = 100 MPa show that dry samples exhibit a higher peak strength and brittle failure while water-saturated samples tend to deform at lower stress by cataclastic flow indicating physico-chemical weakening. Regardless of pore-fluid factor, the saturated experiments exhibit similar peak and residual strength. Differences in failure mechanism (degree of macroscopic localization) and volumetric strain evolution are however noticed, albeit without systematic relation to pore-fluid factor. Microstructure analyses by optical and scanning electron microscopy revealed an evolution from localized shear zones in dry experiments and experiments with a low pore-fluid factor to rather distributed cataclastic flow for experiments with high pore fluid factors. Yet, mechanical and structural differences observed so far may result from sample-to-sample variability and the proximity of the experimental conditions to the brittle-ductile transition.

Pore fluid pressure and the seismic cycle

NASA Astrophysics Data System (ADS)

French, M. E.; Zhu, W.; Hirth, G.; Belzer, B.

2017-12-01

In the brittle crust, the critical shear stress required for fault slip decreases with increasing pore fluid pressures according to the effective stress criterion. As a result, higher pore fluid pressures are thought to promote fault slip and seismogenesis, consistent with observations that increasing fluid pressure as a result of wastewater injection is correlated with increased seismicity. On the other hand, elevated pore fluid pressure is also proposed to promote slow stable failure rather than seismicity along some fault zones, including during slow slip in subduction zones. Here we review recent experimental evidence for the roles that pore fluid pressure and the effective stress play in controlling fault slip behavior. Using two sets of experiments on serpentine fault gouge, we show that increasing fluid pressure does decrease the shear stress for reactivation under brittle conditions. However, under semi-brittle conditions as expected near the base of the seismogenic zone, high pore fluid pressures are much less effective at reducing the shear stress of reactivation even though deformation is localized and frictional. We use an additional study on serpentinite to show that cohesive fault rocks, potentially the product of healing and cementation, experience an increase in fracture energy during faulting as fluid pressures approach lithostatic, which can lead to more stable failure. Structural observations show that the increased fracture energy is associated with a greater intensity of transgranular fracturing and delocalization of deformation. Experiments on several lithologies indicate that the stabilizing effect of fluid pressure occurs independent of rock composition and hydraulic properties. Thus, high pore fluid pressures have the potential to either enhance seismicity or promote stable faulting depending on pressure, temperature, and fluid pressure conditions. Together, the results of these studies indicate that pore fluid pressure promotes seismogenesis in the brittle shallow crust where fluid pressures are elevated but sub-lithostatic and promote slow, stable failure near seismic to aseismic transitions and under near-lithostatic fluid pressures.

Pore-water extraction from unsaturated tuff by triaxial and one-dimensional compression methods, Nevada Test Site, Nevada

USGS Publications Warehouse

Mower, Timothy E.; Higgins, Jerry D.; Yang, In C.; Peters, Charles A.

1994-01-01

Study of the hydrologic system at Yucca Mountain, Nevada, requires the extraction of pore-water samples from welded and nonwelded, unsaturated tuffs. Two compression methods (triaxial compression and one-dimensional compression) were examined to develop a repeatable extraction technique and to investigate the effects of the extraction method on the original pore-fluid composition. A commercially available triaxial cell was modified to collect pore water expelled from tuff cores. The triaxial cell applied a maximum axial stress of 193 MPa and a maximum confining stress of 68 MPa. Results obtained from triaxial compression testing indicated that pore-water samples could be obtained from nonwelded tuff cores that had initial moisture contents as small as 13 percent (by weight of dry soil). Injection of nitrogen gas while the test core was held at the maximum axial stress caused expulsion of additional pore water and reduced the required initial moisture content from 13 to 11 percent. Experimental calculations, together with experience gained from testing moderately welded tuff cores, indicated that the triaxial cell used in this study could not apply adequate axial or confining stress to expel pore water from cores of densely welded tuffs. This concern led to the design, fabrication, and testing of a one-dimensional compression cell. The one-dimensional compression cell used in this study was constructed from hardened 4340-alloy and nickel-alloy steels and could apply a maximum axial stress of 552 MPa. The major components of the device include a corpus ring and sample sleeve to confine the sample, a piston and base platen to apply axial load, and drainage plates to transmit expelled water from the test core out of the cell. One-dimensional compression extracted pore water from nonwelded tuff cores that had initial moisture contents as small as 7.6 percent; pore water was expelled from densely welded tuff cores that had initial moisture contents as small as 7.7 percent. Injection of nitrogen gas at the maximum axial stress did not produce additional pore water from nonwelded tuff cores, but was critical to recovery of pore water from densely welded tuff cores. Gas injection reduced the required initial moisture content in welded tuff cores from 7.7 to 6.5 percent. Based on the mechanical ability of a pore-water extraction method to remove water from welded and nonwelded tuff cores, one-dimensional compression is a more effective extraction method than triaxial compression. However, because the effects that one-dimensional compression has on pore-water chemistry are not completely understood, additional testing will be needed to verify that this method is suitable for pore-water extraction from Yucca Mountain tuffs.

Nanoengineered field induced charge separation membranes manufacture thereof

DOEpatents

O'Brien, Kevin C.; Haslam, Jeffery J.; Bourcier, William L.; Floyd, III, William Clary

2016-08-02

A device according to one embodiment includes a porous membrane having a surface charge and pore configuration characterized by a double layer overlap effect being present in pores of the membrane, where the porous membrane includes functional groups that preferentially interact with either cations or anions. A device according to another embodiment includes a porous membrane having a surface charge in pores thereof sufficient to impart anion or cation selectivity in the pores. Additional devices, systems and methods are also presented.

Characterization and Quantification of the Pore Structures of the Shale Oil Reservoir Formations in Multiscale

NASA Astrophysics Data System (ADS)

Liu, K.; Ostadhassan, M.

2016-12-01

Due to the fast development of hydraulic fracturing and horizontal drilling, shale formations now are one important resource of energy in North America. Characterizing the pore structure of these shale formations is of critical importance in understanding the original oil/gas in place and also the flow properties of the rock matrix. Pore with different properties such as pore size and pore shape can impact the physical, mechanical and chemical properties including strength, elastic modulus, permeability and conductivity. Nowadays, image analysis has been a robust method to quantify the pore information from the porous medium.SEM has been one of the most useful tools to study the pore microstructures due to its high depth of focus which can provide detailed topographical information about the surface. The suitable difference between solid matrix and pores due to the different gray level pixels can be used to study the pore structures.In this paper, we characterized and quantified the pore structures of rock samples from Middle Bakken Formation which is a typical unconventional reservoir in North America. High resolution SEM images of five samples we chose based on the gamma logs were derived after sample preparation. After determining the threshold of the images, we extracted the pore spaces. Then we analyzed the pore structures properties such as pore size distributions and pore shape distributions of the five samples and compared based on their mineral compositions. After that, we analyzed their heterogeneity and isotropy properties which have been identified as an important factor affecting reservoir productivity. Finally, we studied the impact of scale effect on the pore structures characterization.

Thermo-mechanical mechanism of laser-assisted alteration and stabilization of micro pore structure in eye-sclera

NASA Astrophysics Data System (ADS)

Baum, Olga; Wachsmann-Hogiu, Sebastian; Sobol, Emil

2018-02-01

Thermo-mechanical effect of laser radiation is a basis of new method of normalization of intraocular pressure in glaucomatous eyes due to laser-assisted pore formation in eye sclera. Laser-induced creation of pores in sclera increases hydraulic permeability. Stability of laser-induced pore system is achieved via gas nano-bubbles arisen in the sclera under laser radiation as a result of temperature dependency of gas solubility. The stabilization of laser-induced gas and pore systems in the tissue is an important mechanism for a long lasting healing of glaucoma observed in clinical trials with one year follow-up.

Inertial effects during irreversible meniscus reconfiguration in angular pores

NASA Astrophysics Data System (ADS)

Ferrari, Andrea; Lunati, Ivan

2014-12-01

In porous media, the dynamics of the invading front between two immiscible fluids is often characterized by abrupt reconfigurations caused by local instabilities of the interface. As a prototype of these phenomena we consider the dynamics of a meniscus in a corner as it can be encountered in angular pores. We investigate this process in detail by means of direct numerical simulations that solve the Navier-Stokes equations in the pore space and employ the Volume of Fluid method (VOF) to track the evolution of the interface. We show that for a quasi-static displacement, the numerically calculated surface energy agrees well with the analytical solutions that we have derived for pores with circular and square cross sections. However, the spontaneous reconfigurations are irreversible and cannot be controlled by the injection rate: they are characterized by the amount of surface energy that is spontaneously released and transformed into kinetic energy. The resulting local velocities can be orders of magnitude larger than the injection velocity and they induce damped oscillations of the interface that possess their own time scales and depend only on fluid properties and pore geometry. In complex media (we consider a network of cubic pores) reconfigurations are so frequent and oscillations last long enough that increasing inertial effects leads to a different fluid distribution by influencing the selection of the next pore to be invaded. This calls into question simple pore-filling rules based only on capillary forces. Also, we demonstrate that inertial effects during irreversible reconfigurations can influence the work done by the external forces that is related to the pressure drop in Darcy's law. This suggests that these phenomena have to be considered when upscaling multiphase flow because local oscillations of the menisci affect macroscopic quantities and modify the constitutive relationships to be used in macro-scale models. These results can be extrapolated to other interface instabilities that are at the origin of fast pore-scale events, such as Haines jumps, snap-off and coalescence.

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.

DC power limitation of the heterojunction bipolar transistor with dot geometry: Effect of base potential distribution on thermal runaway

NASA Astrophysics Data System (ADS)

Liou, L. L.; Jenkins, T.; Huang, C. I.

1997-06-01

The d.c. power limitation of a conventional HBT with dot geometry was studied theoretically using combined electro-thermal and transmission line models. In most cases, the thermal runaway occurs at a power level lower than that set by the intrinsic electronic property of the device. The dependence of the d.c. thermal runaway threshold power density, Pmax, on the emitter dot radius and emitter ballast resistance was calculated. Increasing emitter dot radius lowers Pmax. Although ballast resistance increases Pmax, the effect reduces as the emitter dot radius increases. This is caused by the non-uniform potential distribution in the base layer. When thermal runaway is considered, the nonuniform base-emitter potential offsets the improvement of the power handling capability by the physical ballast resistance. Conventional HBTs with a large radius (greater than 4 μm) exhibit a small Pmax caused by thermal effect. This threshold power density can be increased drastically by using the thermal shunt technique.

Exploitation of 3D face-centered cubic mesoporous silica as a carrier for a poorly water soluble drug: influence of pore size on release rate.

PubMed

Zhu, Wenquan; Wan, Long; Zhang, Chen; Gao, Yikun; Zheng, Xin; Jiang, Tongying; Wang, Siling

2014-01-01

The purposes of the present work were to explore the potential application of 3D face-centered cubic mesoporous silica (FMS) with pore size of 16.0nm as a delivery system for poorly soluble drugs and investigate the effect of pore size on the dissolution rate. FMS with different pore sizes (16.0, 6.9 and 3.7nm) was successfully synthesized by using Pluronic block co-polymer F127 as a template and adjusting the reaction temperatures. Celecoxib (CEL), which is a BCS class II drug, was used as a model drug and loaded into FMS with different pore sizes by the solvent deposition method at a drug-silica ratio of 1:4. Characterization using scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transformation infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), nitrogen adsorption, X-ray diffraction (XRD), and differential scanning calorimetry (DSC) was used to systematically investigate the drug loading process. The results obtained showed that CEL was in a non-crystalline state after incorporation of CEL into the pores of FMS-15 with pore size of 16.0nm. In vitro dissolution was carried out to demonstrate the effects of FMS with different pore sizes on the release of CEL. The results obtained indicated that the dissolution rate of CEL from FMS-15 was significantly enhanced compared with pure CEL. This could be explained by supposing that CEL encountered less diffusion resistance and its crystallinity decreased due to the large pore size of 16.0nm and the nanopore channels of FMS-15. Moreover, drug loading and pore size both play an important role in enhancing the dissolution properties for the poorly water-soluble drugs. As the pore size between 3.7 and 16.0nm increased, the dissolution rate of CEL from FMS gradually increased. © 2013.

From bicycle chain ring shape to gear ratio: algorithm and examples.

PubMed

van Soest, A J

2014-01-03

A simple model of the bicycle drive system with a non-circular front chain ring is proposed and an algorithm is devised for calculation of the corresponding Gear Ratio As a Function Of Crank Angle (GRAFOCA). It is shown that the true effective radius of the chain ring is always the perpendicular distance between the crank axis and the line through the chain segment between the chain ring and the cog. It is illustrated that the true effective radius of the chain ring at any crank angle may differ substantially from the maximum vertical distance between the crank axis and the chain ring circumference that is used as a proxy for the effective chain ring radius in several studies; in particular, the crank angle at which the effective chain ring radius is maximal as predicted from the latter approach may deviate by as much as 0.30 rad from the true value. The algorithm proposed may help in designing chain rings that achieve the desired GRAFOCA. © 2013 Published by Elsevier Ltd. All rights reserved.

The effects of pore structure on the behavior of water in lignite coal and activated carbon.

PubMed

Nwaka, Daniel; Tahmasebi, Arash; Tian, Lu; Yu, Jianglong

2016-09-01

The effects of physical structure (pore structure) on behavior of water in lignite coal and activated carbon (AC) samples were investigated by using Differential Scanning Calorimetry (DSC) and low-temperature X-ray diffraction (XRD) techniques. AC samples with different pore structures were prepared at 800°C in steam and the results were compared with that of parent lignite coal. The DSC results confirmed the presence of two types of freezable water that freeze at -8°C (free water) and -42°C (freezable bound water). A shift in peak position of free water (FW) towards lower temperature was observed in AC samples compared to the lignite coal with decreasing water loading. The amount of free water (FW) increased with increasing gasification conversion. The amounts of free and freezable bound water (FBW) in AC samples were calculated and correlated to pore volume and average pore size. The amount of FW in AC samples is well correlated to the pore volume and average pore size of the samples, while an opposite trend was observed for FBW. The low-temperature XRD analysis confirmed the existence of non-freezable water (NFW) in coal and AC with the boundary between the freezable and non-freezable water (NFW) determined. Copyright © 2016 Elsevier Inc. All rights reserved.

Theoretical model of droplet wettability on a low-surface-energy solid under the influence of gravity.

PubMed

Yonemoto, Yukihiro; Kunugi, Tomoaki

2014-01-01

The wettability of droplets on a low surface energy solid is evaluated experimentally and theoretically. Water-ethanol binary mixture drops of several volumes are used. In the experiment, the droplet radius, height, and contact angle are measured. Analytical equations are derived that incorporate the effect of gravity for the relationships between the droplet radius and height, radius and contact angle, and radius and liquid surface energy. All the analytical equations display good agreement with the experimental data. It is found that the fundamental wetting behavior of the droplet on the low surface energy solid can be predicted by our model which gives geometrical information of the droplet such as the contact angle, droplet radius, and height from physical values of liquid and solid.

Relative role of different radii in the dynamics of 8B+58Ni reaction

NASA Astrophysics Data System (ADS)

Kaur, Amandeep; Sandhu, Kirandeep; Sharma, Manoj K.

2018-05-01

In the present work, we intend to analyze the significance of three different radius terms in the framework of dynamical cluster-decay model (DCM) based calculations. In the majority of DCM based calculations the impact of mass- dependent radius R(A) is extensively analyzed. The other two factors on which the radius term may depend are, the neutron- proton asymmetry and the charge of the decaying fragments. Hence, the asymmetry dependent radius term R(I) and charge dependent radius term R(Z) are incorporated in DCM based calculations to investigate their effect on the reaction dynamics involved. Here, we present an extension of an earlier work based on the decay of 66As* compound nucleus by including R(I) and R(Z) radii in addition to the R(A) term. The effect of replacement of R(A) with R(I) and R(Z) is analyzed via fragmentation structure, tunneling probabilities (P) and other barrier characteristics like barrier height (VB), barrier position (RB), barrier turning point Ra etc. The role of temperature, deformations and angular momentum is duly incorporated in the present calculations.

Application of the aqueous porous pathway model to quantify the effect of sodium lauryl sulfate on ultrasound-induced skin structural perturbation.

PubMed

Polat, Baris E; Seto, Jennifer E; Blankschtein, Daniel; Langer, Robert

2011-04-01

This study investigated the effect of sodium lauryl sulfate (SLS) on skin structural perturbation when utilized simultaneously with low-frequency sonophoresis (LFS). Pig full-thickness skin (FTS) and pig split-thickness skin (STS) treated with LFS/SLS and LFS were analyzed in the context of the aqueous porous pathway model to quantify skin perturbation through changes in skin pore radius and porosity-to-tortuosity ratio (ε/τ). In addition, skin treatment times required to attain specific levels of skin electrical resistivity were analyzed to draw conclusions about the effect of SLS on reproducibility and predictability of skin perturbation. We found that LFS/SLS-treated FTS, LFS/SLS-treated STS, and LFS-treated FTS exhibited similar skin perturbation. However, LFS-treated STS exhibited significantly higher skin perturbation, suggesting greater structural changes to the less robust STS induced by the purely physical enhancement mechanism of LFS. Evaluation of ε/τ values revealed that LFS/SLS-treated FTS and STS have similar transport pathways, whereas LFS-treated FTS and STS have lower ε/τ values. In addition, LFS/SLS treatment times were much shorter than LFS treatment times for both FTS and STS. Moreover, the simultaneous use of SLS and LFS not only results in synergistic enhancement, as reflected in the shorter skin treatment times, but also in more predictable and reproducible skin perturbation. Copyright © 2010 Wiley-Liss, Inc.

Gating current studies reveal both intra- and extracellular cation modulation of K+ channel deactivation

PubMed Central

Wang, Zhuren; Zhang, Xue; Fedida, David

1999-01-01

The presence of permeant ions can modulate the rate of gating charge return in wild-type human heart K+ (hKv1.5) channels. Here we employ gating current measurements in a non-conducting mutant, W472F, of the hKv1.5 channel to investigate how different cations can modulate charge return and whether the actions can be specifically localized at the internal as well as the external mouth of the channel pore. Intracellular cations were effective at accelerating charge return in the sequence Cs+ > Rb+ > K+ > Na+ > NMG+. Extracellular cations accelerated charge return with the selectivity sequence Cs+ > Rb+ > Na+ = NMG+. Intracellular and extracellular cation actions were of relatively low affinity. The Kd for preventing slowing of the time constant of the off-gating current decay (τoff) was 20.2 mM for intracellular Cs+ (Csi+) and 358 mM for extracellular Cs+ (Cso+). Both intracellular and extracellular cations can regulate the rate of charge return during deactivation of hKv1.5, but intracellular cations are more effective. We suggest that ion crystal radius is an important determinant of this action, with larger ions preventing slowing more effectively. Important parallels exist with cation-dependent modulation of slow inactivation of ionic currents in this channel. However, further experiments are required to understand the exact relationship between acceleration of charge return and the slowing of inactivation of ionic currents by cations. PMID:10050001

Detecting Pore Fluid Pressure Changes by Using the Vp/Vs Ratio

NASA Astrophysics Data System (ADS)

Vanorio, T.; Mavko, G.

2006-12-01

A central problem in studies aimed at predicting the dynamic behavior of faults is monitoring and quantifying fluid changes in areas prone to overpressure. Experimental and modeling studies show the Vp/Vs ratio to be a good determinant of the saturation state of a rock formation as well as of its inner pore pressure condition. Dectecting pore pressure changes depends, among other causes, on the reliability of laboratory data to calibrate the in-situ measured velocities. Ideally, laboratory experiments performed under controlled conditions would identify the fundamental mechanisms responsible for changes in the measured acoustic properties. However, technical limitations in the laboratory together with the assumptions driving the experimental and modeling approaches rise spouriuos mechanisms which hinder our present understanding of the actual role of high pore pressure on the elastic and poroelastic parameters. Critical issues unclude: a) the frequencies used in the laboratory are responsible for high-frequency fluid effects which induce velocity dispersion. As a result, both the effective stress parameter and velocities (and their pressure-dependence) estimated from high- frequency ultrasonic data are different from those applicable to crustal low frequency wave propagation; b) laboratory measurements made at dry, drained conditions are assumed to mimic those in gas pressured rocks. However, in dry, drained conditions, no pore pressure is exerted in the pore space, and the pore gas is infinitely compressible; c) when using room-dry, drained measurements as the baseline to model pressured rock formations, the unloading path (i.e. decreasing confining pressure) is supposed to mimic the inflationary path due to pore pressure increase. Doing so, it is assumed that the amount of crack opening due to pore pressure is equal to that of crack closure caused by the overburden stress and thus, the effective stress coefficient is implicitely assumed equal to 1. To minimize the assumptions and limitations described above, we designed a laboratory experiment which used gas as pore fluid medium. Experimental results show that in gas-pressured saturated rocks the Vp/Vs ratio, while remaining lower than values reported for liquid saturation conditions, increases with decreasing differential pressure, similarly to the trend observed in liquid saturated rocks.

Model of porous aluminium oxide growth during initial stage of anodization

NASA Astrophysics Data System (ADS)

Aryslanova, E. M.; Alfimov, A. V.; Chivilikhin, S. A.

2014-10-01

Currently, the development of nanotechnology and metamaterials requires the ability to obtain regular self-assembled structures with different parameters. One such structure is porous alumina in which the pores grow perpendicular to the substrate and are hexagonally packed. Pore size and the distance between them can be varied depending on the anodization voltage, the electrolyte and the anodization time (pore diameter - from 2 to 350 nm, the distance between the pores - from 5 to 50 nm). At the moment, there are different models describing the process of anodizing aluminum, in this paper we propose a model that takes into account the effect of layers of aluminum, aluminum oxide, and the electrolyte, as well as the influence of the effect of surface diffusion.

Pore-scale simulation of calcium carbonate precipitation and dissolution under highly supersaturated conditions in a microfludic pore network

NASA Astrophysics Data System (ADS)

Yoon, H.; Dewers, T. A.; Valocchi, A. J.; Werth, C. J.

2011-12-01

Dissolved CO2 during geological CO2 storage may react with minerals in fractured rocks or confined aquifers and cause mineral precipitation. The overall rate of reaction can be affected by coupled processes among hydrodynamics, transport, and reactions at pore-scale. Pore-scale models of coupled fluid flow, reactive transport, and CaCO3 precipitation and dissolution are applied to account for transient experimental results of CaCO3 precipitation and dissolution under highly supersaturated conditions in a microfluidic pore network (i.e., micromodel). Pore-scale experiments in the micromodel are used as a basis for understanding coupled physics of systems perturbed by geological CO2 injection. In the micromodel, precipitation is induced by transverse mixing along the centerline in pore bodies. Overall, the pore-scale model qualitatively captured the governing physics of reactions such as precipitate morphology, precipitation rate, and maximum precipitation area in first few pore spaces. In particular, we found that proper estimation of the effective diffusion coefficient and the reactive surface area is necessary to adequately simulate precipitation and dissolution rates. As the model domain increases, the effect of flow patterns affected by precipitation on the overall reaction rate also increases. The model is also applied to account for the effect of different reaction rate laws on mineral precipitation and dissolution at pore-scale. Reaction rate laws tested include the linear rate law, nonlinear power law, and newly-developed rate law based on in-situ measurements at nano scale in the literature. Progress on novel methods for upscaling pore-scale models for reactive transport are discussed, and are being applied to mineral precipitation patterns observed in natural analogues. H.Y. and T. D. were supported as part of the Center for Frontiers of Subsurface Energy Security, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001114. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Numerical Modeling of Wastewater Injection in the Denver Basin combined disposal zone in northeast Colorado

NASA Astrophysics Data System (ADS)

Brown, M. R. M.; Ge, S.; Sheehan, A. F.

2016-12-01

Previous studies have correlated seismicity with high rate injection at Underground Injection Control Class II wastewater disposal wells. In this study, we examine the impact of injection in the Denver Basin combined disposal zone that is used by numerous Class II wells. The disposal zone includes the Lyons Formation, a sandstone unit, and the Fountain Formation, an arkose unit just above the basement. Within a 30-km radius of the deep Class II injection well (NGL C4A) closest to the June 1, 2014 M3.2 Greeley earthquake, there are fifteen deep wastewater disposal wells injecting into the disposal zone and two shallow wastewater disposal wells injecting into the Lyons Formation only. One of the shallow wells is located at the same disposal facility as NGL-C4A and started injection in October 2004; the earliest deep injection in this region, at well NGL-C6, began in November 2007. The major episode of seismicity in the area started in November 2013. The timing of injection operation and seismicity occurrence raises several questions. Why did seismicity not begin in the area until nearly 10 years after the start of injection? Nine of the deep wastewater disposal wells began injection after the M3.2 earthquake on June 1, 2014; how does the large increase in the number of injection wells in the area change the pore-pressure in the disposal zone? How does the injection from the various wells interact? Does this increase the chances of induced seismicity? We conduct numerical modeling of 18 injection wells from 2004 to 2016 to explore these questions by better understanding the pore-pressure changes through time, pore-pressure changes in areas of induced earthquakes, and the interactions between injection wells. We include the asymmetry of the basin geometry in the model. We also use this case study to refine how well spacing and injection rate influences the occurrence of induced earthquakes.

Effect of Surface Pore Structure of Nerve Guide Conduit on Peripheral Nerve Regeneration

PubMed Central

Oh, Se Heang; Kim, Jin Rae; Kwon, Gu Birm; Namgung, Uk; Song, Kyu Sang

2013-01-01

Polycaprolactone (PCL)/Pluronic F127 nerve guide conduits (NGCs) with different surface pore structures (nano-porous inner surface vs. micro-porous inner surface) but similar physical and chemical properties were fabricated by rolling the opposite side of asymmetrically porous PCL/F127 membranes. The effect of the pore structure on peripheral nerve regeneration through the NGCs was investigated using a sciatic nerve defect model of rats. The nerve fibers and tissues were shown to have regenerated along the longitudinal direction through the NGC with a nano-porous inner surface (Nanopore NGC), while they grew toward the porous wall of the NGC with a micro-porous inner surface (Micropore NGC) and, thus, their growth was restricted when compared with the Nanopore NGC, as investigated by immunohistochemical evaluations (by fluorescence microscopy with anti-neurofilament staining and Hoechst staining for growth pattern of nerve fibers), histological evaluations (by light microscopy with Meyer's modified trichrome staining and Toluidine blue staining and transmission electron microscopy for the regeneration of axon and myelin sheath), and FluoroGold retrograde tracing (for reconnection between proximal and distal stumps). The effect of nerve growth factor (NGF) immobilized on the pore surfaces of the NGCs on nerve regeneration was not so significant when compared with NGCs not containing immobilized NGF. The NGC system with different surface pore structures but the same chemical/physical properties seems to be a good tool that is used for elucidating the surface pore effect of NGCs on nerve regeneration. PMID:22871377

Investigating Hydrophilic Pores in Model Lipid Bilayers using Molecular Simulations: Correlating Bilayer Properties with Pore Formation Thermodynamics

PubMed Central

Hu, Yuan; Sinha, Sudipta Kumar

2015-01-01

Cell-penetrating and antimicrobial peptides show remarkable ability to translocate across physiological membranes. Along with factors such as electric potential induced-perturbations of membrane structure and surface tension effects, experiments invoke pore-like membrane configurations during the solute transfer process into vesicles and cells. The initiation and formation of pores are associated with a non-trivial free energy cost, thus necessitating consideration of the factors associated with pore formation and attendant free energetics. Due to experimental and modeling challenges related to the long timescales of the translocation process, we use umbrella-sampling molecular dynamics simulations with a lipid-density based order parameter to investigate membrane pore-formation free energy employing Martini coarse-grained models. We investigate structure and thermodynamic features of the pore in 18 lipids spanning a range of head-groups, charge states, acyl chain lengths and saturation. We probe the dependence of pore-formation barriers on area per lipid, lipid bilayer thickness, membrane bending rigidities in three different lipid classes. The pore formation free energy in pure bilayers and peptide translocating scenarios are significantly coupled with bilayer thickness. Thicker bilayers require more reversible work to create pores. Pore formation free energy is higher in peptide-lipid systems relative to the peptide-free lipid systems due to penalties to maintain solvation of charged hydrophilic solutes within the membrane environment. PMID:25614183

Ground-based measurements of the solar diameter during the rising phase of solar cycle 24

NASA Astrophysics Data System (ADS)

Meftah, M.; Corbard, T.; Irbah, A.; Ikhlef, R.; Morand, F.; Renaud, C.; Hauchecorne, A.; Assus, P.; Borgnino, J.; Chauvineau, B.; Crepel, M.; Dalaudier, F.; Damé, L.; Djafer, D.; Fodil, M.; Lesueur, P.; Poiet, G.; Rouzé, M.; Sarkissian, A.; Ziad, A.; Laclare, F.

2014-09-01

Context. For the past thirty years, modern ground-based time-series of the solar radius have shown different apparent variations according to different instruments. The origins of these variations may result from the observer, the instrument, the atmosphere, or the Sun. Solar radius measurements have been made for a very long time and in different ways. Yet we see inconsistencies in the measurements. Numerous studies of solar radius variation appear in the literature, but with conflicting results. These measurement differences are certainly related to instrumental effects or atmospheric effects. Use of different methods (determination of the solar radius), instruments, and effects of Earth's atmosphere could explain the lack of consistency on the past measurements. A survey of the solar radius has been initiated in 1975 by Francis Laclare, at the Calern site of the Observatoire de la Côte d'Azur (OCA). Several efforts are currently made from space missions to obtain accurate solar astrometric measurements, for example, to probe the long-term variations of solar radius, their link with solar irradiance variations, and their influence on the Earth climate. Aims: The Picard program includes a ground-based observatory consisting of different instruments based at the Calern site (OCA, France). This set of instruments has been named "Picard Sol" and consists of a Ritchey-Chrétien telescope providing full-disk images of the Sun in five narrow-wavelength bandpasses (centered on 393.37, 535.7, 607.1, 782.2, and 1025.0 nm), a Sun-photometer that measures the properties of atmospheric aerosol, a pyranometer for estimating a global sky-quality index, a wide-field camera that detects the location of clouds, and a generalized daytime seeing monitor allowing us to measure the spatio-temporal parameters of the local turbulence. Picard Sol is meant to perpetuate valuable historical series of the solar radius and to initiate new time-series, in particular during solar cycle 24. Methods: We defined the solar radius by the inflection-point position of the solar-limb profiles taken at different angular positions of the image. Our results were corrected for the effects of refraction and turbulence by numerical methods. Results: From a dataset of more than 20 000 observations carried out between 2011 and 2013, we find a solar radius of 959.78 ± 0.19 arcsec (696 113 ± 138 km) at 535.7 nm after making all necessary corrections. For the other wavelengths in the solar continuum, we derive very similar results. The solar radius observed with the Solar Diameter Imager and Surface Mapper II during the period 2011-2013 shows variations shorter than 50 milli-arcsec that are out of phase with solar activity.

Review of pore network modelling of porous media: Experimental characterisations, network constructions and applications to reactive transport.

PubMed

Xiong, Qingrong; Baychev, Todor G; Jivkov, Andrey P

2016-09-01

Pore network models have been applied widely for simulating a variety of different physical and chemical processes, including phase exchange, non-Newtonian displacement, non-Darcy flow, reactive transport and thermodynamically consistent oil layers. The realism of such modelling, i.e. the credibility of their predictions, depends to a large extent on the quality of the correspondence between the pore space of a given medium and the pore network constructed as its representation. The main experimental techniques for pore space characterisation, including direct imaging, mercury intrusion porosimetry and gas adsorption, are firstly summarised. A review of the main pore network construction techniques is then presented. Particular focus is given on how such constructions are adapted to the data from experimentally characterised pore systems. Current applications of pore network models are considered, with special emphasis on the effects of adsorption, dissolution and precipitation, as well as biomass growth, on transport coefficients. Pore network models are found to be a valuable tool for understanding and predicting meso-scale phenomena, linking single pore processes, where other techniques are more accurate, and the homogenised continuum porous media, used by engineering community. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Compaction and Permeability Reduction of Castlegate Sandstone under Pore Pressure Cycling

NASA Astrophysics Data System (ADS)

Bauer, S. J.

2014-12-01

We investigate time-dependent compaction and permeability changes by cycling pore pressure with application to compressed air energy storage (CAES) in a reservoir. Preliminary experiments capture the impacts of hydrostatic stress, pore water pressure, pore pressure cycling, chemical, and time-dependent considerations near a borehole in a CAES reservoir analog. CAES involves creating an air bubble in a reservoir. The high pressure bubble serves as a mechanical battery to store potential energy. When there is excess grid energy, bubble pressure is increased by air compression, and when there is energy needed on the grid, stored air pressure is released through turbines to generate electricity. The analog conditions considered are depth ~1 km, overburden stress ~20 MPa and a pore pressure ~10MPa. Pore pressure is cycled daily or more frequently between ~10 MPa and 6 MPa, consistent with operations of a CAES facility at this depth and may continue for operational lifetime (25 years). The rock can vary from initially fully-to-partially saturated. Pore pressure cycling changes the effective stress.Jacketed, room temperature tap water-saturated samples of Castlegate Sandstone are hydrostatically confined (20 MPa) and subjected to a pore pressure resulting in an effective pressure of ~10 MPa. Pore pressure is cycled between 6 to 10 MPa. Sample displacement measurements yielded determinations of volumetric strain and from water flow measurements permeability was determined. Experiments ran for two to four weeks, with 2 to 3 pore pressure cycles per day. The Castlegate is a fluvial high porosity (>20%) primarily quartz sandstone, loosely calcite cemented, containing a small amount of clay.Pore pressure cycling induces compaction (~.1%) and permeability decreases (~20%). The results imply that time-dependent compactive processes are operative. The load path, of increasing and decreasing pore pressure, may facilitate local loosening and grain readjustments that results in the compaction and permeability decreases observed. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Dept. of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.SAND2014-16586A

Electrochemically-Driven Insertion of Biological Nanodiscs into Solid State Membrane Pores as a Basis for "Pore-In-Pore" Membranes.

PubMed

Farajollahi, Farid; Seidenstücker, Axel; Altintoprak, Klara; Walther, Paul; Ziemann, Paul; Plettl, Alfred; Marti, Othmar; Wege, Christina; Gliemann, Hartmut

2018-04-13

Nanoporous membranes are of increasing interest for many applications, such as molecular filters, biosensors, nanofluidic logic and energy conversion devices. To meet high-quality standards, e.g., in molecular separation processes, membranes with well-defined pores in terms of pore diameter and chemical properties are required. However, the preparation of membranes with narrow pore diameter distributions is still challenging. In the work presented here, we demonstrate a strategy, a "pore-in-pore" approach, where the conical pores of a solid state membrane produced by a multi-step top-down lithography procedure are used as a template to insert precisely-formed biomolecular nanodiscs with exactly defined inner and outer diameters. These nanodiscs, which are the building blocks of tobacco mosaic virus-deduced particles, consist of coat proteins, which self-assemble under defined experimental conditions with a stabilizing short RNA. We demonstrate that the insertion of the nanodiscs can be driven either by diffusion due to a concentration gradient or by applying an electric field along the cross-section of the solid state membrane. It is found that the electrophoresis-driven insertion is significantly more effective than the insertion via the concentration gradient.

Cavitation and pore blocking in nanoporous glasses.

PubMed

Reichenbach, C; Kalies, G; Enke, D; Klank, D

2011-09-06

In gas adsorption studies, porous glasses are frequently referred to as model materials for highly disordered mesopore systems. Numerous works suggest that an accurate interpretation of physisorption isotherms requires a complete understanding of network effects upon adsorption and desorption, respectively. The present article deals with nitrogen and argon adsorption at different temperatures (77 and 87 K) performed on a series of novel nanoporous glasses (NPG) with different mean pore widths. NPG samples contain smaller mesopores and significantly higher microporosity than porous Vycor glass or controlled pore glass. Since the mean pore width of NPG can be tuned sensitively, the evolution of adsorption characteristics with respect to a broadening pore network can be investigated starting from the narrowest nanopore width. With an increasing mean pore width, a H2-type hysteresis develops gradually which finally transforms into a H1-type. In this connection, a transition from a cavitation-induced desorption toward desorption controlled by pore blocking can be observed. Furthermore, we find concrete hints for a pore size dependence of the relative pressure of cavitation in highly disordered pore systems. By comparing nitrogen and argon adsorption, a comprehensive insight into adsorption mechanisms in novel disordered materials is provided. © 2011 American Chemical Society

Interaction between the Pore and a Fast Gate of the Cardiac Sodium Channel

PubMed Central

Townsend, Claire; Horn, Richard

1999-01-01

Permeant ions affect a fast gating process observed in human cardiac sodium channels (Townsend, C., H.A. Hartmann, and R. Horn. 1997. J. Gen. Physiol. 110:11–21). Removal of extracellular permeant ions causes a reduction of open probability at positive membrane potentials. These results suggest an intimate relationship between the ion-conducting pore and the gates of the channel. We tested this hypothesis by three sets of manipulations designed to affect the binding of cations within the pore: application of intracellular pore blockers, mutagenesis of residues known to contribute to permeation, and chemical modification of a native cysteine residue (C373) near the extracellular mouth of the pore. The coupling between extracellular permeant ions and this fast gating process is abolished both by pore blockers and by a mutation that severely affects selectivity. A more superficial pore mutation or chemical modification of C373 reduces single channel conductance while preserving both selectivity of the pore and the modulatory effects of extracellular cations. Our results demonstrate a modulatory gating role for a region deep within the pore and suggest that the structure of the permeation pathway is largely preserved when a channel is closed. PMID:9925827

Small-angle x-ray scattering investigation of the effect of heating temperature on the submicroscopic pore structure of wood charcoal

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

Schmidt, P.W.; Cutter, B.E.; Kalliat, M.

1984-04-01

In order to learn about the effects of higher preparation temperatures, we recently examined a series of charcoals from black cherry (Prunus serotina Ehrh.) wood heated to temperatures from 600/sup 0/ to 2000/sup 0/C. The results are summarized in this report. In addition to obtaining some information about the pore structure of black cherry charcoal, we have developed a general picture of how the charcoal porosity depends on the temperature to which the wood was heated during pyrolysis. These results have led us to propose that the macropores in charcoals are similar to those in wood and that the mainmore » effect which pyrolysis at temperatures above 400/sup 0/C exerts on the pore structure is to cause the micropores and transitional pores to grow, while leaving the macropores almost unchanged.« less

A Reynolds Number Study of Wing Leading-Edge Effects on a Supersonic Transport Model at Mach 0.3

NASA Technical Reports Server (NTRS)

Williams, M. Susan; Owens, Lewis R., Jr.; Chu, Julio

1999-01-01

A representative supersonic transport design was tested in the National Transonic Facility (NTF) in its original configuration with small-radius leading-edge flaps and also with modified large-radius inboard leading-edge flaps. Aerodynamic data were obtained over a range of Reynolds numbers at a Mach number of 0.3 and angles of attack up to 16 deg. Increasing the radius of the inboard leading-edge flap delayed nose-up pitching moment to a higher lift coefficient. Deflecting the large-radius leading-edge flap produced an overall decrease in lift coefficient and delayed nose-up pitching moment to even higher angles of attack as compared with the undeflected large- radius leading-edge flap. At angles of attack corresponding to the maximum untrimmed lift-to-drag ratio, lift and drag coefficients decreased while lift-to-drag ratio increased with increasing Reynolds number. At an angle of attack of 13.5 deg., the pitching-moment coefficient was nearly constant with increasing Reynolds number for both the small-radius leading-edge flap and the deflected large-radius leading-edge flap. However, the pitching moment coefficient increased with increasing Reynolds number for the undeflected large-radius leading-edge flap above a chord Reynolds number of about 35 x 10 (exp 6).

Anomalous yet Brownian.

PubMed

Wang, Bo; Anthony, Stephen M; Bae, Sung Chul; Granick, Steve

2009-09-08

We describe experiments using single-particle tracking in which mean-square displacement is simply proportional to time (Fickian), yet the distribution of displacement probability is not Gaussian as should be expected of a classical random walk but, instead, is decidedly exponential for large displacements, the decay length of the exponential being proportional to the square root of time. The first example is when colloidal beads diffuse along linear phospholipid bilayer tubes whose radius is the same as that of the beads. The second is when beads diffuse through entangled F-actin networks, bead radius being less than one-fifth of the actin network mesh size. We explore the relevance to dynamic heterogeneity in trajectory space, which has been extensively discussed regarding glassy systems. Data for the second system might suggest activated diffusion between pores in the entangled F-actin networks, in the same spirit as activated diffusion and exponential tails observed in glassy systems. But the first system shows exceptionally rapid diffusion, nearly as rapid as for identical colloids in free suspension, yet still displaying an exponential probability distribution as in the second system. Thus, although the exponential tail is reminiscent of glassy systems, in fact, these dynamics are exceptionally rapid. We also compare with particle trajectories that are at first subdiffusive but Fickian at the longest measurement times, finding that displacement probability distributions fall onto the same master curve in both regimes. The need is emphasized for experiments, theory, and computer simulation to allow definitive interpretation of this simple and clean exponential probability distribution.

Conduction Band-Edge Non-Parabolicity Effects on Impurity States in (In,Ga)N/GaN Cylindrical QWWs

NASA Astrophysics Data System (ADS)

Haddou El, Ghazi; Anouar, Jorio

2014-02-01

In this paper, the conduction band-edge non-parabolicity (NP) and the circular cross-section radius effects on hydrogenic shallow-donor impurity ground-state binding energy in zinc-blende (ZB) InGaN/GaN cylindrical QWWs are reported. The finite potential barrier between (In,Ga)N well and GaN environment is considered. Two models of the conduction band-edge non-parabolicity are taking into account. The variational approach is used within the framework of single band effective-mass approximation with one-parametric 1S-hydrogenic trial wave-function. It is found that NP effect is more pronounced in the wire of radius equal to effective Bohr radius than in large and narrow wires. Moreover, the binding energy peak shifts to narrow wire under NP effect. A good agreement is shown compared to the findings results.

Protein crystal nucleation in pores.

PubMed

Nanev, Christo N; Saridakis, Emmanuel; Chayen, Naomi E

2017-01-16

The most powerful method for protein structure determination is X-ray crystallography which relies on the availability of high quality crystals. Obtaining protein crystals is a major bottleneck, and inducing their nucleation is of crucial importance in this field. An effective method to form crystals is to introduce nucleation-inducing heterologous materials into the crystallization solution. Porous materials are exceptionally effective at inducing nucleation. It is shown here that a combined diffusion-adsorption effect can increase protein concentration inside pores, which enables crystal nucleation even under conditions where heterogeneous nucleation on flat surfaces is absent. Provided the pore is sufficiently narrow, protein molecules approach its walls and adsorb more frequently than they can escape. The decrease in the nucleation energy barrier is calculated, exhibiting its quantitative dependence on the confinement space and the energy of interaction with the pore walls. These results provide a detailed explanation of the effectiveness of porous materials for nucleation of protein crystals, and will be useful for optimal design of such materials.

Effect of the pore water composition on the diffusive anion transport in argillaceous, low permeability sedimentary rocks

NASA Astrophysics Data System (ADS)

Wigger, Cornelia; Van Loon, Luc R.

2018-06-01

The effect of the pore water composition on the diffusive anion transport was studied for two different argillaceous, low permeability sedimentary rocks, Opalinus Clay (OPA) and Helvetic Marl (HM). The samples were saturated with different solutions with varying molar concentration and different main cations in the solution: NaCl based pore solutions and CaCl2 based pore solutions. The total porosity was measured by through-diffusion experiments with the neutral tracer HTO. Experiments performed in NaCl solutions resulted in a porosity of 0.12 for OPA and 0.03 for HM, and are consistent with results of the experiments in CaCl2 solutions. The total porosity was independent of the molar concentration, in contrast to the measured anion porosity, which increased with increasing molar concentration. It could further be observed that the pore solution based on the bivalent cation calcium shielded the negative surface charge stronger than the monovalent cation sodium, resulting in a larger measureable anion-accessible porosity in the case of CaCl2 solutions. The data was modelled based on an adapted Donnan approach of Birgersson and Karnland (2009). The model had to be adjusted with a permanent free, uncharged porosity, as well as with structural information on the permanent anion exclusion because of so-called bottleneck pores. Both parameters can only be evaluated from experiments. Nevertheless, taking these two adaptions into account, the effect of varying pore water compositions on the anion-accessible porosity of the investigated argillaceous rocks could be satisfactorily described.

Effect of the pore water composition on the diffusive anion transport in argillaceous, low permeability sedimentary rocks.

PubMed

Wigger, Cornelia; Van Loon, Luc R

2018-06-01

The effect of the pore water composition on the diffusive anion transport was studied for two different argillaceous, low permeability sedimentary rocks, Opalinus Clay (OPA) and Helvetic Marl (HM). The samples were saturated with different solutions with varying molar concentration and different main cations in the solution: NaCl based pore solutions and CaCl 2 based pore solutions. The total porosity was measured by through-diffusion experiments with the neutral tracer HTO. Experiments performed in NaCl solutions resulted in a porosity of 0.12 for OPA and 0.03 for HM, and are consistent with results of the experiments in CaCl 2 solutions. The total porosity was independent of the molar concentration, in contrast to the measured anion porosity, which increased with increasing molar concentration. It could further be observed that the pore solution based on the bivalent cation calcium shielded the negative surface charge stronger than the monovalent cation sodium, resulting in a larger measureable anion-accessible porosity in the case of CaCl 2 solutions. The data was modelled based on an adapted Donnan approach of Birgersson and Karnland (2009). The model had to be adjusted with a permanent free, uncharged porosity, as well as with structural information on the permanent anion exclusion because of so-called bottleneck pores. Both parameters can only be evaluated from experiments. Nevertheless, taking these two adaptions into account, the effect of varying pore water compositions on the anion-accessible porosity of the investigated argillaceous rocks could be satisfactorily described. Copyright © 2018 Elsevier B.V. All rights reserved.

Porosity control in nanoporous carbide-derived carbon by oxidation in air and carbon dioxide

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

Osswald, S.; Portet, C.; Gogotsi, Y., E-mail: gogotsi@drexel.ed

2009-07-15

Carbide-derived carbons (CDC) allow a precise control over the pore size through the selection of the carbide precursor and varying of the synthesis conditions. However, their pore volume is limited by the carbide stoichiometry. While activation of carbons derived from various organic precursors has been widely studied, this process may similarly be able to increase the pore volume and specific surface area of CDC. Oxidation of carbide-derived carbon in air and CO{sub 2} at different temperatures and times allows for significant increase in pore volume and specific surface area as well as control over average pore size with subnanometer accuracy.more » The effect of activation and associated changes in the pore volume and surface area on the hydrogen uptake are also discussed. - Graphical abstract: Carbide-derived carbons (CDC) provide great potential for sorption of toxicants and gas storage applications. Activation of CDC in air and CO{sub 2} at different temperatures and times is applied in order to maximize pore volume and specific surface area, and control the average pore size with subnanometer accuracy.« less

Pore size distribution and accessible pore size distribution in bituminous coals

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

Sakurovs, Richard; He, Lilin; Melnichenko, Yuri B

2012-01-01

The porosity and pore size distribution of coals determine many of their properties, from gas release to their behavior on carbonization, and yet most methods of determining pore size distribution can only examine a restricted size range. Even then, only accessible pores can be investigated with these methods. Small-angle neutron scattering (SANS) and ultra small-angle neutron scattering (USANS) are increasingly used to characterize the size distribution of all of the pores non-destructively. Here we have used USANS/SANS to examine 24 well-characterized bituminous and subbituminous coals: three from the eastern US, two from Poland, one from New Zealand and the restmore » from the Sydney and Bowen Basins in Eastern Australia, and determined the relationships of the scattering intensity corresponding to different pore sizes with other coal properties. The range of pore radii examinable with these techniques is 2.5 nm to 7 {micro}m. We confirm that there is a wide range of pore sizes in coal. The pore size distribution was found to be strongly affected by both rank and type (expressed as either hydrogen or vitrinite content) in the size range 250 nm to 7 {micro}m and 5 to 10 nm, but weakly in intermediate regions. The results suggest that different mechanisms control coal porosity on different scales. Contrast-matching USANS and SANS were also used to determine the size distribution of the fraction of the pores in these coals that are inaccessible to deuterated methane, CD{sub 4}, at ambient temperature. In some coals most of the small ({approx} 10 nm) pores were found to be inaccessible to CD{sub 4} on the time scale of the measurement ({approx} 30 min - 16 h). This inaccessibility suggests that in these coals a considerable fraction of inherent methane may be trapped for extended periods of time, thus reducing the effectiveness of methane release from (or sorption by) these coals. Although the number of small pores was less in higher rank coals, the fraction of total pores that was inaccessible was not rank dependent. In the Australian coals, at the 10 nm to 50 nm size scales the pores in inertinites appeared to be completely accessible to CD{sub 4}, whereas the pores in the vitrinite were about 75% inaccessible. Unlike the results for total porosity that showed no regional effects on relationships between porosity and coal properties, clear regional differences in the relationships between fraction of closed porosity and coal properties were found. The 10 to 50 nm-sized pores of inertinites of the US and Polish coals examined appeared less accessible to methane than those of the inertinites of Australian coals. This difference in pore accessibility in inertinites may explain why empirical relationships between fluidity and coking properties developed using Carboniferous coals do not apply to Australian coals.« less

On the critical flame radius and minimum ignition energy for spherical flame initiation

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

Chen, Zheng; Burke, M. P.; Ju, Yiguang

2011-01-01

Spherical flame initiation from an ignition kernel is studied theoretically and numerically using different fuel/oxygen/helium/argon mixtures (fuel: hydrogen, methane, and propane). The emphasis is placed on investigating the critical flame radius controlling spherical flame initiation and its correlation with the minimum ignition energy. It is found that the critical flame radius is different from the flame thickness and the flame ball radius and that their relationship depends strongly on the Lewis number. Three different flame regimes in terms of the Lewis number are observed and a new criterion for the critical flame radius is introduced. For mixtures with Lewis numbermore » larger than a critical Lewis number above unity, the critical flame radius is smaller than the flame ball radius but larger than the flame thickness. As a result, the minimum ignition energy can be substantially over-predicted (under-predicted) based on the flame ball radius (the flame thickness). The results also show that the minimum ignition energy for successful spherical flame initiation is proportional to the cube of the critical flame radius. Furthermore, preferential diffusion of heat and mass (i.e. the Lewis number effect) is found to play an important role in both spherical flame initiation and flame kernel evolution after ignition. It is shown that the critical flame radius and the minimum ignition energy increase significantly with the Lewis number. Therefore, for transportation fuels with large Lewis numbers, blending of small molecule fuels or thermal and catalytic cracking will significantly reduce the minimum ignition energy.« less

Effect analysis of intradermal hyaluronic acid injection to treat enlarged facial pores.

PubMed

Qian, Wei; Zhang, Yan-Kun; Hou, Ying; Lyu, Wei; Cao, Qian; Li, Yan-Qi; Fan, Ju-Feng

2017-08-08

To investigate the clinical application and efficacy of intradermal injection of low molecular weight hyaluronic acid (LMW-HA) for treating enlarged facial pores. From January 2015 to May 2016, 42 subjects who sought aesthetic treatment underwent intradermal injection of LMW-HA to improve enlarged facial pores. For each treatment, 2.5 mL (25 mg) of LMW-HA was injected into the skin of the full face. The treatment was repeated 2-5 times with an interval of 1 to 1.5 months between consecutive treatments. The postoperative follow-up period was 1 to 6 months. Statistical analysis was used to compare the degree of enlargement of facial pores before and after injection. The clinical efficacy and adverse effects were recorded. The enlarged facial pores before and after treatment were categorized and subjected to the Wilcoxon matched-pairs signed-rank test. The difference was statistically significant (P<.01). The improvement rate was 40.03±18.41%. No infection, nodules, or pigmentation was reported at the injection sites in the subjects who sought aesthetic treatment. The overall satisfaction rate was 92.8%. Intradermal injection of LMW-HA can significantly improve skin texture, reduce pore size, and enhance skin radiance. The injection technique was simple, safe, and effective and could easily be extended to clinical practice. © 2017 Wiley Periodicals, Inc.

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

Lian, Cheng; Univ. of California, Riverside, CA; Liu, Honglai

The ionophobicity effect of nanoporous electrodes on the capacitance and the energy storage capacity of nonaqueous-electrolyte supercapacitors is studied by means of the classical density functional theory (DFT). It has been hypothesized that ionophobic nanopores may create obstacles in charging, but they store energy much more efficiently than ionophilic pores. In this paper, we find that, for both ionic liquids and organic electrolytes, an ionophobic pore exhibits a charging behavior different from that of an ionophilic pore, and that the capacitance–voltage curve changes from a bell shape to a two-hump camel shape when the pore ionophobicity increases. For electric-double-layer capacitorsmore » containing organic electrolytes, an increase in the ionophobicity of the nanopores leads to a higher capacity for energy storage. Without taking into account the effects of background screening, the DFT predicts that an ionophobic pore containing an ionic liquid does not enhance the supercapacitor performance within the practical voltage ranges. However, by using an effective dielectric constant to account for ion polarizability, the DFT predicts that, like an organic electrolyte, an ionophobic pore with an ionic liquid is also able to increase the energy stored when the electrode voltage is beyond a certain value. We find that the critical voltage for an enhanced capacitance in an ionic liquid is larger than that in an organic electrolyte. Finally, our theoretical predictions provide further understanding of how chemical modification of porous electrodes affects the performance of supercapacitors.« less

Direct pore-scale reactive transport modelling of dynamic wettability changes induced by surface complexation

NASA Astrophysics Data System (ADS)

Maes, Julien; Geiger, Sebastian

2018-01-01

Laboratory experiments have shown that oil production from sandstone and carbonate reservoirs by waterflooding could be significantly increased by manipulating the composition of the injected water (e.g. by lowering the ionic strength). Recent studies suggest that a change of wettability induced by a change in surface charge is likely to be one of the driving mechanism of the so-called low-salinity effect. In this case, the potential increase of oil recovery during waterflooding at low ionic strength would be strongly impacted by the inter-relations between flow, transport and chemical reaction at the pore-scale. Hence, a new numerical model that includes two-phase flow, solute reactive transport and wettability alteration is implemented based on the Direct Numerical Simulation of the Navier-Stokes equations and surface complexation modelling. Our model is first used to match experimental results of oil droplet detachment from clay patches. We then study the effect of wettability change on the pore-scale displacement for simple 2D calcite micro-models and evaluate the impact of several parameters such as water composition and injected velocity. Finally, we repeat the simulation experiments on a larger and more complex pore geometry representing a carbonate rock. Our simulations highlight two different effects of low-salinity on oil production from carbonate rocks: a smaller number of oil clusters left in the pores after invasion, and a greater number of pores invaded.

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

Jomekian, A.; Faculty of Chemical Engineering, Iran University of Science and Technology; Behbahani, R.M., E-mail: behbahani@put.ac.ir

Ultra porous ZIF-8 particles synthesized using PEO/PA6 based poly(ether-block-amide) (Pebax 1657) as structure directing agent. Structural properties of ZIF-8 samples prepared under different synthesis parameters were investigated by laser particle size analysis, XRD, N{sub 2} adsorption analysis, BJH and BET tests. The overall results showed that: (1) The mean pore size of all ZIF-8 samples increased remarkably (from 0.34 nm to 1.1–2.5 nm) compared to conventionally synthesized ZIF-8 samples. (2) Exceptional BET surface area of 1869 m{sup 2}/g was obtained for a ZIF-8 sample with mean pore size of 2.5 nm. (3) Applying high concentrations of Pebax 1657 to themore » synthesis solution lead to higher surface area, larger pore size and smaller particle size for ZIF-8 samples. (4) Both, Increase in temperature and decrease in molar ratio of MeIM/Zn{sup 2+} had increasing effect on ZIF-8 particle size, pore size, pore volume, crystallinity and BET surface area of all investigated samples. - Highlights: • The pore size of ZIF-8 samples synthesized with Pebax 1657 increased remarkably. • The BET surface area of 1869 m{sup 2}/gr obtained for a ZIF-8 synthesized sample with Pebax. • Increase in temperature had increasing effect on textural properties of ZIF-8 samples. • Decrease in MeIM/Zn{sup 2+} had increasing effect on textural properties of ZIF-8 samples.« less

Tram Squealing Noise and Its Impact on Human Health

PubMed Central

Panulinová, Eva; Harabinová, Slávka; Argalášová, Lubica

2016-01-01

Introduction: Tramway has become a serious urban noise source in densely populated areas. The disturbance from squealing noise is significant. Curve squeal is the very loud, tonal noise emitted by tram operation in tight radius curves. Studies had reported a relationship between noise levels and health effects, such as annoyance, sleep disturbance, and elevated systolic and diastolic blood pressure. Materials and Methods: This study aimed to analyze the wheel squeal noise along the tramway line in Košice, Slovakia, review the effects on human health, and discuss its inclusion in the design method. To observe the influence of a track curve on noise emission, several measurement points were selected, and the noise emission was measured both in the curve and in the straight lines employing the same type of permanent way. Results: The results in the sections with the radius below 50 m were greatly affected by the presence of a squeal noise, while the resulting noise level in the sections with the radius above 50 m depended on their radius. The difference between the average values of LAeq with and without the squeal in the measurement points with the radius below 50 m was 9 dB. The difference between the measurements in the curve sections with the radius below 50 m and those in the straight line was 2.7 dB. Conclusion: The resulting noise level in general was influenced by the car velocity and the technical shape of the permanent way. These results can be used in noise prognoses and in the health effect predictions. PMID:27991464

Factors affecting plant growth in membrane nutrient delivery

NASA Technical Reports Server (NTRS)

Dreschel, T. W.; Wheeler, R. M.; Sager, J. C.; Knott, W. M.

1990-01-01

The development of the tubular membrane plant growth unit for the delivery of water and nutrients to roots in microgravity has recently focused on measuring the effects of changes in physical variables controlling solution availability to the plants. Significant effects of membrane pore size and the negative pressure used to contain the solution were demonstrated. Generally, wheat grew better in units with a larger pore size but equal negative pressure and in units with the same pore size but less negative pressure. Lettuce also exhibited better plant growth at less negative pressure.

Goos-Hänchen effect on Si thin films with spherical and cylindrical pores

NASA Astrophysics Data System (ADS)

Olaya, Cherrie May; Garcia, Wilson O.; Hermosa, Nathaniel

2018-02-01

We examine the effects on the spatial and angular Goos-Hanchen (GH) beam shifts of spherical and cylindrical pores in a thin film. In our calculations, a p-polarized light is incident on a 1-μm thick porous silicon (Si) thin film on a Si substrate. The beam shifts are within the measurement range of usual optical detectors. Our results show that a technique based on GH shift can be used to determine the porosity and pore structure of thin films at a given thickness.

Possible pore size effects on the state of tris(8-quinolinato)aluminum(III) (Alq3) adsorbed in mesoporous silicas and their temperature dependence.

PubMed

Tagaya, Motohiro; Ogawa, Makoto

2008-12-07

The states of tris(8-quinolinato)aluminum(III) (Alq3) adsorbed in mesoporous silicas with different pore sizes (2.5, 3.1 and 5.0 nm) were investigated. Alq3 was successfully occluded into the mesoporous silicas from solution and the adsorbed amount of Alq3 per BET surface area was effectively controlled by changing the added amount Alq3 to the solution. The state of Alq3 in the mesopore varied depending on the pore size as well as the adsorbed amount of Alq3 as revealed by variation of the photoluminescence spectra. The luminescence of the adsorbed Alq3 was found to be temperature-dependent, indicating the mobility of the adsorbed Alq3 to temperature variations. The temperature-dependence also depended on the pore size. The guest-guest interactions between Alq3 molecules as well as the host-guest interactions between Alq3 and the mesopore were controlled by the pore size.

Facile fabrication of BiVO4 nanofilms with controlled pore size and their photoelectrochemical performances

NASA Astrophysics Data System (ADS)

Feng, Chenchen; Jiao, Zhengbo; Li, Shaopeng; Zhang, Yan; Bi, Yingpu

2015-12-01

We demonstrate a facile method for the rational fabrication of pore-size controlled nanoporous BiVO4 photoanodes, and confirmed that the optimum pore-size distributions could effectively absorb visible light through light diffraction and confinement functions. Furthermore, in situ X-ray photoelectron spectroscopy (XPS) reveals more efficient photoexcited electron-hole separation than conventional particle films, induced by light confinement and rapid charge transfer in the inter-crossed worm-like structures.We demonstrate a facile method for the rational fabrication of pore-size controlled nanoporous BiVO4 photoanodes, and confirmed that the optimum pore-size distributions could effectively absorb visible light through light diffraction and confinement functions. Furthermore, in situ X-ray photoelectron spectroscopy (XPS) reveals more efficient photoexcited electron-hole separation than conventional particle films, induced by light confinement and rapid charge transfer in the inter-crossed worm-like structures. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06584d

Effect of Cavity Size of Mesoporous Silica on Short DNA Duplex Stability.

PubMed

Masuda, Tsubasa; Shibuya, Yuuta; Arai, Shota; Kobayashi, Sayaka; Suzuki, Sotaro; Kijima, Jun; Itoh, Tetsuji; Sato, Yusuke; Nishizawa, Seiichi; Yamaguchi, Akira

2018-05-15

We studied the stabilities of short (4- and 3-bp) DNA duplexes within silica mesopores modified with a positively charged trimethyl aminopropyl (TMAP) monolayer (BJH pore diameter 1.6-7.4 nm). The DNA fragments with fluorescent dye were introduced into the pores, and their fluorescence resonance energy transfer (FRET) response was measured to estimate the structuring energies of the short DNA duplexes under cryogenic conditions (temperature 233-323 K). The results confirmed the enthalpic stability gain of the duplex within size-matched pores (1.6 and 2.3 nm). The hybridization equilibrium constants found for the size-matched pores were 2 orders of magnitude larger than those for large pores (≥3.5 nm), and this size-matching effect for the enhanced duplex stability was explained by a tight electrostatic interaction between the duplex and the surface TMAP groups. These results indicate the requirement of the precise regulation of mesopore size to ensure the stabilization of hydrogen-bonded supramolecular assemblies.

Improved transfer of graphene for gated Schottky-junction, vertical, organic, field-effect transistors.

PubMed

Lemaitre, Maxime G; Donoghue, Evan P; McCarthy, Mitchell A; Liu, Bo; Tongay, Sefaattin; Gila, Brent; Kumar, Purushottam; Singh, Rajiv K; Appleton, Bill R; Rinzler, Andrew G

2012-10-23

An improved process for graphene transfer was used to demonstrate high performance graphene enabled vertical organic field effect transistors (G-VFETs). The process reduces disorder and eliminates the polymeric residue that typically plagues transferred films. The method also allows for purposely creating pores in the graphene of a controlled areal density. Transconductance observed in G-VFETs fabricated with a continuous (pore-free) graphene source electrode is attributed to modulation of the contact barrier height between the graphene and organic semiconductor due to a gate field induced Fermi level shift in the low density of electronic-states graphene electrode. Pores introduced in the graphene source electrode are shown to boost the G-VFET performance, which scales with the areal pore density taking advantage of both barrier height lowering and tunnel barrier thinning. Devices with areal pore densities of 20% exhibit on/off ratios and output current densities exceeding 10(6) and 200 mA/cm(2), respectively, at drain voltages below 5 V.

How Pore-Fluid Pressure due to Heavy Rainfall Influences Volcanic Eruptions, Example of 1998 and 2008 Eruptions of Cerro Azul (Galapagos)

NASA Astrophysics Data System (ADS)

Albino, F.; Amelung, F.; Gregg, P. M.

2016-12-01

About 30 worldwide seismic studies have shown a strong correlation between rainfall and earthquakes in the past 22 years (e.g. Costain and Bollinger, 2010). Such correlation has been explained by the phenomenon of hydro-seismicity via pore pressure diffusion: an increase of pore-fluid in the upper crust reduces the normal stress on faults, which can trigger shear failure. Although this pore pressure effect is widely known for earthquakes, this phenomenon and more broadly poro-elasticity process are not widely studied on volcanoes. However, we know from our previous works that tensile failures that open to propagate magma through the surface are also pore pressure dependent. We have demonstrated that an increase of pore pressure largely reduces the overpressure required to rupture the magma reservoir. We have shown that the pore pressure has more influence on reservoir stability than other parameters such as the reservoir depth or the edifice loading. Here, we investigate how small pore-fluid changes due to hydrothermal or aquifer refill during heavy rainfall may perturb the conditions of failure around magma reservoirs and, what is more, if these perturbations are enough to trigger magma intrusions. We quantify the pore pressure effect on magmatic system by combining 1) 1D pore pressure diffusion model to quantify how pore pressure changes from surface to depth after heavy rainfall events and 2) 2D poro-elastic numerical model to provide the evolution of failure conditions of the reservoir as a consequence of these pore pressure changes. Sensitivity analysis is also performed to characterize the influence on our results of the poro-elastic parameters (hydraulic diffusivity, permeability and porosity) and the geometry of the magma reservoir and the aquifer (depth, size, shape). Finally, we apply our methodology to Cerro Azul volcano (Galapagos) where both last eruptions (1998 and 2008) occurred just after heavy rainfall events, without any pre-eruptive inflation. In the event eruptions can be triggered by pore pressure changes in the crust, meteorological records and water table measurements are required to improve eruption's forecast, especially in regions where heavy rainfall events (typhoons, monsoons or hurricanes) frequently occur, such as in Indonesia, Philippines or Central America.

The effect of synthesis parameters on the geometry and dimensions of mesoporous hydroxyapatite nanoparticles in the presence of 1-dodecanethiol as a pore expander.

PubMed

Bakhtiari, L; Rezaie, H R; Javadpour, J; Erfan, M; Shokrgozar, M A

2015-08-01

Mesoporous hydroxyapatite with different pore diameters and pore volumes were synthesized by the self-assembly method using Cetyltrimethylammonium bromide (CTAB) as the cationic surfactant and 1-dodecanethiol as the pore expander at different micellization pHs, solvent types and surfactant concentrations. Results of field emission scanning electron microscopy (FESEM) showed a decrease in length/diameter ratio of rod-like particles by an increase in micellization pH and also a sphere to rod transition in morphology by an increase in CTAB concentration. Brunauer-Emmett-Teller (BET) surface area and Low angle X-ray diffraction analysis revealed that the optimized mesoporous hydroxyapatite with controlled pore structure can be obtained under basic micellization pH (about 12, pH of complete ionization of 1-dodecanethiol) by using water as the solvent and a high content of cationic surfactant. The results also show that micellization pH has a strong effect on pore structure and changing the pH can shift the mesostructure to a macroporous structure with morphological changes. Copyright © 2015 Elsevier B.V. All rights reserved.

Characterisation of Weibel-Palade body fusion by amperometry in endothelial cells reveals fusion pore dynamics and the effect of cholesterol on exocytosis.

PubMed

Cookson, Emma A; Conte, Ianina L; Dempster, John; Hannah, Matthew J; Carter, Tom

2013-12-01

Regulated secretion from endothelial cells is mediated by Weibel-Palade body (WPB) exocytosis. Plasma membrane cholesterol is implicated in regulating secretory granule exocytosis and fusion pore dynamics; however, its role in modulating WPB exocytosis is not clear. To address this we combined high-resolution electrochemical analysis of WPB fusion pore dynamics, by amperometry, with high-speed optical imaging of WPB exocytosis following cholesterol depletion or supplementation in human umbilical vein endothelial cells. We identified serotonin (5-HT) immunoreactivity in WPBs, and VMAT1 expression allowing detection of secreted 5-HT as discrete current spikes during exocytosis. A high proportion of spikes (∼75%) had pre-spike foot signals, indicating that WPB fusion proceeds via an initial narrow pore. Cholesterol depletion significantly reduced pre-spike foot signal duration and increased the rate of fusion pore expansion, whereas cholesterol supplementation had broadly the reverse effect. Cholesterol depletion slowed the onset of hormone-evoked WPB exocytosis, whereas its supplementation increased the rate of WPB exocytosis and hormone-evoked proregion secretion. Our results provide the first analysis of WPB fusion pore dynamics and highlight an important role for cholesterol in the regulation of WPB exocytosis.

Very High Cycle Fatigue Behavior of a Directionally Solidified Ni-Base Superalloy DZ4

PubMed Central

Nie, Baohua; Zhao, Zihua; Liu, Shu; Chen, Dongchu; Ouyang, Yongzhong; Hu, Zhudong; Fan, Touwen; Sun, Haibo

2018-01-01

The effect of casting pores on the very high cycle fatigue (VHCF) behavior of a directionally solidified (DS) Ni-base superalloy DZ4 is investigated. Casting and hot isostatic pressing (HIP) specimens were subjected to very high cycle fatigue loading in an ambient atmosphere. The results demonstrated that the continuously descending S-N curves were exhibited for both the casting and HIP specimens. Due to the elimination of the casting pores, the HIP samples had better fatigue properties than the casting samples. The subsurface crack initiated from the casting pore in the casting specimens at low stress amplitudes, whereas fatigue crack initiated from crystallographic facet decohesion for the HIP specimens. When considering the casting pores as initial cracks, there exists a critical stress intensity threshold ranged from 1.1 to 1.3 MPam, below which fatigue cracks may not initiate from the casting pores. Furthermore, the effect of the casting pores on the fatigue limit is estimated based on a modified El Haddad model, which is in good agreement with the experimental results. Fatigue life for both the casting and HIP specimens is well predicted using the Fatigue Indicator Parameter (FIP) model. PMID:29320429

Pore-scale Analysis of the effects of Contact Angle Hysteresis on Blob Mobilization in a Pore Doublet

NASA Astrophysics Data System (ADS)

Hsu, Shao-Yiu; Glantz, Roland; Hilpert, Markus

2011-11-01

The mobilization of residual oil blobs in porous media is of major interest to the petroleum industry. We studied the Jamin effect, which hampers the blob mobilization, experimentally in a pore doublet model and explain the Jamin effect through contact angle hysteresis. A liquid blob was trapped in one of the tubes of the pore doublet model and then subjected to different pressure gradients. We measured the contact angles (in 2D and 3D) as well as the mean curvatures of the blob. Due to gravity effects and hysteresis, the contact angles of the blob were initially (zero pressure gradient) non-uniform and exhibited a pronounced altitude dependence. As the pressure gradient was increased, the contact angles became more uniform and the altitude dependence of the contact angle decreased. At the same time, the mean curvature of the drainage interface increased, and the mean curvature of the imbibition interface decreased. The pressure drops across the pore model, which we inferred with our theory from the measured contact angles and mean curvatures, were in line with the directly measured pressure data. We not only show that a trapped blob can sustain a finite pressure gradient but also develop methods to measure the contact angles and mean curvatures in 3D.

The effects of chain length, embedded polar groups, pressure, and pore shape on structure and retention in reversed-phase liquid chromatography: molecular-level insights from Monte Carlo simulations.

PubMed

Rafferty, Jake L; Siepmann, J Ilja; Schure, Mark R

2009-03-20

Particle-based simulations using the configurational-bias and Gibbs ensemble Monte Carlo techniques are carried out to probe the effects of various chromatographic parameters on bonded-phase chain conformation, solvent penetration, and retention in reversed-phase liquid chromatography (RPLC). Specifically, we investigate the effects due to the length of the bonded-phase chains (C(18), C(8), and C(1)), the inclusion of embedded polar groups (amide and ether) near the base of the bonded-phase chains, the column pressure (1, 400, and 1000 atm), and the pore shape (planar slit pore versus cylindrical pore with a 60A diameter). These simulations utilize a bonded-phase coverage of 2.9 micromol/m(2)and a mobile phase containing methanol at a molfraction of 33% (about 50% by volume). The simulations show that chain length, embedded polar groups, and pore shape significantly alter structural and retentive properties of the model RPLC system, whereas the column pressure has a relatively small effect. The simulation results are extensively compared to retention measurements. A molecular view of the RPLC retention mechanism emerges that is more complex than can be inferred from thermodynamic measurements.

Multiscale pore networks and their effect on deformation and transport property alteration associated with hydraulic fracturing

NASA Astrophysics Data System (ADS)

Daigle, Hugh; Hayman, Nicholas; Jiang, Han; Tian, Xiao; Jiang, Chunbi

2017-04-01

Multiple lines of evidence indicate that, during a hydraulic fracture stimulation, the permeability of the unfractured matrix far from the main, induced tensile fracture increases by one to two orders of magnitude. This permeability enhancement is associated with pervasive shear failure in a large region surrounding the main induced fracture. We have performed low-pressure gas sorption, mercury intrusion, and nuclear magnetic resonance measurements along with high-resolution scanning electron microscope imaging on several preserved and unpreserved shale samples from North American basins before and after inducing failure in confined compressive strength tests. We have observed that the pore structure in intact samples exhibits multiscale behavior, with sub-micron-scale pores in organic matter connected in isolated, micron-scale clusters which themselves are connected to each other through a network of microcracks. The organic-hosted pore networks are poorly connected due to a significant number of dead-end pores within the organic matter. Following shear failure, we often observe an increase in pore volume in the sub-micron range, which appears to be related to the formation of microcracks that propagate along grain boundaries and other planes of mechanical strength contrast. This is consistent with other experimental and field evidence. In some cases these microcracks cross or terminate in organic matter, intersecting the organic-hosted pores. The induced microcrack networks typically have low connectivity and do not appreciably increase the connectivity of the overall pore network. However, in other cases the shear deformation results in an overall pore volume decrease; samples which exhibit this behavior tend to have more clay minerals. Our interpretation of these phenomena is as follows. As organic matter is converted to hydrocarbons, organic-hosted pores develop, and the hydrocarbons contained in these pores are overpressured. The disconnected nature of these clusters of organic-hosted pores prevents the overpressure from dissipating, resulting in localized overpressure at the micron scale. When the rock is subjected to a hydraulic fracture stimulation, the rock surrounding the main induced fracture experiences shear deformation. Those parts of the rock that contain overpressured fluids in the organic-hosted pores will be more likely to experience dilatancy in the form of brittle deformation; the portions of the rock lacking in organic-hosted pores will tend to experience compactive shear failure since the effective normal stresses are larger. The microcrack networks that propagate into the regions of organic-hosted porosity allow the hydrocarbons resident in those pores to migrate to the main induced tensile fractures. The disconnected nature of the microcrack networks causes only a slight increase in permeability, which is consistent with other observations. Our work illustrates how multiscale pore networks in shale interact with in situ stresses to affect the bulk shale rheology.

Polymer translocation under time-dependent driving forces: resonant activation induced by attractive polymer-pore interactions.

PubMed

Ikonen, Timo; Shin, Jaeoh; Sung, Wokyung; Ala-Nissila, Tapio

2012-05-28

We study the driven translocation of polymers under time-dependent driving forces using N-particle Langevin dynamics simulations. We consider the force to be either sinusoidally oscillating in time or dichotomic noise with exponential correlation time, to mimic both plausible experimental setups and naturally occurring biological conditions. In addition, we consider both the case of purely repulsive polymer-pore interactions and the case with additional attractive polymer-pore interactions, typically occurring inside biological pores. We find that the nature of the interaction fundamentally affects the translocation dynamics. For the non-attractive pore, the translocation time crosses over to a fast translocation regime as the frequency of the driving force decreases. In the attractive pore case, because of a free energy well induced inside the pore, the translocation time can be a minimum at the optimal frequency of the force, the so-called resonant activation. In the latter case, we examine the effect of various physical parameters on the resonant activation, and explain our observations using simple theoretical arguments.

Preliminary Investigation on the Behavior of Pore Air Pressure During Rainfall Infiltration

NASA Astrophysics Data System (ADS)

Ashraf Mohamad Ismail, Mohd; Min, Ng Soon; Hasliza Hamzah, Nur; Hazreek Zainal Abidin, Mohd; Madun, Aziman; Tajudin, Saiful Azhar Ahmad

2018-04-01

This paper focused on the preliminary investigation of pore air pressure behaviour during rainfall infiltration in order to substantiate the mechanism of rainfall induced slope failure. The actual behaviour or pore air pressure during infiltration is yet to be clearly understood as it is regularly assumed as atmospheric. Numerical modelling of one dimensional (1D) soil column was utilized in this study to provide a preliminary insight of this highlighted uncertainty. Parametric study was performed by using rainfall intensities of 1.85 x 10-3m/s and 1.16 x 10-4m/s applied on glass beads to simulate intense and modest rainfall conditions. Analysis results show that the high rainfall intensity causes more development of pore air pressure compared to low rainfall intensity. This is because at high rainfall intensity, the rainwater cannot replace the pore air smoothly thus confining the pore air. Therefore, the effect of pore air pressure has to be taken into consideration particularly during heavy rainfall.

Solute mixing regulates heterogeneity of mineral precipitation in porous media: Effect of Solute Mixing on Precipitation

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

Cil, Mehmet B.; Xie, Minwei; Packman, Aaron I.

Synchrotron X-ray microtomography was used to track the spatiotemporal evolution of mineral precipitation and the consequent alteration of the pore structure. Column experiments were conducted by injecting CaCl2 and NaHCO3 solutions into granular porous media either as a premixed supersaturated solution (external mixing) or as separate solutions that mixed within the specimen (internal mixing). The two mixing modes produced distinct mineral growth patterns. While internal mixing promoted transverse heterogeneity with precipitation at the mixing zone, external mixing favored relatively homogeneous precipitation along the flow direction. The impact of precipitation on pore water flow and permeability was assessed via 3-D flowmore » simulations, which indicated anisotropic permeability evolution for both mixing modes. Under both mixing modes, precipitation decreased the median pore size and increased the skewness of the pore size distribution. Such similar pore-scale evolution patterns suggest that the clogging of individual pores depends primarily on local supersaturation state and pore geometry.« less