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

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

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

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.

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

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.

Three mechanisms model of shale gas in real state transport through a single nanopore

NASA Astrophysics Data System (ADS)

Li, Dongdong; Zhang, Yanyu; Sun, Xiaofei; Li, Peng; Zhao, Fengkai

2018-02-01

At present, the apparent permeability models of shale gas consider only the viscous flow and Knudsen diffusion of free gas, but do not take into account the influence of surface diffusion. Moreover, it is assumed that shale gas is in ideal state. In this paper, shale gas is assumed in real state, a new apparent permeability model for shale gas transport through a single nanopore is developed that captures many important migration mechanisms, such as viscous flow and Knudsen diffusion of free gas, surface diffusion of adsorbed gas. According to experimental data, the accuracy of apparent permeability model was verified. What’s more, the effects of pressure and pore radius on apparent permeability, and the effects on the permeability fraction of viscous flow, Knudsen diffusion and surface diffusion were analysed, separately. Finally, the results indicate that the error of the developed model in this paper was 3.02%, which is less than the existing models. Pressure and pore radius seriously affect the apparent permeability of shale gas. When the pore radius is small or pressure is low, the surface diffusion cannot be ignored. When the pressure and the pore radius is big, the viscous flow occupies the main position.

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.

A New Dual-Pore Formation Factor Model: A Percolation Network Study and Comparison to Experimental Data

NASA Astrophysics Data System (ADS)

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

2014-12-01

We modeled the electrical transport behavior of dual-pore carbonate rocks in this paper. Based on experimental data of a carbonate reservoir in China, we simply considered the low porosity samples equivalent to the matrix (micro-pore system) of the high porosity samples. For modeling the bimodal porous media, we considered that the matrix is homogeneous and interconnected. The connectivity and the pore size distribution of macro-pore system are varied randomly. Both pore systems are supposed to act electrically in parallel, connected at the nodes, where the fluid exchange takes place, an approach previously used by Bauer et al. (2012). Then, the effect of the properties of matrix, the pore size distribution and connectivity of macro-pore system on petrophysical properties of carbonates can be investigated. We simulated electrical current through networks in three-dimensional simple cubic (SC) and body-center cubic (BCC) with different coordination numbers and different pipe radius distributions of macro-pore system. Based on the simulation results, we found that the formation factor obeys a "universal" scaling relationship (i.e. independent of lattice type), 1/F∝eγz, where γ is a function of the normalized standard deviation of the pore radius distribution of macro-pore system and z is the coordination number of macro-pore system. This relationship is different from the classic "universal power law" in percolation theory. A formation factor model was inferred on the basis of the scaling relationship mentioned above and several scale-invariant quantities (such as hydraulic radius rH and throat length l of macro-pore). Several methods were developed to estimate corresponding parameters of the new model with conventional core analyses. It was satisfactorily tested against experimental data, including some published experimental data. Furthermore, the relationship between water saturation and resistivity in dual-pore carbonates was discussed based on the new model.

Electroosmosis in a Finite Cylindrical Pore: Simple Models of End Effects

PubMed Central

2015-01-01

A theoretical model of electroosmosis through a circular pore of radius a that traverses a membrane of thickness h is investigated. Both the cylindrical surface of the pore and the outer surfaces of the membrane are charged. When h ≫ a, end effects are negligible, and the results of full numerical computations of electroosmosis in an infinite pore agree with theory. When h = 0, end effects dominate, and computations again agree with analysis. For intermediate values of h/a, an approximate analysis that combines these two limiting cases captures the main features of computational results when the Debye length κ–1 is small compared with the pore radius a. However, the approximate analysis fails when κ–1 ≫ a, when the charge cloud due to the charged cylindrical walls of the pore spills out of the ends of the pore, and the electroosmotic flow is reduced. When this spilling out is included in the analysis, agreement with computation is restored. PMID:25020257

The Application of Fractal and Multifractal Theory in Hydraulic-Flow-Unit Characterization and Permeability Estimation

NASA Astrophysics Data System (ADS)

Chen, X.; Yao, G.; Cai, J.

2017-12-01

Pore structure characteristics are important factors in influencing the fluid transport behavior of porous media, such as pore-throat ratio, pore connectivity and size distribution, moreover, wettability. To accurately characterize the diversity of pore structure among HFUs, five samples selected from different HFUs (porosities are approximately equal, however permeability varies widely) were chosen to conduct micro-computerized tomography test to acquire direct 3D images of pore geometries and to perform mercury injection experiments to obtain the pore volume-radii distribution. To characterize complex and high nonlinear pore structure of all samples, three classic fractal geometry models were applied. Results showed that each HFU has similar box-counting fractal dimension and generalized fractal dimension in the number-area model, but there are significant differences in multifractal spectrums. In the radius-volume model, there are three obvious linear segments, corresponding to three fractal dimension values, and the middle one is proved as the actual fractal dimension according to the maximum radius. In the number-radius model, the spherical-pore size distribution extracted by maximum ball algorithm exist a decrease in the number of small pores compared with the fractal power rate rather than the traditional linear law. Among the three models, only multifractal analysis can classify the HFUs accurately. Additionally, due to the tightness and low-permeability in reservoir rocks, connate water film existing in the inner surface of pore channels commonly forms bound water. The conventional model which is known as Yu-Cheng's model has been proved to be typically not applicable. Considering the effect of irreducible water saturation, an improved fractal permeability model was also deduced theoretically. The comparison results showed that the improved model can be applied to calculate permeability directly and accurately in such unconventional rocks.

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.

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

Aqueous Viscosity Is the Primary Source of Friction in Lipidic Pore Dynamics

PubMed Central

Ryham, Rolf; Berezovik, Irina; Cohen, Fredric S.

2011-01-01

A new theory, to our knowledge, is developed that describes the dynamics of a lipidic pore in a liposome. The equations of the theory capture the experimentally observed three-stage functional form of pore radius over time—stage 1, rapid pore enlargement; stage 2, slow pore shrinkage; and stage 3, rapid pore closure. They also show that lipid flow is kinetically limited by the values of both membrane and aqueous viscosity; therefore, pore evolution is affected by both viscosities. The theory predicts that for a giant liposome, tens of microns in radius, water viscosity dominates over the effects of membrane viscosity. The edge tension of a lipidic pore is calculated by using the theory to quantitatively account for pore kinetics in stage 3, rapid pore closing. This value of edge tension agrees with the value as standardly calculated from the stage of slow pore closure, stage 2. For small, submicron liposomes, membrane viscosity affects pore kinetics, but only if the viscosity of the aqueous solution is comparable to that of distilled water. A first-principle fluid-mechanics calculation of the friction due to aqueous viscosity is in excellent agreement with the friction obtained by applying the new theory to data of previously published experimental results. PMID:22208191

Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study.

PubMed

Tian, Huiquan; Guo, Guang-Jun; Geng, Ming; Zhang, Zhengcai; Zhang, Mingmin; Gao, Kai

2018-05-28

We calculated methane transport through cylindrical graphite nanopores in cyclical steady-state flows using non-equilibrium molecular dynamics simulations. First, two typical gas reservoir configurations were evaluated: open (OS) and closed (CS) systems in which pores connect to the gas reservoir without/with a graphite wall parallel to the gas flow. We found that the OS configuration, which is commonly used to study nanoflows, exhibited obvious size effects. Smaller gas reservoir cross-sectional areas were associated with faster gas flows. Because Knudsen diffusion and slip flow in pores are interrupted in a gas reservoir that does not have walls as constraints, OSs cannot be relied upon in cyclical nanoflow simulations. Although CSs eliminated size effects, they introduced surface roughness effects that stem from the junction surface between the gas reservoir and the pore. To obtain a convergent nanoflow, the length of a side of the gas reservoir cross-section should be at least 2 nm larger than the pore diameter. Second, we obtained methane flux data for various pore radii (0.5-2.5 nm) in CSs and found that they could be described accurately using the Javadpour formula. This is the first direct molecular simulation evidence to validate this formula. Finally, the radial density and flow-velocity distributions of methane in CS pores were analyzed in detail. We tested pores with a radius between 0.5 nm and 2.5 nm and determined that the maximum ratio (∼34%) of slip flow to overall flow occurred in the pore with a radius of 1.25 nm. This study will aid in the design of gas reservoir configurations for nanoflow simulations and is helpful in understanding shale gas nanoflows.

Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Tian, Huiquan; Guo, Guang-Jun; Geng, Ming; Zhang, Zhengcai; Zhang, Mingmin; Gao, Kai

2018-05-01

We calculated methane transport through cylindrical graphite nanopores in cyclical steady-state flows using non-equilibrium molecular dynamics simulations. First, two typical gas reservoir configurations were evaluated: open (OS) and closed (CS) systems in which pores connect to the gas reservoir without/with a graphite wall parallel to the gas flow. We found that the OS configuration, which is commonly used to study nanoflows, exhibited obvious size effects. Smaller gas reservoir cross-sectional areas were associated with faster gas flows. Because Knudsen diffusion and slip flow in pores are interrupted in a gas reservoir that does not have walls as constraints, OSs cannot be relied upon in cyclical nanoflow simulations. Although CSs eliminated size effects, they introduced surface roughness effects that stem from the junction surface between the gas reservoir and the pore. To obtain a convergent nanoflow, the length of a side of the gas reservoir cross-section should be at least 2 nm larger than the pore diameter. Second, we obtained methane flux data for various pore radii (0.5-2.5 nm) in CSs and found that they could be described accurately using the Javadpour formula. This is the first direct molecular simulation evidence to validate this formula. Finally, the radial density and flow-velocity distributions of methane in CS pores were analyzed in detail. We tested pores with a radius between 0.5 nm and 2.5 nm and determined that the maximum ratio (˜34%) of slip flow to overall flow occurred in the pore with a radius of 1.25 nm. This study will aid in the design of gas reservoir configurations for nanoflow simulations and is helpful in understanding shale gas nanoflows.

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.

a Fractal Permeability Model Coupling Boundary-Layer Effect for Tight Oil Reservoirs

NASA Astrophysics Data System (ADS)

Wang, Fuyong; Liu, Zhichao; Jiao, Liang; Wang, Congle; Guo, Hu

A fractal permeability model coupling non-flowing boundary-layer effect for tight oil reservoirs was proposed. Firstly, pore structures of tight formations were characterized with fractal theory. Then, with the empirical equation of boundary-layer thickness, Hagen-Poiseuille equation and fractal theory, a fractal torturous capillary tube model coupled with boundary-layer effect was developed, and verified with experimental data. Finally, the parameters influencing effective liquid permeability were quantitatively investigated. The research results show that effective liquid permeability of tight formations is not only decided by pore structures, but also affected by boundary-layer distributions, and effective liquid permeability is the function of fluid type, fluid viscosity, pressure gradient, fractal dimension, tortuosity fractal dimension, minimum pore radius and maximum pore radius. For the tight formations dominated with nanoscale pores, boundary-layer effect can significantly reduce effective liquid permeability, especially under low pressure gradient.

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

Effect of screening on the transport of polyelectrolytes through nanopores

NASA Astrophysics Data System (ADS)

Oukhaled, G.; Bacri, L.; Mathé, J.; Pelta, J.; Auvray, L.

2008-05-01

We study the transport of dextran sulfate molecules (Mw=8000 Da) through a bacterial α-hemolysin channel inserted into a bilayer lipid membrane submitted to an external electric field. We detect the current blockades induced by the molecules threading through one pore and vary the ionic strength in an unexplored range starting at 10-3 M. In the conditions of the experiment, the polyelectrolyte molecules enter the pore only if the Debye screening length is smaller than the pore radius in agreement with theory. We also observe that large potentials favour the passage of the molecules. The distribution of blockade durations suggests that a complex process governs the kinetics of the molecules. The dwelling time increases sharply as the Debye length increases and approaches the pore radius.

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.

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

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.

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.

A Collaborative US/UK Research Program in Advanced Silica Macromolecular Micro-Optics

DTIC Science & Technology

1990-04-30

is present at the drying temperatures used here then it must be taken into account in determining the true hydraulic radius of the pores. This bound...drying, especially when one includes the effects of a bound water layer on effective evaporation area and the hydraulic radius of the pores. This...f1 ____ 1 , rJm2 ___ __ ____ _______ ______ 1 ,’ ___ ___ _: _ _ _ _’ / I N I _ _ _ I ____.1 0Ŗ 03 L] 05 Figure 2a disft~rre cross frack /m I I E 600

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).

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.

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

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.

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.

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.

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

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

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.

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.

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.

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.

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.

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.

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

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.

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.

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.

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.

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.

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

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...

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.

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.

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.

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

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.

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

Position-Dependent Dynamics Explain Pore-Averaged Diffusion in Strongly Attractive Adsorptive Systems.

PubMed

Krekelberg, William P; Siderius, Daniel W; Shen, Vincent K; Truskett, Thomas M; Errington, Jeffrey R

2017-12-12

Using molecular simulations, we investigate the relationship between the pore-averaged and position-dependent self-diffusivity of a fluid adsorbed in a strongly attractive pore as a function of loading. Previous work (Krekelberg, W. P.; Siderius, D. W.; Shen, V. K.; Truskett, T. M.; Errington, J. R. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores. Langmuir 2013, 29, 14527-14535, doi: 10.1021/la4037327) established that pore-averaged self-diffusivity in the multilayer adsorption regime, where the fluid exhibits a dense film at the pore surface and a lower density interior pore region, is nearly constant as a function of loading. Here we show that this puzzling behavior can be understood in terms of how loading affects the fraction of particles that reside in the film and interior pore regions as well as their distinct dynamics. Specifically, the insensitivity of pore-averaged diffusivity to loading arises from the approximate cancellation of two factors: an increase in the fraction of particles in the higher diffusivity interior pore region with loading and a corresponding decrease in the particle diffusivity in that region. We also find that the position-dependent self-diffusivities scale with the position-dependent density. We present a model for predicting the pore-average self-diffusivity based on the position-dependent self-diffusivity, which captures the unusual characteristics of pore-averaged self-diffusivity in strongly attractive pores over several orders of magnitude.

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.

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.

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.

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

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

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.

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.

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.

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.

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

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.

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.

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.

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.

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.

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.

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

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

[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.

Rectified brownian transport in corrugated channels: Fractional brownian motion and Lévy flights.

PubMed

Ai, Bao-quan; Shao, Zhi-gang; Zhong, Wei-rong

2012-11-07

We study fractional brownian motion and Lévy flights in periodic corrugated channels without any external driving forces. From numerical simulations, we find that both fractional gaussian noise and Lévy-stable noise in asymmetric corrugated channels can break thermodynamical equilibrium and induce directed transport. The rectified mechanisms for fractional brownian motion and Lévy flights are different. The former is caused by non-uniform spectral distribution (low or high frequencies) of fractional gaussian noise, while the latter is due to the nonthermal character (occasional long jumps) of the Lévy-stable noise. For fractional brownian motion, average velocity increases with the Hurst exponent for the persistent case, while for the antipersistent case there exists an optimal value of Hurst exponent at which average velocity takes its maximal value. For Lévy flights, the group velocity decreases monotonically as the Lévy index increases. In addition, for both cases, the optimized periodicity and radius at the bottleneck can facilitate the directed transport. Our results could be implemented in constrained structures with narrow channels and pores where the particles undergo anomalous diffusion.

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.

Modeling for stress-strain curve of a porous NiTi under compressive loading

NASA Astrophysics Data System (ADS)

Zhao, Ying; Taya, Minoru

2005-05-01

Two models for predicting the stress-strain curve of porous NiTi under compressive loading are presented in this paper. Porous NiTi shape memory alloy is investigated as a composite composed of solid NiTi as matrix and pores as inclusions. Eshelby"s equivalent inclusion method and Mori-Tanaka"s mean-field theory are employed in both models. In the first model, the geometry of the pores is assumed as sphere. The composite is with close-cells. While in the second model, two geometries of the pores, sphere and ellipsoid, are investigated. The pores are interconnected to each other forming an open-cell microstructure. The two adjacent pores connected along equator ring are investigated as a unit. Two pores interact with each other as they are connected. The average eigenstrain of each unit is obtained by taking the average of each pore"s eigenstrain. The stress-strain curves of porous shape memory alloy with spherical pores and ellipsoidal pores are compared, it is found that the shape of the pores has a nonignorable influence on the mechanical property of the porous NiTi. Comparison of the stress-strain curves of the two models shows that introducing of the average eigenstrains in the second model makes the predictions more agreeable to the experimental results.

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.

[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.

Application of method of volume averaging coupled with time resolved PIV to determine transport characteristics of turbulent flows in porous bed

NASA Astrophysics Data System (ADS)

Patil, Vishal; Liburdy, James

2012-11-01

Turbulent porous media flows are encountered in catalytic bed reactors and heat exchangers. Dispersion and mixing properties of these flows play an essential role in efficiency and performance. In an effort to understand these flows, pore scale time resolved PIV measurements in a refractive index matched porous bed were made. Pore Reynolds numbers, based on hydraulic diameter and pore average velocity, were varied from 400-4000. Jet-like flows and recirculation regions associated with large scale structures were found to exist. Coherent vortical structures which convect at approximately 0.8 times the pore average velocity were identified. These different flow regions exhibited different turbulent characteristics and hence contributed unequally to global transport properties of the bed. The heterogeneity present within a pore and also from pore to pore can be accounted for in estimating transport properties using the method of volume averaging. Eddy viscosity maps and mean velocity field maps, both obtained from PIV measurements, along with the method of volume averaging were used to predict the dispersion tensor versus Reynolds number. Asymptotic values of dispersion compare well to existing correlations. The role of molecular diffusion was explored by varying the Schmidt number and molecular diffusion was found to play an important role in tracer transport, especially in recirculation regions. Funding by NSF grant 0933857, Particulate and Multiphase Processing.

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.

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

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.

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.

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.

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.

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

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.

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.

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.

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.

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.

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.

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.

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.

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

Synchrotron microtomographic quantification of geometrical soil pore characteristics affected by compaction

NASA Astrophysics Data System (ADS)

Udawatta, Ranjith P.; Gantzer, Clark J.; Anderson, Stephen H.; Assouline, Shmuel

2016-05-01

Soil compaction degrades soil structure and affects water, heat, and gas exchange as well as root penetration and crop production. The objective of this study was to use X-ray computed microtomography (CMT) techniques to compare differences in geometrical soil pore parameters as influenced by compaction of two different aggregate size classes. Sieved (diameter < 2 mm and < 0.5 mm) and repacked (1.51 and 1.72 Mg m-3) Hamra soil cores of 5 by 5 mm (average porosities were 0.44 and 0.35) were imaged at 9.6 μm resolution at the Argonne Advanced Photon Source (synchrotron facility) using X-ray CMT. Images of 58.9 mm3 volume were analyzed using 3-Dimensional Medial Axis (3-DMA) software. Geometrical characteristics of the spatial distributions of pore structures (pore radii, volume, connectivity, path length, and tortuosity) were numerically investigated. Results show that the coordination number (CN) distribution and path length (PL) measured from the medial axis were reasonably fit by exponential relationships P(CN) = 10-CN/Co and P(PL) = 10-PL/PLo, respectively, where Co and PLo are the corresponding characteristic constants. Compaction reduced porosity, average pore size, number of pores, and characteristic constants. The average pore radii (63.7 and 61 µm; p < 0.04), largest pore volume (1.58 and 0.58 mm3; p = 0.06), number of pores (55 and 50; p = 0.09), and characteristic coordination number (3.74 and 3.94; p = 0.02) were significantly different between the low-density than the high-density treatment. Aggregate size also influenced measured geometrical pore parameters. This analytical technique provides a tool for assessing changes in soil pores that affect hydraulic properties and thereby provides information to assist in assessment of soil management systems.

Structural characterization of porous low-k thin films prepared by different techniques using x-ray porosimetry

NASA Astrophysics Data System (ADS)

Lee, Hae-Jeong; Soles, Christopher L.; Liu, Da-Wei; Bauer, Barry J.; Lin, Eric K.; Wu, Wen-li; Grill, Alfred

2004-03-01

Three different types of porous low-k dielectric films, with similar dielectric constants, are characterized using x-ray porosimetry (XRP). XRP is used to extract critical structural information, such as the average density, wall density, porosity, and pore size distribution. The materials include a plasma-enhanced-chemical-vapor-deposited carbon-doped oxide film composed of Si, C, O, and H (SiCOH) and two spin cast silsesquioxane type films—methylsilsesquioxane with a polymeric porogen (porous MSQ) and hydrogensilsesquioxane with a high boiling point solvent (porous HSQ). The porous SiCOH film displays the smallest pore sizes, while porous HSQ film has both the highest density wall material and porosity. The porous MSQ film exhibits a broad range of pores with the largest average pore size. We demonstrate that the average pore size obtained by the well-established method of neutron scattering and x-ray reflectivity is in good agreement with the XRP results.

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.

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

Generation of random microstructures and prediction of sound velocity and absorption for open foams with spherical pores.

PubMed

Zieliński, Tomasz G

2015-04-01

This paper proposes and discusses an approach for the design and quality inspection of the morphology dedicated for sound absorbing foams, using a relatively simple technique for a random generation of periodic microstructures representative for open-cell foams with spherical pores. The design is controlled by a few parameters, namely, the total open porosity and the average pore size, as well as the standard deviation of pore size. These design parameters are set up exactly and independently, however, the setting of the standard deviation of pore sizes requires some number of pores in the representative volume element (RVE); this number is a procedure parameter. Another pore structure parameter which may be indirectly affected is the average size of windows linking the pores, however, it is in fact weakly controlled by the maximal pore-penetration factor, and moreover, it depends on the porosity and pore size. The proposed methodology for testing microstructure-designs of sound absorbing porous media applies the multi-scale modeling where some important transport parameters-responsible for sound propagation in a porous medium-are calculated from microstructure using the generated RVE, in order to estimate the sound velocity and absorption of such a designed material.

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.

Synthesis and Characterization of Chitosan-p-t-Butylcalix[4]arene acid

NASA Astrophysics Data System (ADS)

Handayani, D. S.; Frimadasi, W.; Kusumaningsih, T.; Pranoto

2018-03-01

The synthesis of chitosan-p-t-butylcalix[4]arene acid was done with DIC (N, N’-diisopropylcarbodiimide) as the coupling agent. The structural analysis of the chitosan-p-t-butylcalix[4]arene acid was conducted by spectrophotometer Fourier Transform Infra Red (FTIR) and X-Ray Diffraction (XRD). Meanwhile, the surface area was investigated by Surface Area Analysis, the Scanning Electrone Microscope (SEM) analysed the surface morphology, and also the melting point temperature was determined. FTIR analysis on Chitosan-p-t-butylcalix[4]arene provides an overlapped absorption of -OH and -NH groups at 3438.26 cm-1. Meanwhile, a C = C aromatic bond present at 1480.43 cm-1. XRD analysis shows some broaden peaks due to the amorphous phase of the prepared material. The prepared material is a brownish yellow solid, odorless and porous. The melting point, surface area, and the average pore radius are above 300 °C, 9.42 m2 / g, and 52.5938 Å, respectively.

Machine learning framework for analysis of transport through complex networks in porous, granular media: A focus on permeability

NASA Astrophysics Data System (ADS)

van der Linden, Joost H.; Narsilio, Guillermo A.; Tordesillas, Antoinette

2016-08-01

We present a data-driven framework to study the relationship between fluid flow at the macroscale and the internal pore structure, across the micro- and mesoscales, in porous, granular media. Sphere packings with varying particle size distribution and confining pressure are generated using the discrete element method. For each sample, a finite element analysis of the fluid flow is performed to compute the permeability. We construct a pore network and a particle contact network to quantify the connectivity of the pores and particles across the mesoscopic spatial scales. Machine learning techniques for feature selection are employed to identify sets of microstructural properties and multiscale complex network features that optimally characterize permeability. We find a linear correlation (in log-log scale) between permeability and the average closeness centrality of the weighted pore network. With the pore network links weighted by the local conductance, the average closeness centrality represents a multiscale measure of efficiency of flow through the pore network in terms of the mean geodesic distance (or shortest path) between all pore bodies in the pore network. Specifically, this study objectively quantifies a hypothesized link between high permeability and efficient shortest paths that thread through relatively large pore bodies connected to each other by high conductance pore throats, embodying connectivity and pore structure.

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.

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

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.

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.

Spread of the dust temperature distribution in circumstellar disks

NASA Astrophysics Data System (ADS)

Heese, S.; Wolf, S.; Dutrey, A.; Guilloteau, S.

2017-07-01

Context. Accurate temperature calculations for circumstellar disks are particularly important for their chemical evolution. Their temperature distribution is determined by the optical properties of the dust grains, which, among other parameters, depend on their radius. However, in most disk studies, only average optical properties and thus an average temperature is assumed to account for an ensemble of grains with different radii. Aims: We investigate the impact of subdividing the grain radius distribution into multiple sub-intervals on the resulting dust temperature distribution and spectral energy distribution (SED). Methods: The temperature distribution, the relative grain surface below a certain temperature, the freeze-out radius, and the SED were computed for two different scenarios: (1) Radius distribution represented by 16 logarithmically distributed radius intervals, and (2) radius distribution represented by a single grain species with averaged optical properties (reference). Results: Within the considered parameter range, I.e., of grain radii between 5 nm and 1 mm and an optically thin and thick disk with a parameterized density distribution, we obtain the following results: in optically thin disk regions, the temperature spread can be as large as 63% and the relative grain surface below a certain temperature is lower than in the reference disk. With increasing optical depth, the difference in the midplane temperature and the relative grain surface below a certain temperature decreases. Furthermore, below 20 K, this fraction is higher for the reference disk than for the case of multiple grain radii, while it shows the opposite behavior for temperatures above this threshold. The thermal emission in the case of multiple grain radii at short wavelengths is stronger than for the reference disk. The freeze-out radius (snowline) is a function of grain radius, spanning a radial range between the coldest and warmest grain species of 30 AU.

Investigating the effect of sputtering conditions on the physical properties of aluminum thin film and the resulting alumina template

NASA Astrophysics Data System (ADS)

Taheriniya, Shabnam; Parhizgar, Sara Sadat; Sari, Amir Hossein

2018-06-01

To study the alumina template pore size distribution as a function of Al thin film grain size distribution, porous alumina templates were prepared by anodizing sputtered aluminum thin films. To control the grain size the aluminum samples were sputtered with the rate of 0.5, 1 and 2 Å/s and the substrate temperature was either 25, 75 or 125 °C. All samples were anodized for 120 s in 1 M sulfuric acid solution kept at 1 °C while a 15 V potential was being applied. The standard deviation value for samples deposited at room temperature but with different rates is roughly 2 nm in both thin film and porous template form but it rises to approximately 4 nm with substrate temperature. Samples with the average grain size of 13, 14, 18.5 and 21 nm respectively produce alumina templates with an average pore size of 8.5, 10, 15 and 16 nm in that order which shows the average grain size limits the average pore diameter in the resulting template. Lateral correlation length and grain boundary effect are other factors that affect the pore formation process and pore size distribution by limiting the initial current density.

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

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.

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.

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

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.

Synchrotron Microtomographic Quantification of Geometrical Soil Pore Characteristics Affected by Compaction

NASA Astrophysics Data System (ADS)

Udawatta, Ranjith; Gantzer, Clark; Anderson, Stephen; Assouline, Shmuel

2015-04-01

Soil compaction degrades soil structure and affects water, heat, and gas exchange as well as root penetration and crop production. The objective of this study was to use X-ray computed microtomography (CMT) techniques to compare differences in geometrical soil pore parameters as influenced by compaction of two different aggregate size classes. Sieved (diam. < 2mm and < 0.5mm) and repacked (1.51 and 1.72 Mg m-3) Hamra soil cores of 5- by 5-mm (average porosities were 0.44 and 0.35) were imaged at 9.6-micrometer resolution at the Argonne Advanced Photon Source (synchrotron facility) using X-ray computed microtomography. Images of 58.9 mm3 volume were analyzed using 3-Dimensional Medial Axis (3DMA) software. Geometrical characteristics of the spatial distributions of pore structures (pore radii, volume, connectivity, path length, and tortuosity) were numerically investigated. Results show that the coordination number (CN) distribution and path length (PL) measured from the medial axis were reasonably fit by exponential relationships P(CN)=10-CN/Co and P(PL)=10-PL/PLo, respectively, where Co and PLo are the corresponding characteristic constants. Compaction reduced porosity, average pore size, number of pores, and characteristic constants. The average pore radii (64 and 61 μm; p<0.04), largest pore volume (1.6 and 0.6 mm3; p=0.06), number of pores (55 and 50; p=0.09), characteristic coordination number (6.3 and 6.0; p=0.09), and characteristic path length number (116 and 105; p=0.001) were significantly greater in the low density than the high density treatment. Aggregate size also influenced measured geometrical pore parameters. This analytical technique provides a tool for assessing changes in soil pores that affect hydraulic properties and thereby provides information to assist in assessment of soil management systems.

Synchrotron microtomographic quantification of geometrical soil pore characteristics affected by compaction

NASA Astrophysics Data System (ADS)

Udawatta, R. P.; Gantzer, C. J.; Anderson, S. H.; Assouline, S.

2015-07-01

Soil compaction degrades soil structure and affects water, heat, and gas exchange as well as root penetration and crop production. The objective of this study was to use X-ray computed microtomography (CMT) techniques to compare differences in geometrical soil pore parameters as influenced by compaction of two different aggregate size classes. Sieved (diam. < 2 mm and < 0.5 mm) and repacked (1.51 and 1.72 Mg m-3) Hamra soil cores of 5- by 5 mm (average porosities were 0.44 and 0.35) were imaged at 9.6-micrometer resolution at the Argonne Advanced Photon Source (synchrotron facility) using X-ray computed microtomography. Images of 58.9 mm3 volume were analyzed using 3-Dimensional Medial Axis (3DMA) software. Geometrical characteristics of the spatial distributions of pore structures (pore radii, volume, connectivity, path length, and tortuosity) were numerically investigated. Results show that the coordination number (CN) distribution and path length (PL) measured from the medial axis were reasonably fit by exponential relationships P(CN) = 10-CN/Co and P(PL) = 10-PL/PLo, respectively, where Co and PLo are the corresponding characteristic constants. Compaction reduced porosity, average pore size, number of pores, and characteristic constants. The average pore radii (63.7 and 61 μm; p < 0.04), largest pore volume (1.58 and 0.58 mm3; p = 0.06), number of pores (55 and 50; p = 0.09), characteristic coordination number (6.32 and 5.94; p = 0.09), and characteristic path length number (116 and 105; p = 0.001) were significantly greater in the low density than the high density treatment. Aggregate size also influenced measured geometrical pore parameters. This analytical technique provides a tool for assessing changes in soil pores that affect hydraulic properties and thereby provides information to assist in assessment of soil management systems.

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.

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite.

PubMed

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints.

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite

PubMed Central

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints. PMID:28772382

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.

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%.

Short communication: Serum composition of milk subjected to re-equilibration by dialysis at different temperatures, after pH adjustments.

PubMed

Zhao, Zhengtao; Corredig, Milena

2016-04-01

The objective of this work was to investigate the properties of casein micelles after pH adjustment and their re-equilibration to the original pH and serum composition. Re-equilibration was carried out by dialyzing against skim milk at 2 different temperatures (4 or 22 °C). Turbidity, the average radius of the casein micelles, and the composition of the soluble phase were measured at different pH values, ranging between 5.5 and 8. Acidification led to the solubilization of colloidal calcium phosphate and decrease of the average radius of the micelles. With re-equilibration, casein dissociation occurred. In milk with pH values greater than 6.0, the average radius was recovered after re-equilibration. At pH values greater than neutral, an increase of the radius of casein micelles and increased dissociation of the casein were found. After re-equilibration, the radius of micelles and soluble protein in the serum decreased. The results were not affected by the temperature of re-equilibration. The changes to the calcium phosphate equilibrium and the dissociation of the micelles will have important consequences to the functionality of casein micelles. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

VISUALIZATION AND SIMULATION OF NON-AQUEOUS PHASE LIQUIDS SOLUBILIZATION IN PORE NETWORKS

EPA Science Inventory

The design of in-situ remediation of contaminated soils is mostly based on a description at the macroscopic scale using a averaged quantities. These cannot address issues at the pore and pore network scales. In this paper, visualization experiments and numerical simulations in ...

Elements of an improved model of debris-flow motion

USGS Publications Warehouse

Iverson, R.M.

2009-01-01

A new depth-averaged model of debris-flow motion describes simultaneous evolution of flow velocity and depth, solid and fluid volume fractions, and pore-fluid pressure. Non-hydrostatic pore-fluid pressure is produced by dilatancy, a state-dependent property that links the depth-averaged shear rate and volumetric strain rate of the granular phase. Pore-pressure changes caused by shearing allow the model to exhibit rate-dependent flow resistance, despite the fact that the basal shear traction involves only rate-independent Coulomb friction. An analytical solution of simplified model equations shows that the onset of downslope motion can be accelerated or retarded by pore-pressure change, contingent on whether dilatancy is positive or negative. A different analytical solution shows that such effects will likely be muted if downslope motion continues long enough, because dilatancy then evolves toward zero, and volume fractions and pore pressure concurrently evolve toward steady states. ?? 2009 American Institute of Physics.

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

KEPLER EXOPLANET CANDIDATE HOST STARS ARE PREFERENTIALLY METAL RICH

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

Schlaufman, Kevin C.; Laughlin, Gregory, E-mail: kcs@ucolick.org, E-mail: laughlin@ucolick.org

We find that Kepler exoplanet candidate (EC) host stars are preferentially metal rich, including the low-mass stellar hosts of small-radius ECs. The last observation confirms a tentative hint that there is a correlation between the metallicity of low-mass stars and the presence of low-mass and small-radius exoplanets. In particular, we compare the J-H-g-r color-color distribution of Kepler EC host stars with a control sample of dwarf stars selected from the {approx}150, 000 stars observed during Q1 and Q2 of the Kepler mission but with no detected planets. We find that at J - H = 0.30 characteristic of solar-type stars,more » the average g-r color of stars that host giant ECs is 4{sigma} redder than the average color of the stars in the control sample. At the same J - H color, the average g-r color of solar-type stars that host small-radius ECs is indistinguishable from the average color of the stars in the control sample. In addition, we find that at J - H = 0.62 indicative of late K dwarfs, the average g-r color of stars that host small-radius ECs is 4{sigma} redder than the average color of the stars in the control sample. These offsets are unlikely to be caused by differential reddening, age differences between the two populations, or the presence of giant stars in the control sample. Stellar models suggest that the first color offset is due to a 0.2 dex enhancement in [Fe/H] of the giant EC host population at M{sub *} {approx} 1 M{sub sun}, while Sloan photometry of M 67 and NGC 6791 suggests that the second color offset is due to a similar [Fe/H] enhancement of the small-radius EC host population at M{sub *} {approx} 0.7 M{sub sun}. These correlations are a natural consequence of the core-accretion model of planet formation.« less

An alternative NMR method to determine nuclear shielding anisotropies for molecules in liquid-crystalline solutions with (13)C shielding anisotropy of methyl iodide as an example.

PubMed

Tallavaara, Pekka; Jokisaari, Jukka

2008-03-28

An alternative NMR method for determining nuclear shielding anisotropies in molecules is proposed. The method is quite simple, linear and particularly applicable for heteronuclear spin systems. In the technique, molecules of interest are dissolved in a thermotropic liquid crystal (LC) which is confined in a mesoporous material, such as controlled pore glass (CPG) used in this study. CPG materials consist of roughly spherical particles with a randomly oriented and connected pore network inside. LC Merck Phase 4 was confined in the pores of average diameter from 81 to 375 A and LC Merck ZLI 1115 in the pores of average diameter 81 A. In order to demonstrate the functionality of the method, the (13)C shielding anisotropy of (13)C-enriched methyl iodide, (13)CH(3)I, was determined as a function of temperature using one dimensional (13)C NMR spectroscopy. Methane gas, (13)CH(4), was used as an internal chemical shift reference. It appeared that methyl iodide molecules experience on average an isotropic environment in LCs inside the smallest pores within the whole temperature range studied, ranging from bulk solid to isotropic phase. In contrast, in the spaces in between the particles, whose diameter is approximately 150 microm, LCs behave as in the bulk. Consequently, isotropic values of the shielding tensor can be determined from spectra arising from molecules inside the pores at exactly the same temperature as the anisotropic ones from molecules outside the pores. Thus, for the first time in the solution state, shielding anisotropies can easily be determined as a function of temperature. The effects of pore size as well as of different LC media on the shielding anisotropy are examined and discussed.

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.

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.

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.

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.

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.

Dissolution Front Instabilities in Reacting Porous Media

NASA Astrophysics Data System (ADS)

Raoof, Amir; Spiers, Chris; Hassanizadeh, Majid

2013-04-01

The main objective of this research is to gain a better understanding of the relation between regime of reaction and dissolution front instability, leading to formation of channels or wormholes. Potential applications are geological sequestration of CO2 and acid-gas injection during enhanced oil recovery. The microscopic pore space is modeled using a multi-directional pore network, allowing for a distribution of pore coordination number, together with distribution of pore sizes. In order to simulate transport of multi-component chemical species, mass balance equations are solved within each element of the network (i.e., pore body and pore throat). We have considered advective and diffusive transport processes within the pore spaces together with multi-component chemical reactions, including both equilibrium and kinetic reactions. Using dimensionless scaling groups (such as Damköhler number and Péclet-Damköhler number) we characterized the dissolution front behavior, and by averaging over the network domain we calculated the evolution of porosity and permeability as well as flux-averaged concentration breakthrough curves. We obtain constitutive relations linking porosity and permeability, under conditions relevant to geological storage of CO2. Effect of distribution of reactive minerals is also evaluated and regime of reaction is shown to play a key role.

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.

Structural characteristics of methylsilsesquioxane based porous low-k thin films fabricated with increasing cross-linked particle porogen loading

NASA Astrophysics Data System (ADS)

Lee, Hae-Jeong; Soles, Christopher L.; Liu, Da-Wei; Bauer, Barry J.; Lin, Eric K.; Wu, Wen-Li; Gallagher, Michael

2006-09-01

Methylsilsesquioxane (MSQ) based porous low-k dielectric films are characterized by x-ray porosimetry (XRP) to determine their pore size distribution, average density, wall density, and porosity. By varying the porogen content from 1% to 30% by mass, the porosity changes from 12% to 34% by volume, indicating that the base MSQ matrix material contains approximately 10% by volume inherent microporosity. The wall density of this matrix material is measured to be 1.33-1.35g/cm3, independent of porosity. The average pore radii determined from the XRP adsorption isotherms increase from 6to27Å with increased porogen loadings. Small angle neutron scattering measurements confirm these XRP average pore radii for the films with porogen loading higher than 10% by mass.

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,.

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

Characterization of nanoporous shales with gas sorption

NASA Astrophysics Data System (ADS)

Joewondo, N.; Prasad, M.

2017-12-01

The understanding of the fluid flow in porous media requires the knowledge of the pore system involved. Fluid flow in fine grained shales falls under different regime than transport regime in conventional reservoir due to the different average pore sizes in the two materials; the average pore diameter of conventional sandstones is on the micrometer scale, while of shales can be as small as several nanometers. Mercury intrusion porosimetry is normally used to characterize the pores of conventional reservoir, however with increasingly small pores, the injection pressure required to imbibe the pores becomes infinitely large due to surface tension. Characterization of pores can be expressed by a pore size distribution (PSD) plot, which reflects distribution of pore volume or surface area with respect to pore size. For the case of nanoporous materials, the surface area, which serves as the interface between the rock matrix and fluid, becomes increasingly large and important. Physisorption of gas has been extensively studied as a method of nanoporous solid characterization (particularly for the application of catalysis, metal organic frameworks, etc). The PSD is obtained by matching the experimental result to the calculated theoretical result (using Density Functional Theory (DFT), a quantum mechanics based modelling method for molecular scale interactions). We present the challenges and experimental result of Nitrogen and CO2 gas sorption on shales with various mineralogy and the interpreted PSD obtained by DFT method. Our result shows significant surface area contributed by the nanopores of shales, hence the importance of surface area measurements for the characterization of shales.

The Splashback Radius of Halos from Particle Dynamics. I. The SPARTA Algorithm

NASA Astrophysics Data System (ADS)

Diemer, Benedikt

2017-07-01

Motivated by the recent proposal of the splashback radius as a physical boundary of dark-matter halos, we present a parallel computer code for Subhalo and PARticle Trajectory Analysis (SPARTA). The code analyzes the orbits of all simulation particles in all host halos, billions of orbits in the case of typical cosmological N-body simulations. Within this general framework, we develop an algorithm that accurately extracts the location of the first apocenter of particles after infall into a halo, or splashback. We define the splashback radius of a halo as the smoothed average of the apocenter radii of individual particles. This definition allows us to reliably measure the splashback radii of 95% of host halos above a resolution limit of 1000 particles. We show that, on average, the splashback radius and mass are converged to better than 5% accuracy with respect to mass resolution, snapshot spacing, and all free parameters of the method.

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

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

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

Structural characterization of mesoporous magnetite nanoparticles synthesized using the leaf extract of Calliandra haematocephala and their photocatalytic degradation of malachite green dye

NASA Astrophysics Data System (ADS)

Sirdeshpande, Karthikey Devadatta; Sridhar, Anushka; Cholkar, Kedar Mohan; Selvaraj, Raja

2018-03-01

A simple method for the synthesis of magnetite nanoparticles using the leaf extract of Calliandra haematocephala has been developed. UV-Vis spectrum showed a characteristic strong absorption band. SEM image revealed the bead-like spherical nanoparticles. EDS showed the prominent peaks for elemental iron and oxygen. PXRD patterns confirmed the crystalline nature and the average crystallite size of 7.45 nm. In addition, the lattice parameter value was calculated to be 8.413 Å, close to Fe3O4 nanoparticles. BET analysis disclosed the total specific surface area of the nanoparticles as 63.89 m2/g and the mesoporous structure of the nanoparticles with a pore radius of 34.18 Å. FTIR studies showed the specific bands at 599.82 and 472.53 cm-1, typical for Fe3O4 nanoparticles. The photocatalytic efficacy of the nanoparticles was demonstrated against the degradation of malachite green dye under sunlight irradiation and the photocatalytic degradation constant was calculated as 0.0621 min-1.

Fluctuating bottleneck model studies on kinetics of DNA escape from α-hemolysin nanopores

NASA Astrophysics Data System (ADS)

Bian, Yukun; Wang, Zilin; Chen, Anpu; Zhao, Nanrong

2015-11-01

We have proposed a fluctuation bottleneck (FB) model to investigate the non-exponential kinetics of DNA escape from nanometer-scale pores. The basic idea is that the escape rate is proportional to the fluctuating cross-sectional area of DNA escape channel, the radius r of which undergoes a subdiffusion dynamics subjected to fractional Gaussian noise with power-law memory kernel. Such a FB model facilitates us to obtain the analytical result of the averaged survival probability as a function of time, which can be directly compared to experimental results. Particularly, we have applied our theory to address the escape kinetics of DNA through α-hemolysin nanopores. We find that our theoretical framework can reproduce the experimental results very well in the whole time range with quite reasonable estimation for the intrinsic parameters of the kinetics processes. We believe that FB model has caught some key features regarding the long time kinetics of DNA escape through a nanopore and it might provide a sound starting point to study much wider problems involving anomalous dynamics in confined fluctuating channels.

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.

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.

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.

Energy conversion device with support member having pore channels

DOEpatents

Routkevitch, Dmitri [Longmont, CO; Wind, Rikard A [Johnstown, CO

2014-01-07

Energy devices such as energy conversion devices and energy storage devices and methods for the manufacture of such devices. The devices include a support member having an array of pore channels having a small average pore channel diameter and having a pore channel length. Material layers that may include energy conversion materials and conductive materials are coaxially disposed within the pore channels to form material rods having a relatively small cross-section and a relatively long length. By varying the structure of the materials in the pore channels, various energy devices can be fabricated, such as photovoltaic (PV) devices, radiation detectors, capacitors, batteries and the like.

Comparison of Pore Fractal Characteristics Between Marine and Continental Shales

NASA Astrophysics Data System (ADS)

Liu, Jun; Yao, Yanbin; Liu, Dameng; Cai, Yidong; Cai, Jianchao

Fractal characterization offers a quantitative evaluation on the heterogeneity of pore structure which greatly affects gas adsorption and transportation in shales. To compare the fractal characteristics between marine and continental shales, nine samples from the Lower Silurian Longmaxi formation in the Sichuan basin and nine from the Middle Jurassic Dameigou formation in the Qaidam basin were collected. Reservoir properties and fractal dimensions were characterized for all the collected samples. In this study, fractal dimensions were originated from the Frenkel-Halsey-Hill (FHH) model with N2 adsorption data. Compared to continental shale, marine shale has greater values of quartz content, porosity, specific surface area and total pore volume but lower level of clay minerals content, permeability, average pore diameter and methane adsorption capacity. The quartz in marine shale is mostly associated with biogenic origin, while that in continental shale is mainly due to terrigenous debris. The N2 adsorption-desorption isotherms exhibit that marine shale has fewer inkbottle-shaped pores but more plate-like and slit-shaped pores than continental shale. Two fractal dimensions (D1 and D2) were obtained at P/Po of 0-0.5 and 0.5-1. The dimension D2 is commonly greater than D1, suggesting that larger pores (diameter >˜ 4nm) have more complex structures than small pores (diameter <˜ 4nm). The fractal dimensions (both D1 and D2) positively correlate to clay minerals content, specific surface area and methane adsorption capacity, but have negative relationships with porosity, permeability and average pore diameter. The fractal dimensions increase proportionally with the increasing quartz content in marine shale but have no obvious correlation with that in continental shale. The dimension D1 is correlative to the TOC content and permeability of marine shale at a similar degree with dimension D2, while the dimension D1 is more sensitive to those of continental shale than dimension D2. Compared with dimension D2, for two shales, dimension D1 is better associated with the content of clay minerals but has worse correlations with the specific surface area and average pore diameter.

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.

A new methodology for determination of macroscopic transport parameters in drying porous media

NASA Astrophysics Data System (ADS)

Attari Moghaddam, A.; Kharaghani, A.; Tsotsas, E.; Prat, M.

2015-12-01

Two main approaches have been used to model the drying process: The first approach considers the partially saturated porous medium as a continuum and partial differential equations are used to describe the mass, momentum and energy balances of the fluid phases. The continuum-scale models (CM) obtained by this approach involve constitutive laws which require effective material properties, such as the diffusivity, permeability, and thermal conductivity which are often determined by experiments. The second approach considers the material at the pore scale, where the void space is represented by a network of pores (PN). Micro- or nanofluidics models used in each pore give rise to a large system of ordinary differential equations with degrees of freedom at each node of the pore network. In this work, the moisture transport coefficient (D), the pseudo desorption isotherm inside the network and at the evaporative surface are estimated from the post-processing of the three-dimensional pore network drying simulations for fifteen realizations of the pore space geometry from a given probability distribution. A slice sampling method is used in order to extract these parameters from PN simulations. The moisture transport coefficient obtained in this way is shown in Fig. 1a. The minimum of average D values demonstrates the transition between liquid dominated moisture transport region and vapor dominated moisture transport region; a similar behavior has been observed in previous experimental findings. A function is fitted to the average D values and then is fed into the non-linear moisture diffusion equation. The saturation profiles obtained from PN and CM simulations are shown in Fig. 1b. Figure 1: (a) extracted moisture transport coefficient during drying for fifteen realizations of the pore network, (b) average moisture profiles during drying obtained from PN and CM simulations.

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.

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

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

Developing and Testing a Robust, Multi-Scale Framework for the Recovery of Longleaf Pine Understory Communities

DTIC Science & Technology

2015-05-01

Model averaging for species richness on post-agricultural sites (1000 m2) with a landscape radius of 150 m. Table 3.4.8. Model selection for species ... richness on post-agricultural sites (1000 m2) with a landscape radius of 150 m. Table 3.4.9. Model averaging for proportion of reference species on...Direct, indirect, and total standardized effects on species richness . Table 4.1.1. Species and number of seeds added to the experimental plots at

Biomechanics of the Proximal Radius Following Drilling of the Bicipital Tuberosity to Mimic Cortical Button Distal Biceps Repair Technique.

PubMed

Oak, Nikhil R; Lien, John R; Brunfeldt, Alexander; Lawton, Jeffrey N

2018-05-01

A fracture through the proximal radius is a theoretical concern after cortical button distal biceps fixation in an active patient. The permanent, nonossified cortical defect and medullary tunnel is at risk during a fall eliciting rotational and compressive forces. We hypothesized that during simulated torsion and compression, in comparison with unaltered specimens, the cortical button distal biceps repair model would have decreased torsional and compressive strength and would fracture in the vicinity of the bicipital tuberosity bone tunnel. Sixteen fourth-generation composite radius Sawbones models were used in this controlled laboratory study. A bone tunnel was created through the bicipital tuberosity to mimic the exact bone tunnel, 8 mm near cortex and 3.2 mm far cortex, made for the BicepsButton distal biceps tendon repair. The radius was then prepared and mounted on either a torsional or compression testing device and compared with undrilled control specimens. Compression tests resulted in average failure loads of 9015.2 N in controls versus 8253.25 N in drilled specimens ( P = .074). Torsional testing resulted in an average failure torque of 27.3 Nm in controls and 19.3 Nm in drilled specimens ( P = .024). Average fracture angle was 35.1° in controls versus 21.1° in drilled. Gross fracture patterns were similar in compression testing; however, in torsional testing all fractures occurred through the bone tunnel in the drilled group. There are weaknesses in the vicinity of the bone tunnel in the proximal radius during biomechanical stress testing which may not be clinically relevant in nature. In cortical button fixation, distal biceps repairs creates a permanent, nonossified cortical defect with tendon interposed in the bone tunnel, which can alter the biomechanical properties of the proximal radius during compressive and torsional loading.

Distribution, diffusive fluxes, and toxicity of heavy metals and PAHs in pore water profiles from the northern bays of Taihu Lake.

PubMed

Lei, Pei; Zhang, Hong; Shan, Baoqing; Zhang, Bozheng

2016-11-01

Pore water plays a more significant role than do sediments in pollutant cycling dynamics. Also, concentrations of pollutants in pore water provide important information about their bioavailability or eco-toxicity; however, very few studies have focused on this topic. In this study, four duplicate sediment cores from three typical northern bays as well as the central part of Taihu Lake were collected to investigate the distribution, diffusive fluxes, and toxicity of heavy metals and polycyclic aromatic hydrocarbons (PAHs) in pore water profiles, which will be good in understanding the mobility and toxicity of these toxic pollutants and achieving better environmental management. The diffusive fluxes of heavy metals across the sediment-water interface was estimated through Fick's First Law, and the toxicity of heavy metals and PAHs in pore water was assessed by applying a water quality index (interstitial water toxicity criteria unit, IWCTU) and a hazard index (HI), respectively. The average concentrations of Cr, Cu, Ni, Pb, and Zn in surface pore water were 18.8, 23.4, 12.0, 13.5, and 42.5 μg L -1 , respectively. Also, concentrations of the selected heavy metals in both overlying water and pore water from Taihu Lake were all lower than the standard values of the environmental quality standards for surface water. The concentrations as the pore water depth increased, and the highest detected concentrations of heavy metals were recorded between 3 and 5 cm below the sediment surface. The average diffusive fluxes of these metals were 27.3, 24.8, 7.03, 7.81, and -3.32 μg (m 2 day) -1 , respectively, indicating export from sediment into overlying water, with the exception of Zn. There was a potential risk of toxicity, mainly from Pb and Cu, indicating that heavy metals in pore water had slight to moderate impact on sediment-dwelling organisms by values of the IWCTU and the Nemeraw index. The total PAH concentrations in pore water were higher than those in overlying water, and such gradient implies a potential flux of PAHs from pore water to overlying water. The average HI value of PAHs in surface pore water showed no or low ecological risk. While there may be occasional risk due to the HI values in some sites being greater than 1, the dominant contributors were carcinogenic PAHs. Because of their potential biological impact, heavy metals and PAHs and their comprehensive toxic effects in pore water should be given priority attention to keep the safety of Taihu Lake.

A general diagram for estimating pore size of ultrafiltration and reverse osmosis membranes

NASA Technical Reports Server (NTRS)

Sarbolouki, M. N.

1982-01-01

A slit sieve model has been used to develop a general correlation between the average pore size of the upstream surface of a membrane and the molecular weight of the solute which it retains by better than 80%. The pore size is determined by means of the correlation using the high retention data from an ultrafiltration (UF) or a reverse osmosis (RO) experiment. The pore population density can also be calculated from the flux data via appropriate equations.

Supercritical CO2 foaming of thermoplastic materials derived from maize: proof-of-concept use in mammalian cell culture applications.

PubMed

Trujillo-de Santiago, Grissel; Portales-Cabrera, Cynthia Guadalupe; Portillo-Lara, Roberto; Araiz-Hernández, Diana; Del Barone, Maria Cristina; García-López, Erika; Rojas-de Gante, Cecilia; de Los Angeles De Santiago-Miramontes, María; Segoviano-Ramírez, Juan Carlos; García-Lara, Silverio; Rodríguez-González, Ciro Ángel; Alvarez, Mario Moisés; Di Maio, Ernesto; Iannace, Salvatore

2015-01-01

Foams are high porosity and low density materials. In nature, they are a common architecture. Some of their relevant technological applications include heat and sound insulation, lightweight materials, and tissue engineering scaffolds. Foams derived from natural polymers are particularly attractive for tissue culture due to their biodegradability and bio-compatibility. Here, the foaming potential of an extensive list of materials was assayed, including slabs elaborated from whole flour, the starch component only, or the protein fraction only of maize seeds. We used supercritical CO2 to produce foams from thermoplasticized maize derived materials. Polyethylene-glycol, sorbitol/glycerol, or urea/formamide were used as plasticizers. We report expansion ratios, porosities, average pore sizes, pore morphologies, and pore size distributions for these materials. High porosity foams were obtained from zein thermoplasticized with polyethylene glycol, and from starch thermoplasticized with urea/formamide. Zein foams had a higher porosity than starch foams (88% and 85%, respectively) and a narrower and more evenly distributed pore size. Starch foams exhibited a wider span of pore sizes and a larger average pore size than zein (208.84 vs. 55.43 μm2, respectively). Proof-of-concept cell culture experiments confirmed that mouse fibroblasts (NIH 3T3) and two different prostate cancer cell lines (22RV1, DU145) attached to and proliferated on zein foams. We conducted screening and proof-of-concept experiments on the fabrication of foams from cereal-based bioplastics. We propose that a key indicator of foamability is the strain at break of the materials to be foamed (as calculated from stress vs. strain rate curves). Zein foams exhibit attractive properties (average pore size, pore size distribution, and porosity) for cell culture applications; we were able to establish and sustain mammalian cell cultures on zein foams for extended time periods.

Supercritical CO2 Foaming of Thermoplastic Materials Derived from Maize: Proof-of-Concept Use in Mammalian Cell Culture Applications

PubMed Central

Trujillo-de Santiago, Grissel; Portales-Cabrera, Cynthia Guadalupe; Portillo-Lara, Roberto; Araiz-Hernández, Diana; Del Barone, Maria Cristina; García-López, Erika; Rojas-de Gante, Cecilia; de los Angeles De Santiago-Miramontes, María; Segoviano-Ramírez, Juan Carlos; García-Lara, Silverio; Rodríguez-González, Ciro Ángel; Alvarez, Mario Moisés; Di Maio, Ernesto; Iannace, Salvatore

2015-01-01

Background Foams are high porosity and low density materials. In nature, they are a common architecture. Some of their relevant technological applications include heat and sound insulation, lightweight materials, and tissue engineering scaffolds. Foams derived from natural polymers are particularly attractive for tissue culture due to their biodegradability and bio-compatibility. Here, the foaming potential of an extensive list of materials was assayed, including slabs elaborated from whole flour, the starch component only, or the protein fraction only of maize seeds. Methodology/Principal Findings We used supercritical CO2 to produce foams from thermoplasticized maize derived materials. Polyethylene-glycol, sorbitol/glycerol, or urea/formamide were used as plasticizers. We report expansion ratios, porosities, average pore sizes, pore morphologies, and pore size distributions for these materials. High porosity foams were obtained from zein thermoplasticized with polyethylene glycol, and from starch thermoplasticized with urea/formamide. Zein foams had a higher porosity than starch foams (88% and 85%, respectively) and a narrower and more evenly distributed pore size. Starch foams exhibited a wider span of pore sizes and a larger average pore size than zein (208.84 vs. 55.43 μm2, respectively). Proof-of-concept cell culture experiments confirmed that mouse fibroblasts (NIH 3T3) and two different prostate cancer cell lines (22RV1, DU145) attached to and proliferated on zein foams. Conclusions/Significance We conducted screening and proof-of-concept experiments on the fabrication of foams from cereal-based bioplastics. We propose that a key indicator of foamability is the strain at break of the materials to be foamed (as calculated from stress vs. strain rate curves). Zein foams exhibit attractive properties (average pore size, pore size distribution, and porosity) for cell culture applications; we were able to establish and sustain mammalian cell cultures on zein foams for extended time periods. PMID:25859853

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.

Method of fabrication of supported liquid membranes

DOEpatents

Luebke, David R.; Hong, Lei; Myers, Christina R.

2015-11-17

Method for the fabrication of a supported liquid membrane having a dense layer in contact with a porous layer, and a membrane liquid layer within the interconnected pores of the porous layer. The dense layer is comprised of a solidified material having an average pore size less than or equal to about 0.1 nanometer, while the porous layer is comprised of a plurality of interconnected pores and has an average pore size greater than 10 nanometers. The supported liquid membrane is fabricated through the preparation of a casting solution of a membrane liquid and a volatile solvent. A pressure difference is established across the dense layer and porous layer, the casting solution is applied to the porous layer, and the low viscosity casting solution is drawn toward the dense layer. The volatile solvent is evaporated and the membrane liquid precipitates, generating a membrane liquid layer in close proximity to the dense layer.

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.

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.

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.

Propagation of a cosh-Gaussian beam through an optical system in turbulent atmosphere.

PubMed

Chu, Xiuxiang

2007-12-24

The propagation of a cosh-Gaussian beam through an arbitrary ABCD optical system in turbulent atmosphere has been investigated. The analytical expressions for the average intensity at any receiver plane are obtained. As an elementary example, the average intensity and its radius at the image plane of a cosh-Gaussian beam through a thin lens are studied. To show the effects of a lens on the average intensity and the intensity radius of the laser beam in turbulent atmosphere, the properties of a collimated cosh-Gaussian beam and a focused cosh-Gaussian beam for direct propagation in turbulent atmosphere are studied and numerically calculated. The average intensity profiles of a cosh-Gaussian beam through a lens can have a shape similar to that of the initial beam for a longer propagation distance than that of a collimated cosh-Gaussian beam for direct propagation. With the increment in the propagation distance, the average intensity radius at the image plane of a cosh-Gaussian beam through a thin lens will be smaller than that at the focal plane of a focused cosh-Gaussian beam for direct propagation. Meanwhile, the intensity distributions at the image plane of a cosh-Gaussian beam through a lens with different w(0) and Omega(0) are also studied.

Characterization of the CO2 fluid adsorption in coal as a function of pressure using neutron scattering techniques (SANS and USANS)

USGS Publications Warehouse

Melnichenko, Y.B.; Radlinski, A.P.; Mastalerz, Maria; Cheng, G.; Rupp, J.

2009-01-01

Small angle neutron scattering techniques have been applied to investigate the phase behavior of CO2 injected into coal and possible changes in the coal pore structure that may result from this injection. Three coals were selected for this study: the Seelyville coal from the Illinois Basin (Ro = 0.53%), Baralaba coal from the Bowen Basin (Ro = 0.67%), and Bulli 4 coal from the Sydney Basin (Ro = 1.42%). The coals were selected from different depths to represent the range of the underground CO2 conditions (from subcritical to supercritical) which may be realized in the deep subsurface environment. The experiments were conducted in a high pressure cell and CO2 was injected under a range of pressure conditions, including those corresponding to in-situ hydrostatic subsurface conditions for each coal. Our experiments indicate that the porous matrix of all coals remains essentially unchanged after exposure to CO2 at pressures up to 200??bar (1??bar = 105??Pa). Each coal responds differently to the CO2 exposure and this response appears to be different in pores of various sizes within the same coal. For the Seelyville coal at reservoir conditions (16????C, 50??bar), CO2 condenses from a gas into liquid, which leads to increased average fluid density in the pores (??pore) with sizes (r) 1 ?? 105 ??? r ??? 1 ?? 104???? (??pore ??? 0.489??g/cm3) as well as in small pores with size between 30 and 300???? (??pore ??? 0.671??g/cm3). These values are by a factor of three to four higher than the density of bulk CO2 (??CO2) under similar thermodynamic conditions (??CO2 ??? 0.15??g/cm3). At the same time, in the intermediate size pores with r ??? 1000???? the average fluid density is similar to the density of bulk fluid, which indicates that adsorption does not occur in these pores. At in situ conditions for the Baralaba coal (35 OC, 100??bar), the average fluid density of CO2 in all pores is lower than that of the bulk fluid (??pore / ??CO2 ??? 0.6). Neutron scattering from the Bulli 4 coal did not show any significant variation with pressure, a phenomenon which we assign to the extremely small amount of porosity of this coal in the pore size range between 35 and 100,000????. ?? 2008 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.

Effect of Fe- and Si-Enriched Secondary Precipitates and Surface Roughness on Pore Formation on Aluminum Plate Surfaces During Anodizing

NASA Astrophysics Data System (ADS)

Zhu, Yuanzhi; Wang, Shizhi; Yang, Qingda; Zhou, Feng

2014-09-01

Two twin roll casts (TRCs) and one hot rolled (HR) AA 1235 aluminum alloy plates with different microstructures are prepared. The plates were electrolyzed in a 1.2 wt% HCl solution with a voltage of 21 V and a current of 1.9 mA. The shape, size, and number of pores formed on the surfaces of these plates were analyzed and correlated with the microstructures of the plates. It is found that pores are easier to form on the alloy plates containing subgrains with a lower dislocation density inside the subgrains, rather than along the grain boundaries. Furthermore, Fe- and Si-enriched particles in the AA1235 aluminum alloys lead to the formation of pores on the surface during electrolyzing; the average precipitate sizes of 4, 3.5, and 2 μm in Alloy 1#, Alloy 2# and Alloy 3# result in the average pore sizes of 3.78, 2.76, and 1.9 μm on the surfaces of the three alloys, respectively; The G.P zone in the alloy also facilitates the surface pore formation. High-surface roughness enhances the possibility of entrapping more lubricants into the plate surface, which eventually blocks the formation of the pores on the surface of the aluminum plates in the following electrolyzing process.

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

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.

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

The pore structure and fractal characteristics of shales with low thermal maturity from the Yuqia Coalfield, northern Qaidam Basin, northwestern China

NASA Astrophysics Data System (ADS)

Hou, Haihai; Shao, Longyi; Li, Yonghong; Li, Zhen; Zhang, Wenlong; Wen, Huaijun

2018-03-01

The continental shales from the Middle Jurassic Shimengou Formation of the northern Qaidam Basin, northwestern China, have been investigated in recent years because of their shale gas potential. In this study, a total of twenty-two shale samples were collected from the YQ-1 borehole in the Yuqia Coalfield, northern Qaidam Basin. The total organic carbon (TOC) contents, pore structure parameters, and fractal characteristics of the samples were investigated using TOC analysis, low-temperature nitrogen adsorption experiments, and fractal analysis. The results show that the average pore size of the Shimengou shales varied from 8.149 nm to 20.635 nm with a mean value of 10.74 nm, which is considered mesopore-sized. The pores of the shales are mainly inkbottle- and slit-shaped. The sedimentary environment plays an essential role in controlling the TOC contents of the low maturity shales, with the TOC values of shales from deep to semi-deep lake facies (mean: 5.23%) being notably higher than those of the shore-shallow lake facies (mean: 0.65%). The fractal dimensions range from 2.4639 to 2.6857 with a mean of 2.6122, higher than those of marine shales, which indicates that the pore surface was rougher and the pore structure more complex in these continental shales. The fractal dimensions increase with increasing total pore volume and total specific surface area, and with decreasing average pore size. With increasing TOC contents in shales, the fractal dimensions increase first and then decrease, with the highest value occurring at 2% of TOC content, which is in accordance with the trends between the TOC and both total specific surface area and total pore volume. The pore structure complexity and pore surface roughness of these low-maturity shales would be controlled by the combined effects of both sedimentary environments and the TOC contents.

Advanced morphological analysis of patterns of thin anodic porous alumina

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

Toccafondi, C.; Istituto Italiano di Tecnologia, Department of Nanostructures, Via Morego 30, Genova I 16163; Stępniowski, W.J.

2014-08-15

Different conditions of fabrication of thin anodic porous alumina on glass substrates have been explored, obtaining two sets of samples with varying pore density and porosity, respectively. The patterns of pores have been imaged by high resolution scanning electron microscopy and analyzed by innovative methods. The regularity ratio has been extracted from radial profiles of the fast Fourier transforms of the images. Additionally, the Minkowski measures have been calculated. It was first observed that the regularity ratio averaged across all directions is properly corrected by the coefficient previously determined in the literature. Furthermore, the angularly averaged regularity ratio for themore » thin porous alumina made during short single-step anodizations is lower than that of hexagonal patterns of pores as for thick porous alumina from aluminum electropolishing and two-step anodization. Therefore, the regularity ratio represents a reliable measure of pattern order. At the same time, the lower angular spread of the regularity ratio shows that disordered porous alumina is more isotropic. Within each set, when changing either pore density or porosity, both regularity and isotropy remain rather constant, showing consistent fabrication quality of the experimental patterns. Minor deviations are tentatively discussed with the aid of the Minkowski measures, and the slight decrease in both regularity and isotropy for the final data-points of the porosity set is ascribed to excess pore opening and consequent pore merging. - Highlights: • Thin porous alumina is partly self-ordered and pattern analysis is required. • Regularity ratio is often misused: we fix the averaging and consider its spread. • We also apply the mathematical tool of Minkowski measures, new in this field. • Regularity ratio shows pattern isotropy and Minkowski helps in assessment. • General agreement with perfect artificial patterns confirms the good manufacturing.« less

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.

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.

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%.

[Acid volatile sulfide and bioaccumulation of Cr in sediments from a municipal polluted river].

PubMed

Li, Feng; Wen, Yan-Mao; Zhu, Ping-Ting; Jin, Hui; Song, Wei-Wei; Dai, Rui-Zhi

2009-03-15

Samples of sediment, overlying water, pore water, and benthic invertebrate were collected at 13 stations along a typical municipal polluted river in the Pearl River Delta. The samples were analyzed to study relationships between acid volatile sulfide (AVS) versus Cr(III) and Cr(VI) in sediment, overlying water, and pore water as well as Cr in Limnodrilus sp.. Based on the "Cr hypothesis", the relationship between AVS and bioavailability of Cr in heavily polluted areas was explored to extend the utility of AVS measurements as sediment assessments. The mean value of total Cr in sediment was 329.57 mg/kg, which was 9.4 times of background value (35 mg/kg). The result indicated that the study area has been seriously polluted by Cr. The concentrations of Cr(VI) in sediment and overlying water were low, indicating that most of Cr was in the form of Cr(III). In the study area, the value of AVS was relatively high with an average value of 650.38 mg/kg, while Cr in the pore water was low with the average of 68.42 microg/L. Cr(VI) in the pore water was below the detection limit except at Z1 station. The range of Cr concentrations in Limnodrilus sp. was from 12.46 mg/kg to 38.99 mg/kg of dried weight, with the average of 25.85 mg/kg, which was higher than other similar results in the literature. The result showed that the amount of Cr accumulation in Limnodrilus sp. was significant. A further analysis showed a significant correlation between Cr in Limnodrilus sp. and Cr in the pore water (r = 0.614, p < 0.05). Since most of Cr in pore water was in the form of Cr(III), the toxicity of Cr(III) in pore water to organism can not be neglected in the heavily polluted river.

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.

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.

An efficient adsorption of indigo carmine dye from aqueous solution on mesoporous Mg/Fe layered double hydroxide nanoparticles prepared by controlled sol-gel route.

PubMed

Ahmed, M A; Brick, A A; Mohamed, A A

2017-05-01

A new approach for removal of indigo carmine blue (IC) dye which is extensively used in jeans manufacture was successfully performed on novel mesoporous [LDH] nanoparticles prepared by sol-gel route using CTAB as shape and pore directing agent. The physicochemical features were monitored by X-ray diffraction (XRD), Fourier transformer infra-red (FTIR), N 2 adsorption-desorption isotherm, Field emission electron microscope (FESEM) and high resolution transmission electron microscope (HRTEM). The influence of reaction parameters affecting dye adsorption including contact time, initial dye concentration, pH and temperature were investigated. Textural analysis and HRTEM images indicate the existence of mesoporous spherical nanoparticles of size = 26 nm connected to each other's and embedded large numbers of mesopores of average pore radius = 43.5 Å. A successful adsorption of IC on LDH nanoparticles of surface area = 85.6 m 2 /g at various pH with maximum adsorption capacity = 62.8 mg/g at pH = 9.5. Langmuir model is more favorable to describe the adsorption of IC rather than Freundlich model which reflecting the preferential formation of monolayer on the surface of LDH. Both film diffusion and the intraparticle diffusion affect the dye adsorption. The values of enthalpy change (ΔH) for and (ΔS) are + 28.18 and + 0.118 kJ/mol, respectively indicating that the removal process is endothermic. The results indicated that LDH nanoparticles conserved a good activity even after five consecutive cycles of reuse. Our results suggest that mesoporous LDH nanoparticles are considered a potential novel adsorbent for remediation of wastewater containing IC. Copyright © 2017 Elsevier Ltd. All rights reserved.

[Roof folding and rotary pushing for the treatment of back to back fractures of distal radius and ulna in children].

PubMed

Xu, Ping; Dong, Xiao-jun; Lu, Zhou-tong; Wang, Gongjun; Zhang, Han-qing; Chen, Xuan-ning; Li, Dong

2015-09-01

To evaluate the technique and the clinical effect of folding roof and rotary pushing in treatment of children with distal radius and ulna fracture of "back to back". From January 2012 to February 2014,38 children with distal radius and ulna fracture of "back to back" were treated by using the technique of folding roof and rotary pushing to reset and splint fixation including 23 males and 15 females with an average age of 9.5 years old ranging from 6 to 14 years old. Injury time was from 45 min to 3 days (averaged 1.3 days). All cases was unilateral closed fracture without symptoms of nerve injury occurred. The wrist joint anteroposterior and lateral radiographs showed double fracture of radius and ulna, and the broken end of radius was typical "back to back" displacement. The quality of reduction was assessed according to Dienst recommendation on the combination of Aro measurement, and the therapeutic effect was evaluated using standard of Anderson function. All patients were followed up from 3 to 13 months with an average of 6 months. There were no iatrogenic nerve injury. Thirty cases were treated successfully for the first time, 8 cases were again reset successfully; 28 cases were anatomical reduction, 7 cases were near anatomic reduction, 3 cases were functional reduction. At the second day 7 cases with hand and finger swelling appeared in multiple reset patients. Quality results of reduction were excellent in 33 cases, good in 5 cases. According to the standard of Anderson function evaluation, 35 cases were excellent, 3 cases were good. All fractures were healed with of deformity of wrist. Using the technique of folding roof and rotary pushing in treatment of children with distal radius and ulna fracture of "back to back" is very successful, the patient's limb function recovered well, the whole operation process is simple.

Exercise Increases the Cardiovascular Stimulus Provided by Artificial Gravity

NASA Technical Reports Server (NTRS)

Howarth, M. S.; Moore, F. B.; Hinghofer-Szalkay, H.; Jezova, D.; Diedrich, A.; Ferris, M. B.; Schlegel, T. T.; Pathwardhan, A. R.; Knapp, C. F.; Evans, J. M.

2008-01-01

We investigated fluid shifts and regulatory responses to variations of posture, exercise, Gz level and radius of rotation in subjects riding NASA Ames 20G centrifuge. Results are from 4 protocols that address radius and exercise effects only. Protocol A: After 10 min supine control, 12 healthy men (35 plus or minus 9 yr, 82.8 plus or minus 7.9 kg) were exposed to rotational 1 Gz (2.5 m radius) for 2 min followed by 20 min alternating between 1 and 1.25 Gz. Blood samples were taken pre and post spin. Protocol B: Same as A, but lower limb exercise (70% V02max) preceded ramps to 1.25 Gz. Protocol C: Same as A but radius of rotation 8.3 m. Protocol D: Same as B but at 8.3 m. The 8 subjects who completed all protocols, increased heart rate (HR) from control, on average, by: A: 5, B: 39, C: 11, D: 44 bpm. For thoracic fluid volume, (bioimpedance), the 8 subjects changed from control, on average: A: -394, B: -548, C: -537, D: -708 mL. For thigh fluid volume, changes from control, on average, were: A: -137, B: 129, C: -75, D: 159 mL. Hematocrit changes from control were: A: 2.3, B: 3.5, C: 2.3, D: 4.3 %. Radius effects were mild and included greater loss of fluid from the thorax, less fluid loss from the thigh and increased heart rate at the longer radius. Pre-acceleration exercise effects were more dramatic and included additional loss of fluid from the chest, increased fluid volume of the thigh, increased hematocrit and greater heart rate increases. We propose that short bouts of intense exercise can be used to magnify the cardiovascular stress delivered by artificial gravity (AG) training and the combination of AG with exercise training can be fine-tuned to preserve orthostatic tolerance of astronauts during spaceflight.

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

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.

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.

EVALUATION AND ANALYSIS OF MICROSCALE FLOW AND TRANSPORT DURING REMEDIATION

EPA Science Inventory

The design of in-situ remediation is currently based on a description at the macroscopic scale. Phenomena at the pore and pore-network scales are typically lumped in terms of averaged quantities, using empirical or ad hoc expressions. These models cannot address fundamental rem...

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

Study of CdTe quantum dots grown using a two-step annealing method

NASA Astrophysics Data System (ADS)

Sharma, Kriti; Pandey, Praveen K.; Nagpal, Swati; Bhatnagar, P. K.; Mathur, P. C.

2006-02-01

High size dispersion, large average radius of quantum dot and low-volume ratio has been a major hurdle in the development of quantum dot based devices. In the present paper, we have grown CdTe quantum dots in a borosilicate glass matrix using a two-step annealing method. Results of optical characterization and the theoretical model of absorption spectra have shown that quantum dots grown using two-step annealing have lower average radius, lesser size dispersion, higher volume ratio and higher decrease in bulk free energy as compared to quantum dots grown conventionally.

Methane adsorption in nanoporous carbon: the numerical estimation of optimal storage conditions

NASA Astrophysics Data System (ADS)

Ortiz, L.; Kuchta, B.; Firlej, L.; Roth, M. W.; Wexler, C.

2016-05-01

The efficient storage and transportation of natural gas is one of the most important enabling technologies for use in energy applications. Adsorption in porous systems, which will allow the transportation of high-density fuel under low pressure, is one of the possible solutions. We present and discuss extensive grand canonical Monte Carlo (GCMC) simulation results of the adsorption of methane into slit-shaped graphitic pores of various widths (between 7 Å and 50 Å), and at pressures P between 0 bar and 360 bar. Our results shed light on the dependence of film structure on pore width and pressure. For large widths, we observe multi-layer adsorption at supercritical conditions, with excess amounts even at large distances from the pore walls originating from the attractive interaction exerted by a very high-density film in the first layer. We are also able to successfully model the experimental adsorption isotherms of heterogeneous activated carbon samples by means of an ensemble average of the pore widths, based exclusively on the pore-size distributions (PSD) calculated from subcritical nitrogen adsorption isotherms. Finally, we propose a new formula, based on the PSD ensemble averages, to calculate the isosteric heat of adsorption of heterogeneous systems from single-pore-width calculations. The methods proposed here will contribute to the rational design and optimization of future adsorption-based storage tanks.

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.

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.

Characterization of branched ultrahigh molar mass polymers by asymmetrical flow field-flow fractionation and size exclusion chromatography.

PubMed

Otte, T; Pasch, H; Macko, T; Brüll, R; Stadler, F J; Kaschta, J; Becker, F; Buback, M

2011-07-08

The molar mass distribution (MMD) of synthetic polymers is frequently analyzed by size exclusion chromatography (SEC) coupled to multi angle light scattering (MALS) detection. For ultrahigh molar mass (UHM) or branched polymers this method is not sufficient, because shear degradation and abnormal elution effects falsify the calculated molar mass distribution and information on branching. High temperatures above 130 °C have to be applied for dissolution and separation of semi-crystalline materials like polyolefins which requires special hardware setups. Asymmetrical flow field-flow fractionation (AF4) offers the possibility to overcome some of the main problems of SEC due to the absence of an obstructing porous stationary phase. The SEC-separation mainly depends on the pore size distribution of the used column set. The analyte molecules can enter the pores of the stationary phase in dependence on their hydrodynamic volume. The archived separation is a result of the retention time of the analyte species inside SEC-column which depends on the accessibility of the pores, the residence time inside the pores and the diffusion ability of the analyte molecules. The elution order in SEC is typically from low to high hydrodynamic volume. On the contrary AF4 separates according to the diffusion coefficient of the analyte molecules as long as the chosen conditions support the normal FFF-separation mechanism. The separation takes place in an empty channel and is caused by a cross-flow field perpendicular to the solvent flow. The analyte molecules will arrange in different channel heights depending on the diffusion coefficients. The parabolic-shaped flow profile inside the channel leads to different elution velocities. The species with low hydrodynamic volume will elute first while the species with high hydrodynamic volume elute later. The AF4 can be performed at ambient or high temperature (AT-/HT-AF4). We have analyzed one low molar mass polyethylene sample and a number of narrow distributed polystyrene standards as reference materials with known structure by AT/HT-SEC and AT/HT-AF4. Low density polyethylenes as well as polypropylene and polybutadiene, containing high degrees of branching and high molar masses, have been analyzed with both methods. As in SEC the relationship between the radius of gyration (R(g)) or the molar mass and the elution volume is curved up towards high elution volumes, a correct calculation of the MMD and the molar mass average or branching ratio is not possible using the data from the SEC measurements. In contrast to SEC, AF4 allows the precise determination of the MMD, the molar mass averages as well as the degree of branching because the molar mass vs. elution volume curve and the conformation plot is not falsified in this technique. In addition, higher molar masses can be detected using HT-AF4 due to the absence of significant shear degradation in the channel. As a result the average molar masses obtained from AF4 are higher compared to SEC. The analysis time in AF4 is comparable to that of SEC but the adjustable cross-flow program allows the user to influence the separation efficiency which is not possible in SEC without a costly change of the whole column combination. Copyright © 2011 Elsevier B.V. All rights reserved.

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.

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.

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.

Noninvasive microwave ablation zone radii estimation using x-ray CT image analysis.

PubMed

Weiss, Noam; Goldberg, S Nahum; Nissenbaum, Yitzhak; Sosna, Jacob; Azhari, Haim

2016-08-01

The aims of this study were to noninvasively and automatically estimate both the radius of the ablated liver tissue and the radius encircling the treated zone, which also defines where the tissue is definitely untreated during a microwave (MW) thermal ablation procedure. Fourteen ex vivo bovine fresh liver specimens were ablated at 40 W using a 14 G microwave antenna, for durations of 3, 6, 8, and 10 min. The tissues were scanned every 5 s during the ablation using an x-ray CT scanner. In order to estimate the radius of the ablation zone, the acquired images were transformed into a polar presentation by displaying the Hounsfield units (HU) as a function of angle and radius. From this polar presentation, the average HU radial profile was analyzed at each time point and the ablation zone radius was estimated. In addition, textural analysis was applied to the original CT images. The proposed algorithm identified high entropy regions and estimated the treated zone radius per time. The estimated ablated zone radii as a function of treatment durations were compared, by means of correlation coefficient and root mean square error (RMSE) to gross pathology measurements taken immediately post-treatment from similarly ablated tissue. Both the estimated ablation radii and the treated zone radii demonstrated strong correlation with the measured gross pathology values (R(2) ≥ 0.89 and R(2) ≥ 0.86, respectively). The automated ablation radii estimation had an average discrepancy of less than 1 mm (RMSE = 0.65 mm) from the gross pathology measured values, while the treated zone radii showed a slight overestimation of approximately 1.5 mm (RMSE = 1.6 mm). Noninvasive monitoring of MW ablation using x-ray CT and image analysis is feasible. Automatic estimations of the ablation zone radius and the radius encompassing the treated zone that highly correlate with actual ablation measured values can be obtained. This technique can therefore potentially be used to obtain real time monitoring and improve the clinical outcome.

Melting/freezing behavior of a fluid confined in porous glasses and MCM-41: Dielectric spectroscopy and molecular simulation

NASA Astrophysics Data System (ADS)

Sliwinska-Bartkowiak, Malgorzata; Dudziak, Grazyna; Sikorski, Roman; Gras, Roman; Radhakrishnan, Ravi; Gubbins, Keith E.

2001-01-01

We report both experimental measurements and molecular simulations of the melting and freezing behavior of fluids in nanoporous media. The experimental studies are for nitrobenzene in the silica-based pores of controlled pore glass, Vycor, and MCM-41. Dielectric relaxation spectroscopy is used to determine melting points and the orientational relaxation times of the nitrobenzene molecules in the bulk and the confined phase. Monte Carlo simulations, together with a bond orientational order parameter method, are used to determine the melting point and fluid structure inside cylindrical pores modeled on silica. Qualitative comparison between experiment and simulation are made for the shift in the freezing temperatures and the structure of confined phases. From both the experiments and the simulations, it is found that the confined fluid freezes into a single crystalline structure for average pore diameters greater than 20σ, where σ is the diameter of the fluid molecule. For average pore sizes between 20σ and 15σ, part of the confined fluid freezes into a frustrated crystal structure with the rest forming an amorphous region. For pore sizes smaller than 15σ, even the partial crystallization did not occur. Our measurements and calculations show clear evidence of a novel intermediate "contact layer" phase lying between liquid and crystal; the contact layer is the confined molecular layer adjacent to the pore wall and experiences a deeper fluid-wall potential energy compared to the inner layers. We also find evidence of a liquid to "hexatic" transition in the quasi-two-dimensional contact layer at high temperatures.

Development of biocomposed material based on zirconium oxide for regeneration of bone tissue

NASA Astrophysics Data System (ADS)

Lytkin, Ivan; Buyakov, Ales; Kurzina, Irina

2017-11-01

Porous ceramic materials based on magnesium oxide stabilized zirconia were studied. The pore structure and thin crystalline structure were studied. The porosity of some of the materials studied was obtained by conducting a pore-forming additive, UHMWPE. It is shown that after impregnation with polylactide, the residual porosity varies from 22.5 to 5.9%. The average pore size was 2 µm. X-Ray diffraction analysis showed that the fine crystal structure of the ceramic is mainly represented by baddeleyite.

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

Dynamic three-dimensional pore-scale imaging of reaction in a carbonate at reservoir conditions.

PubMed

Menke, Hannah P; Bijeljic, Branko; Andrew, Matthew G; Blunt, Martin J

2015-04-07

Quantifying CO2 transport and average effective reaction rates in the subsurface is essential to assess the risks associated with underground carbon capture and storage. We use X-ray microtomography to investigate dynamic pore structure evolution in situ at temperatures and pressures representative of underground reservoirs and aquifers. A 4 mm diameter Ketton carbonate core is injected with CO2-saturated brine at 50 °C and 10 MPa while tomographic images are taken at 15 min intervals with a 3.8 μm spatial resolution over a period of 2(1/2) h. An approximate doubling of porosity with only a 3.6% increase in surface area to volume ratio is measured from the images. Pore-scale direct simulation and network modeling on the images quantify an order of magnitude increase in permeability and an appreciable alteration of the velocity field. We study the uniform reaction regime, with dissolution throughout the core. However, at the pore scale, we see variations in the degree of dissolution with an overall reaction rate which is approximately 14 times lower than estimated from batch measurements. This work implies that in heterogeneous rocks, pore-scale transport of reactants limits dissolution and can reduce the average effective reaction rate by an order of magnitude.

Pore architecture of nanoporous gold and titania by hydrogen thermoporometry

DOE PAGES

Johnston, L. T.; Biener, M. M.; Ye, J. C.; ...

2015-07-10

Nanoporous gold (NPG) and materials derived from it by templating have complex pore architecture that determines their technologically relevant physical properties. Here, we apply high-resolution hydrogen thermoporometry to study the pore structure of NPG and NPG-derived titania nanofoam (TNF). Results reveal complex multimodal pore size distributions for NPG and TNF. The freezing–melting hysteresis is pronounced, with freezing and melting scans having entirely different shapes. Experiments involving partial freeze–melt cycles reveal the lack of direct correlation between individual freezing and melting peaks, pointing to phenomena that are beyond the Gibbs-Thomson formalism. The depression of the average freezing temperature scales linearly withmore » the ratio of the internal surface area (measured by gas sorption) and the total pore volume derived from the density of monoliths. In conclusion, thermoporometry yields total pore volumes in good agreement with those derived from monolith densities for both NPG and TNF.« less

Pore architecture of nanoporous gold and titania by hydrogen thermoporometry

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

Johnston, L. T.; Biener, M. M.; Ye, J. C.

Nanoporous gold (NPG) and materials derived from it by templating have complex pore architecture that determines their technologically relevant physical properties. Here, we apply high-resolution hydrogen thermoporometry to study the pore structure of NPG and NPG-derived titania nanofoam (TNF). Results reveal complex multimodal pore size distributions for NPG and TNF. The freezing–melting hysteresis is pronounced, with freezing and melting scans having entirely different shapes. Experiments involving partial freeze–melt cycles reveal the lack of direct correlation between individual freezing and melting peaks, pointing to phenomena that are beyond the Gibbs-Thomson formalism. The depression of the average freezing temperature scales linearly withmore » the ratio of the internal surface area (measured by gas sorption) and the total pore volume derived from the density of monoliths. In conclusion, thermoporometry yields total pore volumes in good agreement with those derived from monolith densities for both NPG and TNF.« less

Detailed investigation of the impact of the fiber design parameters on the transverse Anderson localization of light in disordered optical fibers.

PubMed

Karbasi, Salman; Mirr, Craig R; Frazier, Ryan J; Yarandi, Parisa Gandomkar; Koch, Karl W; Mafi, Arash

2012-08-13

We recently reported the observation of transverse Anderson localization as the waveguiding mechanism in optical fibers with random transverse refractive index profiles [Opt. Lett. 37, 2304 (2012)]. Here, we explore the impact of the design parameters of the disordered fiber on the beam radius of the propagating transverse localized beam. We show that the optimum value of the fill-fraction of the disorder is 50% and a lower value results in a larger beam radius. We also explore the impact of the average size of the individual random features on the value of the localized beam radius and show how the boundary of the fiber can impact the observed localization radius. A larger refractive index contrast between the host medium and the disorder sites results in smaller value of the beam radius.

Dynamic injury tolerances for long bones of the female upper extremity

PubMed Central

DUMA, STEFAN M.; SCHREIBER, PHIL H.; McMASTER, JOHN D.; CRANDALL, JEFF R.; BASS, CAMERON R.; PILKEY, WALTER D.

1999-01-01

This paper presents the dynamic injury tolerances for the female humerus and forearm derived from dynamic 3-point bending tests using 22 female cadaver upper extremities. Twelve female humeri were tested at an average strain rate of 3.7±1.3%/s. The strain rates were chosen to be representative of those observed during upper extremity interaction with frontal and side airbags. The average moment to failure when mass scaled for the 5th centile female was 128±19 Nm. Using data from the in situ strain gauges during the drop tests and geometric properties obtained from pretest CT scans, an average dynamic elastic modulus for the female humerus was found to be 24.4±3.9 GPa. The injury tolerance for the forearm was determined from 10 female forearms tested at an average strain rate of 3.94±2.0%/s. Using 3 matched forearm pairs, it was determined that the forearm is 21% stronger in the supinated position (92±5 Nm) versus the pronated position (75±7 Nm). Two distinct fracture patterns were seen for the pronated and supinated groups. In the supinated position the average difference in fracture time between the radius and ulna was a negligible 0.4±0.3 ms. However, the pronated tests yielded an average difference in fracture time of 3.6±1.2 ms, with the ulna breaking before the radius in every test. This trend implies that in the pronated position, the ulna and radius are loaded independently, while in the supinated position the ulna and radius are loaded together as a combined structure. To produce a conservative injury criterion, a total of 7 female forearms were tested in the pronated position, which resulted in the forearm injury criterion of 58±12 Nm when scaled for the 5th centile female. It is anticipated that these data will provide injury reference values for the female forearm during driver air bag loading, and the female humerus during side air bag loading. PMID:10386782

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.

Comparison of Two Methods for Determination of Strontium Isotopes in Pore Water at Yucca Mountain, Nevada

NASA Astrophysics Data System (ADS)

Marshall, B. D.; Futa, K.; Scofield, K. M.

2002-12-01

The proposed radioactive waste repository at Yucca Mountain, Nevada would be constructed in the high-silica rhyolite member of the Topopah Spring Tuff, an ash-flow tuff within the ~500-m-thick unsaturated zone. Dry-drilled rock cores from this unit have been packaged to preserve their water content. Two methods have been used to extract the strontium contained in the pore water for isotopic measurements. In the first method, samples of dried core were crushed, and the 0.25 to 2.4 mm size fractions were leached with ultra-pure water for about 1 hour to dissolve the salts left behind by the evaporated pore water. Concentrations of strontium in the pore water were calculated from determinations of porosity and saturation on adjacent core and the measured strontium concentration in the leachate. In the second method, pore water was extracted from sealed core using an ultracentrifuge, minimizing evaporation of water from the core at all steps in the process. The centrifugation of 150 to 200 g of welded tuff at 15,000 rpm for 6 hours typically results in the recovery of as much as 3 ml of pore water for analysis. Strontium isotope compositions were determined by thermal ionization mass spectrometry; 87Sr /86Sr ratios have a reproducibility of 0.00005. The ranges of 87Sr/86Sr ratios determined by the two methods are identical: 0.71215 to 0.71267 in the leachates (n = 35) and 0.71214 to 0.71266 in the extracted pore waters (n = 21). However, the calculated strontium concentrations in the leachates average 300 μg/L, whereas those in the extracted pore water average 1440 μg/L, indicating that a substantial portion of the pore-water salts remain in the crushed rock after leaching. The strontium data determined on extracted pore water shows that the leaching of pore-water salts results in accurate 87Sr/86Sr, but that a substantial correction to the strontium concentration is required due to the inefficiency of the leaching procedure and the small pore sizes in the welded tuffs. The strontium isotope data obtained on leachates can be used to constrain models of water-rock interaction and estimates of travel times in the unsaturated zone.

Fractal Characteristics of Continental Shale Pores and its Significance to the Occurrence of Shale Oil in China: a Case Study of Biyang Depression

NASA Astrophysics Data System (ADS)

Li, Jijun; Liu, Zhao; Li, Junqian; Lu, Shuangfang; Zhang, Tongqian; Zhang, Xinwen; Yu, Zhiyuan; Huang, Kaizhan; Shen, Bojian; Ma, Yan; Liu, Jiewen

Samples from seven major exploration wells in Biyang Depression of Henan Oilfield were compared using low-temperature nitrogen adsorption and shale oil adsorption experiments. Comprehensive analysis of pore development, oiliness and shale oil flowability was conducted by combining fractal dimension. The results show that the fractal dimension of shale in Biyang Depression of Henan Oilfield was negatively correlated with the average pore size and positively correlated with the specific surface area. Compared with the large pore, the small pore has great fractal dimension, indicating the pore structure is more complicated. Using S1 and chloroform bitumen A to evaluate the relationship between shale oiliness and pore structure, it was found that the more heterogeneous the shale pore structure, the higher the complexity and the poorer the oiliness. Clay minerals are the main carriers involved in crude oil adsorption, affecting the mobility of shale oil. When the pore complexity of shale was high, the content of micro- and mesopores was high, and the high specific surface area could enhance the adsorption and reduce the mobility of shale oil.

Measurement and Analysis of Porosity in Al-10Si-1Mg Components Additively Manufactured by Selective Laser Melting

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

Rao, Suraj; Cunningham, Ross; Ozturk, Tugce

Aluminum alloys are candidate materials for weight critical applications because of their excellent strength and stiffness to weight ratio. However, defects such as voids decrease the strength and fatigue life of these alloys, which can limit the application of Selective Laser Melting. In this study, the average volume fraction, average size, and size distribution of pores in Al10-Si-1Mg samples built using Selective Laser Melting have been characterized. Synchrotron high energy X-rays were used to perform computed tomography on volumes of order one cubic millimeter with a resolution of approximately 1.5 μm. Substantial variations in the pore size distributions were foundmore » as a function of process conditions. Even under conditions that ensured that all locations were melted at least once, a significant number density was found of pores above 5 μm in diameter.« 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.

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.

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.

Synchrotron quantification of ultrasound cavitation and bubble dynamics in Al-10Cu melts.

PubMed

Xu, W W; Tzanakis, I; Srirangam, P; Mirihanage, W U; Eskin, D G; Bodey, A J; Lee, P D

2016-07-01

Knowledge of the kinetics of gas bubble formation and evolution under cavitation conditions in molten alloys is important for the control casting defects such as porosity and dissolved hydrogen. Using in situ synchrotron X-ray radiography, we studied the dynamic behaviour of ultrasonic cavitation gas bubbles in a molten Al-10 wt%Cu alloy. The size distribution, average radius and growth rate of cavitation gas bubbles were quantified under an acoustic intensity of 800 W/cm(2) and a maximum acoustic pressure of 4.5 MPa (45 atm). Bubbles exhibited a log-normal size distribution with an average radius of 15.3 ± 0.5 μm. Under applied sonication conditions the growth rate of bubble radius, R(t), followed a power law with a form of R(t)=αt(β), and α=0.0021 &β=0.89. The observed tendencies were discussed in relation to bubble growth mechanisms of Al alloy melts. Copyright © 2016 Elsevier B.V. All rights reserved.

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.

Finite-size and asymptotic behaviors of the gyration radius of knotted cylindrical self-avoiding polygons.

PubMed

Shimamura, Miyuki K; Deguchi, Tetsuo

2002-05-01

Several nontrivial properties are shown for the mean-square radius of gyration R2(K) of ring polymers with a fixed knot type K. Through computer simulation, we discuss both finite size and asymptotic behaviors of the gyration radius under the topological constraint for self-avoiding polygons consisting of N cylindrical segments with radius r. We find that the average size of ring polymers with the knot K can be much larger than that of no topological constraint. The effective expansion due to the topological constraint depends strongly on the parameter r that is related to the excluded volume. The topological expansion is particularly significant for the small r case, where the simulation result is associated with that of random polygons with the knot K.

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.

Big and small: menisci in soil pores affect water pressures, dynamics of groundwater levels, and catchment-scale average matric potentials

NASA Astrophysics Data System (ADS)

de Rooij, G. H.

2010-09-01

Soil water is confined behind the menisci of its water-air interface. Catchment-scale fluxes (groundwater recharge, evaporation, transpiration, precipitation, etc.) affect the matric potential, and thereby the interface curvature and the configuration of the phases. In turn, these affect the fluxes (except precipitation), creating feedbacks between pore-scale and catchment-scale processes. Tracking pore-scale processes beyond the Darcy scale is not feasible. Instead, for a simplified system based on the classical Darcy's Law and Laplace-Young Law we i) clarify how menisci transfer pressure from the atmosphere to the soil water, ii) examine large-scale phenomena arising from pore-scale processes, and iii) analyze the relationship between average meniscus curvature and average matric potential. In stagnant water, changing the gravitational potential or the curvature of the air-water interface changes the pressure throughout the water. Adding small amounts of water can thus profoundly affect water pressures in a much larger volume. The pressure-regulating effect of the interface curvature showcases the meniscus as a pressure port that transfers the atmospheric pressure to the water with an offset directly proportional to its curvature. This property causes an extremely rapid rise of phreatic levels in soils once the capillary fringe extends to the soil surface and the menisci flatten. For large bodies of subsurface water, the curvature and vertical position of any meniscus quantify the uniform hydraulic potential under hydrostatic equilibrium. During unit-gradient flow, the matric potential corresponding to the mean curvature of the menisci should provide a good approximation of the intrinsic phase average of the matric potential.

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

NASA Astrophysics Data System (ADS)

Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

2015-08-01

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in irradiated materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1.0a0 to 3.3a0 have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomic level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a0 by taking the average of the recombination distances from 80 simulation cases. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.

Does bone measurement on the radius indicate skeletal status. Concise communication

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

Mazess, R.B.; Peppler, W.W.; Chesney, R.W.

1984-03-01

Single-photon (I-125) absorptiometry was used to measure bone mineral content (BMC) of the distal third of the radius, and dual-photon absorptiometry (Gd-153) was used to measure total-body bone mineral (TBBM), as well as the BMC of major skeletal regions. Measurements were done in normal females, normal males, osteoporotic females, osteoporotic males, and renal patients. The BMC of the radius predicted TBBM well in normal subjects, but was less satisfactory in the patient groups. The spinal BMC was predicted with even lower accuracy from radius measurement. The error in predicting areal density (bone mass per unit projected skeletal area) of themore » lumbar and thoracic spine from the radius BMC divided by its width was smaller, but the regressions differed significantly among normals, osteoporotics, and renal patients. There was a preferential spinal osteopenia in the osteoporotic group and in about half of the renal patients. Bone measurements on the radius can indicate overall skeletal status in normal subjects and to a lesser degree in patients, but these radius measurements are inaccurate, even on the average, as an indicator of spinal state.« less

The Impact of Subsampling on MODIS Level-3 Statistics of Cloud Optical Thickness and Effective Radius

NASA Technical Reports Server (NTRS)

Oreopoulos, Lazaros

2004-01-01

The MODIS Level-3 optical thickness and effective radius cloud product is a gridded l deg. x 1 deg. dataset that is derived from aggregation and subsampling at 5 km of 1 km, resolution Level-2 orbital swath data (Level-2 granules). This study examines the impact of the 5 km subsampling on the mean, standard deviation and inhomogeneity parameter statistics of optical thickness and effective radius. The methodology is simple and consists of estimating mean errors for a large collection of Terra and Aqua Level-2 granules by taking the difference of the statistics at the original and subsampled resolutions. It is shown that the Level-3 sampling does not affect the various quantities investigated to the same degree, with second order moments suffering greater subsampling errors, as expected. Mean errors drop dramatically when averages over a sufficient number of regions (e.g., monthly and/or latitudinal averages) are taken, pointing to a dominance of errors that are of random nature. When histograms built from subsampled data with the same binning rules as in the Level-3 dataset are used to reconstruct the quantities of interest, the mean errors do not deteriorate significantly. The results in this paper provide guidance to users of MODIS Level-3 optical thickness and effective radius cloud products on the range of errors due to subsampling they should expect and perhaps account for, in scientific work with this dataset. In general, subsampling errors should not be a serious concern when moderate temporal and/or spatial averaging is performed.

Effect of tank geometry on its average performance

NASA Astrophysics Data System (ADS)

Orlov, Aleksey A.; Tsimbalyuk, Alexandr F.; Malyugin, Roman V.; Leontieva, Daria A.; Kotelnikova, Alexandra A.

2018-03-01

The mathematical model of non-stationary filling of vertical submerged tanks with gaseous uranium hexafluoride is presented in the paper. There are calculations of the average productivity, heat exchange area, and filling time of various volumes tanks with smooth inner walls depending on their "height : radius" ratio as well as the average productivity, degree, and filling time of horizontal ribbing tank with volume 6.10-2 m3 with change central hole diameter of the ribs. It has been shown that the growth of "height / radius" ratio in tanks with smooth inner walls up to the limiting values allows significantly increasing tank average productivity and reducing its filling time. Growth of H/R ratio of tank with volume 1.0 m3 to the limiting values (in comparison with the standard tank having H/R equal 3.49) augments tank productivity by 23.5 % and the heat exchange area by 20%. Besides, we have demonstrated that maximum average productivity and a minimum filling time are reached for the tank with volume 6.10-2 m3 having central hole diameter of horizontal ribs 6.4.10-2 m.

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.

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.

Broad ion energy distributions in helicon wave-coupled helium plasma

NASA Astrophysics Data System (ADS)

Woller, K. B.; Whyte, D. G.; Wright, G. M.

2017-05-01

Helium ion energy distributions were measured in helicon wave-coupled plasmas of the dynamics of ion implantation and sputtering of surface experiment using a retarding field energy analyzer. The shape of the energy distribution is a double-peak, characteristic of radiofrequency plasma potential modulation. The broad distribution is located within a radius of 0.8 cm, while the quartz tube of the plasma source has an inner radius of 2.2 cm. The ion energy distribution rapidly changes from a double-peak to a single peak in the radius range of 0.7-0.9 cm. The average ion energy is approximately uniform across the plasma column including the double-peak and single peak regions. The widths of the broad distribution, ΔE , in the wave-coupled mode are large compared to the time-averaged ion energy, ⟨E ⟩. On the axis (r = 0), ΔE / ⟨E ⟩ ≲ 3.4, and at a radius near the edge of the plasma column (r = 2.2 cm), ΔE / ⟨E ⟩ ˜ 1.2. The discharge parameter space is scanned to investigate the effects of the magnetic field, input power, and chamber fill pressure on the wave-coupled mode that exhibits the sharp radial variation in the ion energy distribution.

Scaling of Linking and Writhing Numbers for Spherically Confined and Topologically Equilibrated Flexible Polymers

PubMed Central

Marko, John F.

2011-01-01

Scaling laws for Gauss linking number Ca and writhing number Wr for spherically confined flexible polymers with thermally fluctuating topology are analyzed. For ideal (phantom) polymers each of N segments of length unity confined to a spherical pore of radius R there are two scaling regimes: for sufficiently weak confinement (R ⪢ N1/3) each chain has |Wr| ≈ N1/2, and each pair of chains has average |Ca| ≈ N/R3/2; alternately for sufficiently tight confinement (N1/3 ⪢ R), |Wr| ≈ |CA| ≈ N/R3/2. Adding segment-segment avoidance modifies this result: for n chains with excluded volume interactions |Ca| ≈ (N/n)1/2f(ϕ) where f is a scaling function that depends approximately linearly on the segment concentration ϕ = nN/R3. Scaling results for writhe are used to estimate the maximum writhe of a polymer; this is demonstrated to be realizable through a writhing instability that occurs for a polymer which is able to change knotting topology and which is subject to an applied torque. Finally, scaling results for linking are used to estimate bounds on the entanglement complexity of long chromosomal DNA molecules inside cells, and to show how “lengthwise” chromosome condensation can suppress DNA entanglement. PMID:21686050

Fluid identification based on P-wave anisotropy dispersion gradient inversion for fractured reservoirs

NASA Astrophysics Data System (ADS)

Zhang, J. W.; Huang, H. D.; Zhu, B. H.; Liao, W.

2017-10-01

Fluid identification in fractured reservoirs is a challenging issue and has drawn increasing attentions. As aligned fractures in subsurface formations can induce anisotropy, we must choose parameters independent with azimuths to characterize fractures and fluid effects such as anisotropy parameters for fractured reservoirs. Anisotropy is often frequency dependent due to wave-induced fluid flow between pores and fractures. This property is conducive for identifying fluid type using azimuthal seismic data in fractured reservoirs. Through the numerical simulation based on Chapman model, we choose the P-wave anisotropy parameter dispersion gradient (PADG) as the new fluid factor. PADG is dependent both on average fracture radius and fluid type but independent on azimuths. When the aligned fractures in the reservoir are meter-scaled, gas-bearing layer could be accurately identified using PADG attribute. The reflection coefficient formula for horizontal transverse isotropy media by Rüger is reformulated and simplified according to frequency and the target function for inverting PADG based on frequency-dependent amplitude versus azimuth is derived. A spectral decomposition method combining Orthogonal Matching Pursuit and Wigner-Ville distribution is used to prepare the frequency-division data. Through application to synthetic data and real seismic data, the results suggest that the method is useful for gas identification in reservoirs with meter-scaled fractures using high-qualified seismic data.

On connecting large vessels to small. The meaning of Murray's law

PubMed Central

1981-01-01

A large part of the branching vasculature of the mammalian circulatory and respiratory systems obeys Murray's law, which states that the cube of the radius of a parent vessel equals the sum of the cubes of the radii of the daughters. Where this law is obeyed, a functional relationship exists between vessel radius and volumetric flow, average linear velocity of flow, velocity profile, vessel-wall shear stress, Reynolds number, and pressure gradient in individual vessels. In homogeneous, full-flow sets of vessels, a relation is also established between vessel radius and the conductance, resistance, and cross- sectional area of a full-flow set. PMID:7288393

Fast Two-Dimensional Bubble Analysis of Biopolymer Filamentous Networks Pore Size from Confocal Microscopy Thin Data Stacks

PubMed Central

Molteni, Matteo; Magatti, Davide; Cardinali, Barbara; Rocco, Mattia; Ferri, Fabio

2013-01-01

The average pore size ξ0 of filamentous networks assembled from biological macromolecules is one of the most important physical parameters affecting their biological functions. Modern optical methods, such as confocal microscopy, can noninvasively image such networks, but extracting a quantitative estimate of ξ0 is a nontrivial task. We present here a fast and simple method based on a two-dimensional bubble approach, which works by analyzing one by one the (thresholded) images of a series of three-dimensional thin data stacks. No skeletonization or reconstruction of the full geometry of the entire network is required. The method was validated by using many isotropic in silico generated networks of different structures, morphologies, and concentrations. For each type of network, the method provides accurate estimates (a few percent) of the average and the standard deviation of the three-dimensional distribution of the pore sizes, defined as the diameters of the largest spheres that can be fit into the pore zones of the entire gel volume. When applied to the analysis of real confocal microscopy images taken on fibrin gels, the method provides an estimate of ξ0 consistent with results from elastic light scattering data. PMID:23473499

Improved consolidation of silicon carbide

NASA Technical Reports Server (NTRS)

Freedman, M. R.; Millard, M. L.

1986-01-01

Alpha silicon carbide powder was consolidated by both dry and wet methods. Dry pressing in a double acting steel die yielded sintered test bars with an average flexural strength of 235.6 MPa with a critical flaw size of approximately 100 micro m. An aqueous slurry pressing technique produced sintered test bars with an average flexural strength of 440.8 MPa with a critical flaw size of approximately 25 micro m. Image analysis revealed a reduction in both pore area and pore size distribution in the slurry pressed sintered test bars. The improvements in the slurry pressed material properties are discussed in terms of reduced agglomeration and improved particle packing during consolidation.

New general pore size distribution model by classical thermodynamics application: Activated carbon

USGS Publications Warehouse

Lordgooei, M.; Rood, M.J.; Rostam-Abadi, M.

2001-01-01

A model is developed using classical thermodynamics to characterize pore size distributions (PSDs) of materials containing micropores and mesopores. The thermal equation of equilibrium adsorption (TEEA) is used to provide thermodynamic properties and relate the relative pore filling pressure of vapors to the characteristic pore energies of the adsorbent/adsorbate system for micropore sizes. Pore characteristic energies are calculated by averaging of interaction energies between adsorbate molecules and adsorbent pore walls as well as considering adsorbate-adsorbate interactions. A modified Kelvin equation is used to characterize mesopore sizes by considering variation of the adsorbate surface tension and by excluding the adsorbed film layer for the pore size. The modified-Kelvin equation provides similar pore filling pressures as predicted by density functional theory. Combination of these models provides a complete PSD of the adsorbent for the micropores and mesopores. The resulting PSD is compared with the PSDs from Jaroniec and Choma and Horvath and Kawazoe models as well as a first-order approximation model using Polanyi theory. The major importance of this model is its basis on classical thermodynamic properties, less simplifying assumptions in its derivation compared to other methods, and ease of use.

Scaffold permeability as a means to determine fiber diameter and pore size of electrospun fibrinogen.

PubMed

Sell, Scott; Barnes, Catherine; Simpson, David; Bowlin, Gary

2008-04-01

The purpose of this study was to construct a flowmeter that could accurately measure the hydraulic permeability of electrospun fibrinogen scaffolds, providing insight into the transport properties of electrospun scaffolds while making the measurement of their topographical features (fiber diameter and pore size) more accurate. Three different concentrations of fibrinogen were used (100, 120, and 150 mg/mL) to create scaffolds with three different fiber diameters and pore sizes. The fiber diameters and pore sizes of the electrospun scaffolds were first analyzed with scanning electron microscopy and image analysis software. The permeability of each scaffold was measured with the flowmeter and used to calculate permeability-based fiber diameters and pore sizes, which were compared to values obtained through image analysis. Permeability measurement revealed scaffold permeability to increase with fibrinogen concentration, much like average fiber diameter and pore size. Comparison between the two measurement methods demonstrated the efficacy of the flowmeter as a way to measure scaffold features. Copyright 2007 Wiley Periodicals, Inc.

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.

Liquid Photonic Crystals for Mesopore Detection.

PubMed

Zhu, Biting; Fu, Qianqian; Chen, Ke; Ge, Jianping

2018-01-02

Nitrogen adsorption-desorption for mesopore characterization requires the using of expensive instrumentation, time-consuming processes, and the consumption of liquid nitrogen. Herein, a new method is developed to measure the pore parameters through mixing a mesoporous substance with a supersaturated SiO 2 colloidal solution at different temperatures, and subsequent rapid measurement of reflection changes of the precipitated liquid photonic crystals. The pore volumes and diameters of mesoporous silica were measured according to the positive correlation between unit mass reflection change (Δλ/m) and pore volume (V), and the negative correlation between average absorption temperature (T) and pore diameter (D). This new approach may provide an alternative method for fast, convenient and economical characterization of mesoporous materials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Scaling behavior of knotted random polygons and self-avoiding polygons: Topological swelling with enhanced exponent.

PubMed

Uehara, Erica; Deguchi, Tetsuo

2017-12-07

We show that the average size of self-avoiding polygons (SAPs) with a fixed knot is much larger than that of no topological constraint if the excluded volume is small and the number of segments is large. We call it topological swelling. We argue an "enhancement" of the scaling exponent for random polygons with a fixed knot. We study them systematically through SAP consisting of hard cylindrical segments with various different values of the radius of segments. Here we mean by the average size the mean-square radius of gyration. Furthermore, we show numerically that the topological balance length of a composite knot is given by the sum of those of all constituent prime knots. Here we define the topological balance length of a knot by such a number of segments that topological entropic repulsions are balanced with the knot complexity in the average size. The additivity suggests the local knot picture.

Scaling behavior of knotted random polygons and self-avoiding polygons: Topological swelling with enhanced exponent

NASA Astrophysics Data System (ADS)

Uehara, Erica; Deguchi, Tetsuo

2017-12-01

We show that the average size of self-avoiding polygons (SAPs) with a fixed knot is much larger than that of no topological constraint if the excluded volume is small and the number of segments is large. We call it topological swelling. We argue an "enhancement" of the scaling exponent for random polygons with a fixed knot. We study them systematically through SAP consisting of hard cylindrical segments with various different values of the radius of segments. Here we mean by the average size the mean-square radius of gyration. Furthermore, we show numerically that the topological balance length of a composite knot is given by the sum of those of all constituent prime knots. Here we define the topological balance length of a knot by such a number of segments that topological entropic repulsions are balanced with the knot complexity in the average size. The additivity suggests the local knot picture.

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.

Changes in pore structure of coal caused by coal-to-gas bioconversion

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

Zhang, Rui; Liu, Shimin; Bahadur, Jitendra

Microbial enhanced coalbed methane (ME-CBM) recovery is critically examined as a viable technology for natural gas recovery from coalbed methane (CBM) reservoirs. Since the majority of gas-in-place (GIP) is stored as an adsorbed phase in fine pores of coal matrix, the nano-pore structure directly influences gas storage and transport properties. Only limited studies have quantified the alteration of the nano-pore structure due to ME-CBM treatment. This study examines the evolution of the pore structure using a combination of small angle X-ray scattering (SAXS), low-pressure N 2 and CO 2 adsorption (LPGA) and high-pressure methane adsorption methods. The results show thatmore » the surface fractal dimension decreases for the two bioconverted coals compared to the untreated coal. After bio-treatment, the mesopore surface area and pore volume decrease with the average pore diameter increases, while the micropore surface area increases with pore volume decreases. Both inaccessible meso-/micropore size distributions decrease after bioconversion, while the accessible micropore size distribution increases, making a portion of closed micropore network accessible. In addition, the methane adsorption capacities increase after bio-treatment, which is confirmed by the increase of micropore surface area. A conceptual physical model of methanogenesis is proposed based on the evolution of the pore structure.« less

Changes in pore structure of coal caused by coal-to-gas bioconversion

DOE PAGES

Zhang, Rui; Liu, Shimin; Bahadur, Jitendra; ...

2017-06-19

Microbial enhanced coalbed methane (ME-CBM) recovery is critically examined as a viable technology for natural gas recovery from coalbed methane (CBM) reservoirs. Since the majority of gas-in-place (GIP) is stored as an adsorbed phase in fine pores of coal matrix, the nano-pore structure directly influences gas storage and transport properties. Only limited studies have quantified the alteration of the nano-pore structure due to ME-CBM treatment. This study examines the evolution of the pore structure using a combination of small angle X-ray scattering (SAXS), low-pressure N 2 and CO 2 adsorption (LPGA) and high-pressure methane adsorption methods. The results show thatmore » the surface fractal dimension decreases for the two bioconverted coals compared to the untreated coal. After bio-treatment, the mesopore surface area and pore volume decrease with the average pore diameter increases, while the micropore surface area increases with pore volume decreases. Both inaccessible meso-/micropore size distributions decrease after bioconversion, while the accessible micropore size distribution increases, making a portion of closed micropore network accessible. In addition, the methane adsorption capacities increase after bio-treatment, which is confirmed by the increase of micropore surface area. A conceptual physical model of methanogenesis is proposed based on the evolution of the pore structure.« less

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.

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.

Fabrication of Aluminum Foams with Small Pore Size by Melt Foaming Method

NASA Astrophysics Data System (ADS)

Cheng, Ying; Li, Yanxiang; Chen, Xiang; Shi, Tong; Liu, Zhiyong; Wang, Ningzhen

2017-04-01

This article introduces an improvement to the fabrication of aluminum foams with small pore size by melt foaming method. Before added to the melt, the foaming agent (titanium hydride) was pretreated in two steps. It firstly went through the traditional pre-oxidation treatment, which delayed the decomposition of titanium hydride and made sure the dispersion stage was controllable. Then such pre-oxidized titanium hydride powder was mixed with copper powder in a planetary ball mill. This treatment can not only increase the number of foaming agent particles and make them easier to disperse in the melt, which helps to increase the number of pores, but also reduce the amount of hydrogen released in the foaming stage. Therefore, the pore size could be decreased. Using such a ball-milled foaming agent in melt foaming method, aluminum foams with small pore size (average size of 1.6 mm) were successfully fabricated.

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.

Influence of Survey Length and Radius Size on Grassland Bird Surveys by Point Counts at Williams Lake, British Columbia

Treesearch

Jean-Pierre L. Savard; Tracey D. Hooper

1995-01-01

We examine the effect of survey length and radius on the results of point count surveys for grassland birds at Williams Lake, British Columbia. Four- and 8-minute counts detected on average 68 percent and 85 percent of the number of birds detected during 12-minute counts. The most efficient sampling duration was 4 minutes, as long as travel time between points was...

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

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

Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in neutron irradiated nuclear materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1:0a₀ to 3:3a₀ have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomicmore » level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a₀ by taking the average of the recombination distances from 80 simulation cases. This value agrees well with the experimental estimate. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.« less

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

DOE PAGES

Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

2015-08-04

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in neutron irradiated nuclear materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1:0a₀ to 3:3a₀ have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomicmore » level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a₀ by taking the average of the recombination distances from 80 simulation cases. This value agrees well with the experimental estimate. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.« less

Geometric effects on electrocapillarity in nanochannels with an overlapped electric double layer.

PubMed

Lee, Jung A; Kang, In Seok

2016-10-01

Unsteady filling of electrolyte solution inside a nanochannel by the electrocapillarity effect is studied. The filling rate is predicted as a function of the bulk concentration of the electrolyte, the surface potential (or surface charge density), and the cross sectional shape of the channel. For a nanochannel, the average outward normal stress exerted on the cross section of a channel (P[over ¯]_{zz}^{}) can be regarded as a measure of electrocapillarity and it is the driving force of the flow. This electrocapillarity measure is first analyzed by using the solution of the Poisson-Boltzmann equation. From the analysis, it is found that the results for many different cross sectional shapes can be unified with good accuracy if the hydraulic radius is adopted as the characteristic length scale of the problem. Especially in the case of constant surface potential, for both limits of κh→0 and κh→∞, it can be shown theoretically that the electrocapillarity is independent of the cross sectional shape if the hydraulic radius is the same. In order to analyze the geometric effects more systematically, we consider the regular N-polygons with the same hydraulic radius and the rectangles of different aspect ratios. Washburn's approach is then adopted to predict the filling rate of electrolyte solution inside a nanochannel. It is found that the average filling velocity decreases as N increases in the case of regular N-polygons with the same hydraulic radius. This is because the regular N-polygons of the same hydraulic radius share the same inscribing circle.

The balance between adaptation to catalysts and competition radius shapes the total wealth, time variability and inequality

NASA Astrophysics Data System (ADS)

Davidovich, Hadar; Louzoun, Yoram

2013-05-01

The globalization of modern markets has led to the emergence of competition between producers in ever growing distances. This opens the interesting question in population dynamics of the effect of long-range competition. We here study a model of non-local competition to test the effect of the competition radius on the wealth distribution, using the framework of a stochastic birth-death process, with non-local interactions. We show that this model leads to non-trivial dynamics that can have implications in other domains of physics. Competition is studied in the context of the catalyst induced growth of autocatalytic agents, representing the growth of capital in the presence of investment opportunities. These agents are competing with all other agents in a given radius on growth possibilities. We show that a large scale competition leads to an extreme localization of the agents, where typically a single aggregate of agents can survive within a given competition radius. The survival of these aggregates is determined by the diffusion rates of the agents and the catalysts. For high and low agent diffusion rates, the agent population is always annihilated, while for intermediate diffusion rates, a finite agent population persists. Increasing the catalyst diffusion rate always leads to a decrease in the average agent population density. The extreme localization of the agents leads to the emergence of intermittent fluctuations, when a large aggregate of agents disappear. As the competition radius increases, so does the average agent density and its spatial variance as well as the volatility.

Radiographic Outcomes of Dorsal Distraction Distal Radius Plating for Fractures With Dorsal Marginal Impaction.

PubMed

Huish, Eric G; Coury, John G; Ibrahim, Mohamed A; Trzeciak, Marc A

2017-04-01

The purpose of this study is to compare radiographic outcomes of patients treated with dorsal spanning plates with previously reported normal values of radiographic distal radius anatomy and compare the results with prior publications for both external fixation and internal fixation with volar locked plates. Patients with complex distal radius fractures including dorsal marginal impaction pattern necessitating dorsal distraction plating at the discretion of the senior authors (M.A.T. and M.A.I.) from May 30, 2013, to December 29, 2015, were identified and included in the study. Retrospective chart and radiograph review was performed on 19 patients, 11 male and 8 female, with mean age of 47.83 years (22-82). No patients were excluded from the study. All fractures united prior to plate removal. The average time the plate was in place was 80.5 days (49-129). Follow-up radiographs showed average radial inclination of 20.5° (13.2°-25.5°), radial height of 10.7 mm (7.5-14 mm), ulnar variance of -0.3 mm (-2.1 to 3.1 mm), and volar tilt of 7.9° (-3° to 15°). One patient had intra-articular step-off greater than 2 mm. Dorsal distraction plating of complex distal radius fractures yields good radiographic results with minimal complications. In cases of complex distal radius fractures including dorsal marginal impaction where volar plating is not considered adequate, a dorsal distraction plate should be considered as an alternative to external fixation due to reduced risk for infection and better control of volar tilt.

Membranes with functionalized carbon nanotube pores for selective transport

DOEpatents

Bakajin, Olgica; Noy, Aleksandr; Fornasiero, Francesco; Park, Hyung Gyu; Holt, Jason K; Kim, Sangil

2015-01-27

Provided herein composition and methods for nanoporous membranes comprising single walled, double walled, or multi-walled carbon nanotubes embedded in a matrix material. Average pore size of the carbon nanotube can be 6 nm or less. These membranes are a robust platform for the study of confined molecular transport, with applications in liquid and gas separations and chemical sensing including desalination, dialysis, and fabric formation.

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.

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.

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.

Application of asymmetric flow-field flow fractionation to the characterization of colloidal dispersions undergoing aggregation.

PubMed

Lattuada, Marco; Olivo, Carlos; Gauer, Cornelius; Storti, Giuseppe; Morbidelli, Massimo

2010-05-18

The characterization of complex colloidal dispersions is a relevant and challenging problem in colloidal science. In this work, we show how asymmetric flow-field flow fractionation (AF4) coupled to static light scattering can be used for this purpose. As an example of complex colloidal dispersions, we have chosen two systems undergoing aggregation. The first one is a conventional polystyrene latex undergoing reaction-limited aggregation, which leads to the formation of fractal clusters with well-known structure. The second one is a dispersion of elastomeric colloidal particles made of a polymer with a low glass transition temperature, which undergoes coalescence upon aggregation. Samples are withdrawn during aggregation at fixed times, fractionated with AF4 using a two-angle static light scattering unit as a detector. We have shown that from the analysis of the ratio between the intensities of the scattered light at the two angles the cluster size distribution can be recovered, without any need for calibration based on standard elution times, provided that the geometry and scattering properties of particles and clusters are known. The nonfractionated samples have been characterized also by conventional static and dynamic light scattering to determine their average radius of gyration and hydrodynamic radius. The size distribution of coalescing particles has been investigated also through image analysis of cryo-scanning electron microscopy (SEM) pictures. The average radius of gyration and the average hydrodynamic radius of the nonfractionated samples have been calculated and successfully compared to the values obtained from the size distributions measured by AF4. In addition, the data obtained are also in good agreement with calculations made with population balance equations.

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.

Linking preferred orientations to elastic anisotropy in Muderong Shale, Australia

DOE PAGES

Kanitpanyacharoen, Waruntorn; Vasin, Roman; Wenk, Hans -Rudolf; ...

2015-01-01

The significance of shales as unconventional hydrocarbon reservoirs, nuclear waste repositories, and geological carbon storage has opened new research frontiers in geophysics. Among many of its unique physical properties, elastic anisotropy has long been investigated by both experimental and computational approaches. Here we calculate elastic properties of Cretaceous Muderong Shale from Australia with a self-consistent averaging method based on microstructural information. The volume fraction and crystallographic preferred orientation distributions of constituent minerals are based on synchrotron X-ray diffraction experiments. Aspect ratios of minerals and pores, determined from scanning electron microscopy (SEM), are introduced in the self-consistent averaging. Our analysis suggestsmore » that phyllosilicates (i.e., illite-mica, illite-smectite, kaolinite, and chlorite) are dominant with ~70 vol.%. The shape of clay platelets displays an average aspect ratio of 0.05. These platelets are aligned parallel to the bedding plane with a rather high degree of preferred orientation. The estimated porosity at ambient pressure is ~17 vol.% and is divided into equiaxial pores and flat pores with an average aspect ratio of 0.01. Our model shows results (e.g. at pressure of ~50 MPa with C 11 = 26.3; C 13 =12.5; C 33 = 18.2; C 44 = 2.8; C 66 = 6.8 [GPa]) that compare satisfactorily with values derived from ultrasonic velocity measurements (C 11 = 26.6; C 13 = 16.2; C 33 = 18.3; C 44 = 4.5; C 66 = 8.8 [GPa]), confirming the validity and reliability of our approximations and averaging approach.« less

Uncovering mass segregation with galaxy analogues in dark-matter simulations

NASA Astrophysics Data System (ADS)

Joshi, Gandhali D.; Parker, Laura C.; Wadsley, James

2016-10-01

We investigate mass segregation in group and cluster environments by identifying galaxy analogues in high-resolution dark-matter simulations. Subhaloes identified by the Amiga's Halo Finder (AHF) and ROCKSTAR halo finders have similar mass functions, independent of resolution, but different radial distributions due to significantly different subhalo hierarchies. We propose a simple way to classify subhaloes as galaxy analogues. The radial distributions of galaxy analogues agree well at large halocentric radii for both AHF and ROCKSTAR but disagree near parent halo centres where the phase-space information used by ROCKSTAR is essential. We see clear mass segregation at small radii (within 0.5 rvir) with average galaxy analogue mass decreasing with radius. Beyond the virial radius, we find a mild trend where the average galaxy analogue mass increases with radius. These mass segregation trends are strongest in small groups and dominated by the segregation of low-mass analogues. The lack of mass segregation in massive galaxy analogues suggests that the observed trends are driven by the complex accretion histories of the parent haloes rather than dynamical friction.

Structure formation control of foam concrete

NASA Astrophysics Data System (ADS)

Steshenko, Aleksei; Kudyakov, Aleksander; Konusheva, Viktoriya; Syrkin, Oleg

2017-01-01

The process of predetermined foam concrete structure formation is considered to be a crucial issue from the point of process control and it is currently understudied thus defining the need for additional research. One of the effective ways of structure formation control in naturally hardening foam concrete is reinforcement with dispersed fibers or introduction of plasticizers. The paper aims at studying the patterns of influence of microreinforcing and plasticizing additives on the structure and performance properties of foam concrete. Preparation of foam concrete mix has been conducted using one-step technology. The structure of modified foam concrete has been studied by means of electron microscopy. The cellular structure of foam concrete samples with the additives is homogeneous; the pores are uniformly distributed over the total volume. It has been revealed that introduction of the Neolas 5.2 plasticizer and microreinforcing fibers in the foam concrete mixture in the amount of 0.4 - 0.1 % by weight of cement leads to reduction of the average pore diameter in the range of 45.3 to 30.2 microns and the standard deviation of the pore average diameter from 23.6 to 9.2 in comparison with the sample without additive. Introduction of modifying additives has stimulated formation of a large number of closed pores. Thus porosity of conditionally closed pores has increased from 16.06 % to 34.48 %, which has lead to increase of frost resistance brand of foam concrete from F15 to F50 and to reduction of its water absorption by weight by 20 %.

Analysis and application of classification methods of complex carbonate reservoirs

NASA Astrophysics Data System (ADS)

Li, Xiongyan; Qin, Ruibao; Ping, Haitao; Wei, Dan; Liu, Xiaomei

2018-06-01

There are abundant carbonate reservoirs from the Cenozoic to Mesozoic era in the Middle East. Due to variation in sedimentary environment and diagenetic process of carbonate reservoirs, several porosity types coexist in carbonate reservoirs. As a result, because of the complex lithologies and pore types as well as the impact of microfractures, the pore structure is very complicated. Therefore, it is difficult to accurately calculate the reservoir parameters. In order to accurately evaluate carbonate reservoirs, based on the pore structure evaluation of carbonate reservoirs, the classification methods of carbonate reservoirs are analyzed based on capillary pressure curves and flow units. Based on the capillary pressure curves, although the carbonate reservoirs can be classified, the relationship between porosity and permeability after classification is not ideal. On the basis of the flow units, the high-precision functional relationship between porosity and permeability after classification can be established. Therefore, the carbonate reservoirs can be quantitatively evaluated based on the classification of flow units. In the dolomite reservoirs, the average absolute error of calculated permeability decreases from 15.13 to 7.44 mD. Similarly, the average absolute error of calculated permeability of limestone reservoirs is reduced from 20.33 to 7.37 mD. Only by accurately characterizing pore structures and classifying reservoir types, reservoir parameters could be calculated accurately. Therefore, characterizing pore structures and classifying reservoir types are very important to accurate evaluation of complex carbonate reservoirs in the Middle East.

Neutron Scattering Studies of Liquid on or Confined in Nano- and Mesoporous Carbons, Including Carbide-Derived Carbons

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

Wesolowski, David J

2014-07-01

This project involved the synthesis of microporous graphitic-carbon powders with subnanometer average pore size, and very narrow pore size distributions, and the use of these materials in experimental studies of pore-fluid structure and dynamics. Samples of carbide-derived carbon powder, synthesized by extraction of the metal cations from TiC by a high temperature chlorination process, followed by high temperature vacuum annealing, were prepared by Ranjan Dash and his associates at CRADA partner Y-Carbon, Inc. The resulting material had average pore sizes ranging from 5 to 8 . These powders were used in two experiments conducted by researchers involved in the Energymore » Frontier Research Center Directed by David J. Wesolowski at ORNL, the Fluid Interface Reactions, Structures and Transport (FIRST) Center. FIRST-funded researchers at Drexel University collaborated with scientists at the Paul Scherrer Institute, Switzerland, to measure the expansion and contraction of the microporous carbon particles during charging and discharging of supercapactor electrodes composed of these particles (Hantell et al., 2011, Electrochemistry Communications, v. 13, pp. 1221-1224.) in an electrolyte composed of tetraethylammonium tetrafluoroborate dissolved in acetonitrile. In the second experiment, researchers at Oak Ridge National Laboratory and Drexel University conducted quasielastic neutron scattering studies of the diffusional dynamics of water imbibed into the micropores of the same material (Chathoth et al., 2011, EuroPhysics Journal, v. 95, pp. 56001/1-6). These studies helped to establish the role of pores approaching the size of the solvent and dissolved ions in altering diffusional dynamics, ion transport and physical response of conducting substrates to ion desolvation and entry into subnamometer pores.« less

Paleohydrological methods and some examples from Swedish fluvial environments. II - River meanders.

USGS Publications Warehouse

Williams, G.P.

1984-01-01

Empirical relations are developed between river-meander features and water-discharge characteristics for 19 reaches along Swedish rivers. In these relations, either average channel width or average radius of curvature of meander arcs can be used to estimate average annual peak discharge and average daily discharge. By accepting certain assumptions, the relations can be applied to other meandering Swedish rivers, present or ancient. The Oster-Dalalven River near Mora is used as an example.-Author

Influence of Orientation and Radiative Heat Transfer on Aluminum Foams in Buoyancy-Induced Convection.

PubMed

Billiet, Marijn; De Schampheleire, Sven; Huisseune, Henk; De Paepe, Michel

2015-10-09

Two differently-produced open-cell aluminum foams were compared to a commercially available finned heat sink. Further, an aluminum plate and block were tested as a reference. All heat sinks have the same base plate dimensions of four by six inches. The first foam was made by investment casting of a polyurethane preform and has a porosity of 0.946 and a pore density of 10 pores per linear inch. The second foam is manufactured by casting over a solvable core and has a porosity of 0.85 and a pore density of 2.5 pores per linear inch. The effects of orientation and radiative heat transfer are experimentally investigated. The heat sinks are tested in a vertical and horizontal orientation. The effect of radiative heat transfer is investigated by comparing a painted/anodized heat sink with an untreated one. The heat flux through the heat sink for a certain temperature difference between the environment and the heat sink's base plate is used as the performance indicator. For temperature differences larger than 30 °C, the finned heat sink outperforms the in-house-made aluminum foam heat sink on average by 17%. Furthermore, the in-house-made aluminum foam dissipates on average 12% less heat than the other aluminum foam for a temperature difference larger than 40 °C. By painting/anodizing the heat sinks, the heat transfer rate increased on average by 10% to 50%. Finally, the thermal performance of the horizontal in-house-made aluminum foam heat sink is up to 18% larger than the one of the vertical aluminum foam heat sink.

Pore-scale discretisation limits of multiphase lattice-Boltzmann methods

NASA Astrophysics Data System (ADS)

Li, Z.; Middleton, J.; Varslot, T.; Sheppard, A.

2015-12-01

Lattice-Boltzmann (LB) modeling is a popular method for the numerical solution of the Navier-Stokes equations and several multi-component LB models are widely used to simulate immiscible two-phase fluid flow in porous media. However, there has been relatively little study of the models' ability to make optimal use of 3D imagery by considering the minimum number of grid points that are needed to represent geometric features such as pore throats. This is of critical importance since 3D images of geological samples are a compromise between resolution and field of view. In this work we explore the discretisation limits of LB models, their behavior near these limits, and the consequences of this behavior for simulations of drainage and imbibition. We quantify the performance of two commonly used multiphase LB models: Shan-Chen (SC) and Rothman-Keller (RK) models in a set of tests, including simulations of bubbles in bulk fluid, on flat surfaces, confined in flat/tilted tubes, and fluid invasion into single tubes. Simple geometries like these allow better quantification of model behavior and better understanding of breakdown mechanisms. In bulk fluid, bubble radii less than 2.5 grid units (image voxels) cause numerical instability in SC model; the RK model is stable to a radius of 2.5 units and below, but with poor agreement with the Laplace's law. When confined to a flat duct, the SC model can simulate similar radii to RK model, but with higher interface spurious currents than the RK model and some risk of instability. In tilted ducts with 'staircase' voxel-level roughness, the SC model seems to average the roughness, whereas for RK model only the 'peaks' of the surface are relevant. Overall, our results suggest that LB models can simulate fluid capillary pressure corresponding to interfacial radii of just 1.5 grid units, with the RK model exhibiting significantly better stability.

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

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.

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.

Tidal disruption of fuzzy dark matter subhalo cores

NASA Astrophysics Data System (ADS)

Du, Xiaolong; Schwabe, Bodo; Niemeyer, Jens C.; Bürger, David

2018-03-01

We study tidal stripping of fuzzy dark matter (FDM) subhalo cores using simulations of the Schrödinger-Poisson equations and analyze the dynamics of tidal disruption, highlighting the differences with standard cold dark matter. Mass loss outside of the tidal radius forces the core to relax into a less compact configuration, lowering the tidal radius. As the characteristic radius of a solitonic core scales inversely with its mass, tidal stripping results in a runaway effect and rapid tidal disruption of the core once its central density drops below 4.5 times the average density of the host within the orbital radius. Additionally, we find that the core is deformed into a tidally locked ellipsoid with increasing eccentricities until it is completely disrupted. Using the core mass loss rate, we compute the minimum mass of cores that can survive several orbits for different FDM particle masses and compare it with observed masses of satellite galaxies in the Milky Way.

Ultra-Long Time Dynamics of Contaminant Plume Mixing Induced by Transient Forcing Factors in Geologic Formations

NASA Astrophysics Data System (ADS)

Rajabi, F.; Battiato, I.

2016-12-01

Long term predictions of the impact of anthropogenic stressors on the environment is essential to reduce the risks associated with processes such as CO2 sequestration and nuclear waste storage in the subsurface. On the other hand, transient forcing factors (e.g. time-varying injection or pumping rate) with evolving heterogeneity of time scales spanning from days to years can influence transport phenomena at the pore scale. A comprehensive spatio-temporal prediction of reactive transport in porous media under time-dependent forcing factors for thousands of years requires the formulation of continuum scale models for time-averages. Yet, as every macroscopic model, time-averaged models can loose predictivity and accuracy when certain conditions are violated. This is true whenever lack of temporal and spatial scale separation occurs and it makes the continuum scale equation a poor assumption for the processes at the pore scale. In this work, we consider mass transport of a dissolved species undergoing a heterogeneous reaction and subject to time-varying boundary conditions in a periodic porous medium. By means of homogenization method and asymptotic expansion technique, we derive a macro-time continuum-scale equation as well as expressions for its effective properties. Our analysis demonstrates that the dynamics at the macro-scale is strongly influenced by the interplay between signal frequency at the boundary and transport processes at the pore level. In addition, we provide the conditions under which the space-time averaged equations accurately describe pore-scale processes. To validate our theoretical predictions, we consider a thin fracture with reacting walls and transient boundary conditions at the inlet. Our analysis shows a good agreement between numerical simulations and theoretical predictions. Furthermore, our numerical experiments show that mixing patterns of the contaminant plumes at the pore level strongly depend on the signal frequency.

Pore-scale supercritical CO 2 dissolution and mass transfer under drainage conditions

DOE PAGES

Chang, Chun; Zhou, Quanlin; Oostrom, Mart; ...

2016-12-05

Recently, both core- and pore-scale imbibition experiments have shown non-equilibrium dissolution of supercritical CO 2 (scCO 2) and a prolonged depletion of residual scCO 2. In this paper, pore-scale scCO 2 dissolution and mass transfer under drainage conditions were investigated using a two-dimensional heterogeneous micromodel and a novel fluorescent water dye with a sensitive pH range between 3.7 and 6.5. Drainage experiments were conducted at 9 MPa and 40 °C by injecting scCO 2 into the sandstone-analogue pore network initially saturated by water without dissolved CO 2 (dsCO 2). During the experiments, time-lapse images of dye intensity, reflecting water pH,more » were obtained. These images show non-uniform pH in individual pores and pore clusters, with average pH levels gradually decreasing with time. Further analysis on selected pores and pore clusters shows that (1) rate-limited mass transfer prevails with slowly decreasing pH over time when the scCO 2-water interface area is low with respect to the volume of water-filled pores and pore clusters, (2) fast scCO 2 dissolution and phase equilibrium occurs when scCO 2 bubbles invade into water-filled pores, significantly enhancing the area-to-volume ratio, and (3) a transition from rate-limited to diffusion-limited mass transfer occurs in a single pore when a medium area-to-volume ratio is prevalent. The analysis also shows that two fundamental processes – scCO 2 dissolution at phase interfaces and diffusion of dsCO 2 at the pore scale (10–100 µm) observed after scCO 2 bubble invasion into water-filled pores without pore throat constraints – are relatively fast. The overall slow dissolution of scCO 2 in the millimeter-scale micromodel can be attributed to the small area-to-volume ratios that represent pore-throat configurations and characteristics of phase interfaces. Finally, this finding is applicable for the behavior of dissolution at pore, core, and field scales when water-filled pores and pore clusters of varying size are surrounded by scCO 2 at narrow pore throats.« less

Pore-scale supercritical CO 2 dissolution and mass transfer under drainage conditions

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

Chang, Chun; Zhou, Quanlin; Oostrom, Mart

Recently, both core- and pore-scale imbibition experiments have shown non-equilibrium dissolution of supercritical CO 2 (scCO 2) and a prolonged depletion of residual scCO 2. In this paper, pore-scale scCO 2 dissolution and mass transfer under drainage conditions were investigated using a two-dimensional heterogeneous micromodel and a novel fluorescent water dye with a sensitive pH range between 3.7 and 6.5. Drainage experiments were conducted at 9 MPa and 40 °C by injecting scCO 2 into the sandstone-analogue pore network initially saturated by water without dissolved CO 2 (dsCO 2). During the experiments, time-lapse images of dye intensity, reflecting water pH,more » were obtained. These images show non-uniform pH in individual pores and pore clusters, with average pH levels gradually decreasing with time. Further analysis on selected pores and pore clusters shows that (1) rate-limited mass transfer prevails with slowly decreasing pH over time when the scCO 2-water interface area is low with respect to the volume of water-filled pores and pore clusters, (2) fast scCO 2 dissolution and phase equilibrium occurs when scCO 2 bubbles invade into water-filled pores, significantly enhancing the area-to-volume ratio, and (3) a transition from rate-limited to diffusion-limited mass transfer occurs in a single pore when a medium area-to-volume ratio is prevalent. The analysis also shows that two fundamental processes – scCO 2 dissolution at phase interfaces and diffusion of dsCO 2 at the pore scale (10–100 µm) observed after scCO 2 bubble invasion into water-filled pores without pore throat constraints – are relatively fast. The overall slow dissolution of scCO 2 in the millimeter-scale micromodel can be attributed to the small area-to-volume ratios that represent pore-throat configurations and characteristics of phase interfaces. Finally, this finding is applicable for the behavior of dissolution at pore, core, and field scales when water-filled pores and pore clusters of varying size are surrounded by scCO 2 at narrow pore throats.« less

Pore-scale supercritical CO 2 dissolution and mass transfer under drainage conditions

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

Chang, Chun; Zhou, Quanlin; Oostrom, Mart

Abstract: Recently, both core- and pore-scale imbibition experiments have shown non-equilibrium dissolution of supercritical CO 2 (scCO 2) and a prolonged depletion of residual scCO 2. In this study, pore-scale scCO 2 dissolution and mass transfer under drainage conditions were investigated using a two-dimensional heterogeneous micromodel and a novel fluorescent water dye with a sensitive pH range between 3.7 and 6.5. Drainage experiments were conducted at 9 MPa and 40 °C by injecting scCO 2 into the sandstone-analogue pore network initially saturated by water without dissolved CO 2 (dsCO 2). During the experiments, time-lapse images of dye intensity, reflecting watermore » pH, were obtained. These images show non-uniform pH in individual pores and pore clusters, with average pH levels gradually decreasing with time. Further analysis on selected pores and pore clusters shows that (1) rate-limited mass transfer prevails with slowly decreasing pH over time when the scCO 2-water interface area is low with respect to the volume of water-filled pores and pore clusters, (2) fast scCO 2 dissolution and phase equilibrium occurs when scCO 2 bubbles invade into water-filled pores, significantly enhancing the area-to-volume ratio, and (3) a transition from rate-limited to diffusion-limited mass transfer occurs in a single pore when a medium area-to-volume ratio is prevalent. The analysis also shows that two fundamental processes – scCO 2 dissolution at phase interfaces and diffusion of dsCO 2 at the pore scale (10-100 µm) observed after scCO 2 bubble invasion into water-filled pores without pore throat constraints – are relatively fast. The overall slow dissolution of scCO 2 in the millimeter-scale micromodel can be attributed to the small area-to-volume ratios that represent pore-throat configurations and characteristics of phase interfaces. This finding is applicable for the behavior of dissolution at pore, core, and field scales when water-filled pores and pore clusters of varying size are surrounded by scCO 2 at narrow pore throats.« less

Pore-Scale Determination of Gas Relative Permeability in Hydrate-Bearing Sediments Using X-Ray Computed Micro-Tomography and Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Chen, Xiongyu; Verma, Rahul; Espinoza, D. Nicolas; Prodanović, Maša.

2018-01-01

This work uses X-ray computed micro-tomography (μCT) to monitor xenon hydrate growth in a sandpack under the excess gas condition. The μCT images give pore-scale hydrate distribution and pore habit in space and time. We use the lattice Boltzmann method to calculate gas relative permeability (krg) as a function of hydrate saturation (Shyd) in the pore structure of the experimental hydrate-bearing sand retrieved from μCT data. The results suggest the krg - Shyd data fit well a new model krg = (1-Shyd)·exp(-4.95·Shyd) rather than the simple Corey model. In addition, we calculate krg-Shyd curves using digital models of hydrate-bearing sand based on idealized grain-attaching, coarse pore-filling, and dispersed pore-filling hydrate habits. Our pore-scale measurements and modeling show that the krg-Shyd curves are similar regardless of whether hydrate crystals develop grain-attaching or coarse pore-filling habits. The dispersed pore filling habit exhibits much lower gas relative permeability than the other two, but it is not observed in the experiment and not compatible with Ostwald ripening mechanisms. We find that a single grain-shape factor can be used in the Carman-Kozeny equation to calculate krg-Shyd data with known porosity and average grain diameter, suggesting it is a useful model for hydrate-bearing sand.

Gas hydrate saturations estimated from pore-and fracture-filling gas hydrate reservoirs in the Qilian Mountain permafrost, China.

PubMed

Xiao, Kun; Zou, Changchun; Lu, Zhenquan; Deng, Juzhi

2017-11-24

Accurate calculation of gas hydrate saturation is an important aspect of gas hydrate resource evaluation. The effective medium theory (EMT model), the velocity model based on two-phase medium theory (TPT model), and the two component laminated media model (TCLM model), are adopted to investigate the characteristics of acoustic velocity and gas hydrate saturation of pore- and fracture-filling reservoirs in the Qilian Mountain permafrost, China. The compressional wave (P-wave) velocity simulated by the EMT model is more consistent with actual log data than the TPT model in the pore-filling reservoir. The range of the gas hydrate saturation of the typical pore-filling reservoir in hole DKXX-13 is 13.0~85.0%, and the average value of the gas hydrate saturation is 61.9%, which is in accordance with the results by the standard Archie equation and actual core test. The P-wave phase velocity simulated by the TCLM model can be transformed directly into the P-wave transverse velocity in a fracture-filling reservoir. The range of the gas hydrate saturation of the typical fracture-filling reservoir in hole DKXX-19 is 14.1~89.9%, and the average value of the gas hydrate saturation is 69.4%, which is in accordance with actual core test results.

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).

Evaluation of a High-Resolution Benchtop Micro-CT Scanner for Application in Porous Media Research

NASA Astrophysics Data System (ADS)

Tuller, M.; Vaz, C. M.; Lasso, P. O.; Kulkarni, R.; Ferre, T. A.

2010-12-01

Recent advances in Micro Computed Tomography (MCT) provided the motivation to thoroughly evaluate and optimize scanning, image reconstruction/segmentation and pore-space analysis capabilities of a new generation benchtop MCT scanner and associated software package. To demonstrate applicability to soil research the project was focused on determination of porosities and pore size distributions of two Brazilian Oxisols from segmented MCT-data. Effects of metal filters and various acquisition parameters (e.g. total rotation, rotation step, and radiograph frame averaging) on image quality and acquisition time are evaluated. Impacts of sample size and scanning resolution on CT-derived porosities and pore-size distributions are illustrated.

Fractal Nature of Porosity in Volcanic Tight Reservoirs of the Santanghu Basin and its Relationship to Pore Formation Processes

NASA Astrophysics Data System (ADS)

Wang, Weiming; Wang, Zhixuan; Chen, Xuan; Long, Fei; Lu, Shuangfang; Liu, Guohong; Tian, Weichao; Su, Yue

In this paper, in a case study of Santanghu Basin in China, the morphological characteristics and size distribution of nanoscale pores in the volcanic rocks of the Haerjiawu Formation were investigated using the results of low temperature nitrogen adsorption experiments. This research showed that within the target layer, a large number of nanoscale, eroded pores showed an “ink bottle” morphology with narrow pore mouths and wide bodies. The fractal dimension of pores increases gradually with increasing depth. Moreover, as fractal dimension increases, BET-specific surface area gradually increases, average pore diameter decreases and total pore volume gradually increases. The deeper burial of the Haerjiawu volcanic rocks in the Santanghu Basin leads to more intense erosion by organic acids derived from the basin’s source rocks. Furthermore, the internal surface roughness of these corrosion pores results in poor connectivity. As stated above, the corrosion process is directly related to the organic acids generated by the source rock of the interbedded volcanic rocks. The deeper the reservoir, the more the organic acids being released from the source rock. However, due to the fact that the Haerjiawu volcanic rocks are tight reservoirs and have complicated pore-throat systems, while organic acids dissolve unstable minerals such as feldspars which improve the effective reservoir space; the dissolution of feldspars results in the formation of new minerals, which cannot be expelled from the tight reservoirs. They are instead precipitated in the fine pore throats, thereby reducing pore connectivity, while enhancing reservoir micro-preservation conditions.

Diagenesis and reservoir quality of the Lower Cretaceous Quantou Formation tight sandstones in the southern Songliao Basin, China

NASA Astrophysics Data System (ADS)

Xi, Kelai; Cao, Yingchang; Jahren, Jens; Zhu, Rukai; Bjørlykke, Knut; Haile, Beyene Girma; Zheng, Lijing; Hellevang, Helge

2015-12-01

The Lower Cretaceous Quantou Formation in the southern Songliao Basin is the typical tight oil sandstone in China. For effective exploration, appraisal and production from such a tight oil sandstone, the diagenesis and reservoir quality must be thoroughly studied first. The tight oil sandstone has been examined by a variety of methods, including core and thin section observation, XRD, SEM, CL, fluorescence, electron probing analysis, fluid inclusion and isotope testing and quantitative determination of reservoir properties. The sandstones are mostly lithic arkoses and feldspathic litharenites with fine to medium grain size and moderate to good sorting. The sandstones are dominated by feldspar, quartz, and volcanic rock fragments showing various stages of disintegration. The reservoir properties are quite poor, with low porosity (average 8.54%) and permeability (average 0.493 mD), small pore-throat radius (average 0.206 μm) and high displacement pressure (mostly higher than 1 MPa). The tight sandstone reservoirs have undergone significant diagenetic alterations such as compaction, feldspar dissolution, quartz cementation, carbonate cementation (mainly ferrocalcite and ankerite) and clay mineral alteration. As to the onset time, the oil emplacement was prior to the carbonate cementation but posterior to the quartz cementation and feldspar dissolution. The smectite to illite reaction and pressure solution at stylolites provide a most important silica sources for quartz cementation. Carbonate cements increase towards interbedded mudstones. Mechanical compaction has played a more important role than cementation in destroying the reservoir quality of the K1q4 sandstone reservoirs. Mixed-layer illite/smectite and illite reduced the porosity and permeability significantly, while chlorite preserved the porosity and permeability since it tends to be oil wet so that later carbonate cementation can be inhibited to some extent. It is likely that the oil emplacement occurred later than the tight rock formation (with the porosity close to 10%). However, thicker sandstone bodies (more than 2 m) constitute potential hydrocarbon reservoirs.

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 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.

Visualizing and Quantifying Bioaccessible Pores in Field-Aged Petroleum Hydrocarbon-Contaminated Clay Soils Using Synchrotron-based X-ray Computed Tomography

NASA Astrophysics Data System (ADS)

Chang, W.; Kim, J.; Zhu, N.; McBeth, J. M.

2015-12-01

Microbial hydrocarbon degradation is environmentally significant and applicable to contaminated site remediation practices only when hydrocarbons (substrates) are physically bioaccessible to bacteria in soil matrices. Powerful X-rays are produced by synchrotron radiation, allowing for bioaccessible pores in soil (larger than 4 microns), where bacteria can be accommodated, colonize and remain active, can be visualized at a much higher resolution. This study visualized and quantified such bioaccessible pores in intact field-aged, oil-contaminated unsaturated soil fractions, and examined the relationship between the abundance of bioaccessible pores and hydrocarbon biodegradation. Using synchrotron-based X-ray Computed Tomography (CT) at the Canadian Light Source, a large dataset of soil particle characteristics, such as pore volumes, surface areas, number of pores and pore size distribution, was generated. Duplicate samples of five different soil fractions with different soil aggregate sizes and water contents (13, 18 and 25%) were examined. The method for calculating the number and distribution of bioaccessible pores using CT images was validated using the known porosity of Ottawa sand. This study indicated that the distribution of bioaccessible pore sizes in soil fractions are very closely related to microbial enhancement. A follow-up aerobic biodegradation experiment for the soils at 17 °C (average site temperature) over 90 days confirmed that a notable decrease in hydrocarbon concentrations occurred in soils fractions with abundant bioaccessible pores and with a larger number of pores between 10 and 100 μm. The hydrocarbon degradation in bioactive soil fractions was extended to relatively high-molecular-weight hydrocarbons (C16-C34). This study provides quantitative information about how internal soil pore characteristics can influence bioremediation performance.

3D-HST + CANDELS: the Evolution of the Galaxy Size-mass Distribution Since Z=3

NASA Technical Reports Server (NTRS)

VanDerWel, A.; Franx, M.; vanDokkum, P. G.; Skelton, R. E.; Momcheva, I. G.; Whitaker, K. E.; Brammer, G. B.; Bell, E. F.; Rix, H.-W.; Wuyts, S.;

Determination of size distribution and encapsulation efficiency of liposome-encapsulated hemoglobin blood substitutes using asymmetric flow field-flow fractionation coupled with multi-angle static light scattering.

PubMed

Arifin, Dian R; Palmer, Andre F

2003-01-01

In this study, we investigated the size distribution, encapsulation efficiency, and oxygen affinity of liposome-encapsulated tetrameric hemoglobin (LEHb) dispersions and correlated the data with the variation in extruder membrane pore size, ionic strength of the extrusion buffer, and hemoglobin (Hb) concentration. Asymmetric flow field-flow fractionation (AFFF) in series with multi-angle static light scattering (MASLS) was used to study the LEHb size distribution. We also introduced a novel method to measure the encapsulation efficiency using a differential interferometric refractive index (DIR) detector coupled to the AFFF-MASLS system. This technique was nondestructive toward the sample and easy to implement. LEHbs were prepared by extrusion using a lipid combination of dimyristoyl-phosphatidylcholine, cholesterol, and dimyristoyl-phosphatidylglycerol in a 10:9:1 molar ratio. Five initial Hb concentrations (50, 100, 150, 200, and 300 mg Hb per mL of buffer) extruded through five different membrane pore diameters (400, 200, 100, 80, and 50 nm) were studied. Phosphate buffered saline (PBS) and phosphate buffer (PB) both at pH 7.3 were used as extrusion buffers. Despite the variation, extrusion through 400-nm pore diameter membranes produced LEHbs smaller than the pore size, extrusion through 200-nm membranes produced LEHbs with diameters close to the pore diameter, and extrusion through 100-, 80-, and 50-nm membranes produced LEHbs larger than the pore sizes. We found that the choice of extrusion buffer had the greatest effect on the LEHb size distribution compared to either Hb concentration or extruder membrane pore size. Extrusion in PBS produced larger LEHbs and more monodisperse LEHb dispersions. However, LEHbs extruded in PB generally had higher Hb encapsulation efficiencies and lower methemoglobin (metHb) levels. The choice of extrusion buffer also affected how the encapsulation efficiency correlated with Hb concentration, extruder pore size, and the metHb level. The most optimum encapsulation efficiency and amount of Hb entrapped were achieved at the highest Hb concentration and the largest pore size for both extrusion buffers (62.38% and 187.14 mg Hb/mL of LEHb dispersion extruded in PBS, and 69.98% and 209.94 mg Hb/mL of LEHb dispersion extruded in PB). All LEHbs displayed good oxygen-carrying properties as indicated by their P(50) and cooperativity coefficients. LEHbs extruded in PB had an average P(50) of 23.04 mmHg and an average Hill number of 2.29, and those extruded in PBS had average values of 27.25 mmHg and 2.49. These oxygen-binding properties indicate that LEHbs possess strong potential as artificial blood substitutes. In addition, the metHb levels in PB-LEHb dispersions are significantly low even in the absence of antioxidants such as N-acetyl-L-cysteine.

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.

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.

A Geomagnetic Estimate of Mean Paleointensity

NASA Technical Reports Server (NTRS)

Voorhies, Coerte V.

2004-01-01

To test a statistical hypothesis about Earth's magnetic field against paleomagnetism, the present field is used to estimate time averaged paleointensity. The estimate used the modern magnetic multipole spectrum R(n), which gives the mean square induction represented by spherical harmonics of degree n averaged over the sphere of radius a = 6371.2 km. The hypothesis asserts that low degree multi-pole powers of the coresource field are distributed as chi-squared with 2n+1 degrees of freedom and expectation values, where c is the 3480 km radius of the Earth's core. (This is compatible with a usually mainly geocentric axial dipolar field). Amplitude K is estimated by fitting theoretical to observational spectra through degree 12. The resulting calibrated expectation spectrum is summed through degree 12 to estimate expected square intensity F(exp 2). The sum also estimates F(exp 2) averaged over geologic time, in so far as the present magnetic spectrum is a fair sample of that generated in the past by core geodynamic processes. Additional information is included in the original extended abstract.

Heuristic approach to capillary pressures averaging

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

Coca, B.P.

1980-10-01

Several methods are available to average capillary pressure curves. Among these are the J-curve and regression equations of the wetting-fluid saturation in porosity and permeability (capillary pressure held constant). While the regression equation seem completely empiric, the J-curve method seems to be theoretically sound due to its expression based on a relation between the average capillary radius and the permeability-porosity ratio. An analysis is given of each of these methods.

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.

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.

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.

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

Wardaya, P. D., E-mail: pongga.wardaya@utp.edu.my; Noh, K. A. B. M., E-mail: pongga.wardaya@utp.edu.my; Yusoff, W. I. B. W., E-mail: pongga.wardaya@utp.edu.my

This paper discusses a new approach for investigating the seismic wave velocity of rock, specifically carbonates, as affected by their pore structures. While the conventional routine of seismic velocity measurement highly depends on the extensive laboratory experiment, the proposed approach utilizes the digital rock physics view which lies on the numerical experiment. Thus, instead of using core sample, we use the thin section image of carbonate rock to measure the effective seismic wave velocity when travelling on it. In the numerical experiment, thin section images act as the medium on which wave propagation will be simulated. For the modeling, anmore » advanced technique based on artificial neural network was employed for building the velocity and density profile, replacing image's RGB pixel value with the seismic velocity and density of each rock constituent. Then, ultrasonic wave was simulated to propagate in the thin section image by using finite difference time domain method, based on assumption of an acoustic-isotropic medium. Effective velocities were drawn from the recorded signal and being compared to the velocity modeling from Wyllie time average model and Kuster-Toksoz rock physics model. To perform the modeling, image analysis routines were undertaken for quantifying the pore aspect ratio that is assumed to represent the rocks pore structure. In addition, porosity and mineral fraction required for velocity modeling were also quantified by using integrated neural network and image analysis technique. It was found that the Kuster-Toksoz gives the closer prediction to the measured velocity as compared to the Wyllie time average model. We also conclude that Wyllie time average that does not incorporate the pore structure parameter deviates significantly for samples having more than 40% porosity. Utilizing this approach we found a good agreement between numerical experiment and theoretically derived rock physics model for estimating the effective seismic wave velocity of rock.« less

Influence of Orientation and Radiative Heat Transfer on Aluminum Foams in Buoyancy-Induced Convection

PubMed Central

Billiet, Marijn; De Schampheleire, Sven; Huisseune, Henk; De Paepe, Michel

2015-01-01

Two differently-produced open-cell aluminum foams were compared to a commercially available finned heat sink. Further, an aluminum plate and block were tested as a reference. All heat sinks have the same base plate dimensions of four by six inches. The first foam was made by investment casting of a polyurethane preform and has a porosity of 0.946 and a pore density of 10 pores per linear inch. The second foam is manufactured by casting over a solvable core and has a porosity of 0.85 and a pore density of 2.5 pores per linear inch. The effects of orientation and radiative heat transfer are experimentally investigated. The heat sinks are tested in a vertical and horizontal orientation. The effect of radiative heat transfer is investigated by comparing a painted/anodized heat sink with an untreated one. The heat flux through the heat sink for a certain temperature difference between the environment and the heat sink’s base plate is used as the performance indicator. For temperature differences larger than 30 ∘C, the finned heat sink outperforms the in-house-made aluminum foam heat sink on average by 17%. Furthermore, the in-house-made aluminum foam dissipates on average 12% less heat than the other aluminum foam for a temperature difference larger than 40 ∘C. By painting/anodizing the heat sinks, the heat transfer rate increased on average by 10% to 50%. Finally, the thermal performance of the horizontal in-house-made aluminum foam heat sink is up to 18% larger than the one of the vertical aluminum foam heat sink. PMID:28793601

Evolution of the pore structure during the early stages of the alkali-activation reaction: An in situ small-angle neutron scattering investigation

DOE PAGES

White, Claire E.; Olds, Daniel P.; Hartl, Monika; ...

2017-02-01

The long-term durability of cement-based materials is influenced by the pore structure and associated permeability at the sub-micrometre length scale. With the emergence of new types of sustainable cements in recent decades, there is a pressing need to be able to predict the durability of these new materials, and therefore nondestructive experimental techniques capable of characterizing the evolution of the pore structure are increasingly crucial for investigating cement durability. Here, small-angle neutron scattering is used to analyze the evolution of the pore structure in alkali-activated materials over the initial 24 h of reaction in order to assess the characteristic poremore » sizes that emerge during these short time scales. By using a unified fitting approach for data modeling, information on the pore size and surface roughness is obtained for a variety of precursor chemistries and morphologies (metakaolin- and slag-based pastes). Furthermore, the impact of activator chemistry is elucidatedviathe analysis of pastes synthesized using hydroxide- and silicate-based activators. It is found that the main aspect influencing the size of pores that are accessible using small-angle neutron scattering analysis (approximately 10–500 Å in diameter) is the availability of free silica in the activating solution, which leads to a more refined pore structure with smaller average pore size. Furthermore, as the reaction progresses the gel pores visible using this scattering technique are seen to increase in size.« less

Study on the Adsorption Phenomenon in Shale with the Combination of Molecular Dynamic Simulation and Fractal Analysis

NASA Astrophysics Data System (ADS)

Zhang, Liehui; Li, Jianchao; Jia, Du; Zhao, Yulong; Xie, Chunyu; Tao, Zhengwu

As one of the key status of gas in shale reservoir, adsorption gas accounts for considerable percentage of total gas amount. Due to the complexity and nanostructure of shale gas reservoir, it is very challenging to represent adsorption gas through traditional methods. However, the integration of the fractal theory and molecular dynamics (MD) simulation may provide a new perspective of understanding such nanostructure and the micro-phenomenon happening in it. The key purpose of this paper is to investigate the adsorption phenomenon in shale kerogen. By using MD simulation and grand canonical Monte Carlo (GCMC) algorithm, the adsorption of methane in 2, 5 and 10nm slit-like pores is simulated for different temperature and pressure status. According to the results, the average gas density in smaller pores is higher than that in bigger pores, and multilayer adsorption presents on some areas of pore surfaces. Then, the simulation results are analyzed using the multilayer fractal adsorption model. The analysis indicates that the number of adsorption layer increases with pressure increase: four-layer adsorption presents in 10nm pores while three-layer adsorption shows up in 2nm and 5nm pores due to pore volume limit. Fractal dimension of pore wall surface generated in this study is in the range of 2.31-2.63. Moreover, high temperature could decrease the adsorption behavior in reservoir condition.

Synthesis and characterization of mesoporous ZnS with narrow size distribution of small pores

NASA Astrophysics Data System (ADS)

Nistor, L. C.; Mateescu, C. D.; Birjega, R.; Nistor, S. V.

2008-08-01

Pure, nanocrystalline cubic ZnS forming a stable mesoporous structure was synthesized at room temperature by a non-toxic surfactant-assisted liquid liquid reaction, in the 9.5 10.5 pH range of values. The appearance of an X-ray diffraction (XRD) peak in the region of very small angles (˜ 2°) reveals the presence of a porous material with a narrow pore size distribution, but with an irregular arrangement of the pores, a so-called worm hole or sponge-like material. The analysis of the wide angle XRD diffractograms shows the building blocks to be ZnS nanocrystals with cubic structure and average diameter of 2 nm. Transmission electron microscopy (TEM) investigations confirm the XRD results; ZnS crystallites of 2.5 nm with cubic (blende) structure are the building blocks of the pore walls with pore sizes from 1.9 to 2.5 nm, and a broader size distribution for samples with smaller pores. Textural measurements (N2 adsorption desorption isotherms) confirm the presence of mesoporous ZnS with a narrow range of small pore sizes. The relatively lower surface area of around 100 m2/g is attributed to some remaining organic molecules, which are filling the smallest pores. Their presence, confirmed by IR spectroscopy, seems to be responsible for the high stability of the resulting mesoporous ZnS as well.

A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer.

PubMed

Tieleman, D P; Berendsen, H J

1998-06-01

In this paper we study the properties of pores formed by OmpF porin from Escherichia coli, based on a molecular dynamics simulation of the OmpF trimer, 318 palmitoyl-oleoyl-phosphatidylethanolamine lipids, 27 Na+ ions, and 12,992 water molecules. After equilibration and a nanosecond production run, the OmpF trimer exhibits a C-alpha root mean square deviation from the crystal structure of 0.23 nm and a stable secondary structure. No evidence is found for large-scale motions of the L3 loop. We investigate the pore dimensions, conductance, and the properties of water inside the pore. This water forms a complicated pattern, even when averaged over 1 ns of simulation time. Around the pore constriction zone the water dipoles are highly structured in the plane of the membrane, oriented by the strong transversal electric field. In addition, there is a net orientation along the pore axis pointing from the extracellular to the intracellular side of the bilayer. The diffusion coefficients of water inside the pore are greatly reduced compared to bulk. We compare our results to results from model pores (Breed et al., 1996. Biophys. J. 70:1 643-1 661; Sansom et al. 1997. Biophys. J. 73:2404-241 5) and discuss implications for further theoretical work.

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.

Mesoscopic Ni particles and nanowires by pulsed electrodeposition into porous Si

NASA Astrophysics Data System (ADS)

Michelakaki, E.; Valalaki, K.; G. Nassiopoulou, A.

2013-04-01

We report in this article on the formation of mesoscopic Ni particles and filling of continuous Ni nanowires into porous Si layers of thickness in the range of 0.5-4 μm with anisotropic vertical pores of average diameter in the range of 30-45 nm using pulsed electrodeposition from a Ni salt solution. The effect of pulse duration, number of pulses, and total process time on pore filling was investigated for porous Si with different porosities and porous Si layer thicknesses in the above thickness range. Scanning and transmission electron microscopy were used to characterize the samples. It was found that pore filling starts with Ni nucleation and nanoparticle formation at different points of the pore walls along the whole pore length and continues with nanoparticle coalescence to form continuous Ni nanowires that completely fill the pores. The mechanism involved in pore filling is particle nucleation and diffusion-controlled growth of Ni nanoparticles that coalesce to nanowires. From the beginning of the process, a metal film starts to form on the porous Si surface, and its thickness increases with increasing the process time. However, the presence of this film does not impede further pore filling and nanowire formation into the pores. This supports further the diffusion-controlled growth mechanism. Finally, it was demonstrated that full pore filling and continuous Ni nanowire formation were also achieved under direct current electrodeposition, and the results are quite similar to those obtained with pulsed electrodeposition when the same total deposition time is used in both cases.

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

Corrective osteotomy for combined intra- and extra-articular distal radius malunion.

PubMed

Buijze, Geert A; Prommersberger, Karl-Josef; González Del Pino, Juan; Fernandez, Diego L; Jupiter, Jesse B

2012-10-01

This study evaluated the functional outcome of corrective osteotomy for combined intra- and extra-articular malunions of the distal radius using multiple outcome scores. We evaluated 18 skeletally mature patients at an average of 78 months after corrective osteotomy for a combined intra- and extra-articular malunion of the distal part of the radius. The indication for osteotomy in all patients was the combination of an extra-articular deformity (≥ 15° volar or ≥ 10° dorsal angulation or ≥ 3 mm radial shortening) and intra-articular incongruity of 2 mm or greater (maximum stepoff or gap), as measured on lateral and posteroanterior radiographs. The average interval from the injury to the osteotomy was 9 months. The average maximum stepoff or gap of the articular surface before surgery was 4 mm. All 18 patients healed uneventfully and the final articular incongruity was reduced to 2 mm or less. Final range of motion and grip strength significantly improved, averaging 89% and 84% of the uninjured side and 185% and 241% of the preoperative measures, respectively. The rate of excellent or good results was 72% according to the validated rating system Mayo Modified Wrist Score, and 89% according to the unvalidated system of Gartland and Werley. The mean Disabilities of the Arm, Shoulder, and Hand score was 11, which corresponds to mild perceived disability. Of the 18 cases, 11 normalized upper limb function. Five patients had complications; all were successfully treated. According to the rating system of Knirk and Jupiter, 4 had grade 1 and 1 had grade 2 osteoarthritis of the radiocarpal joint on radiographs. Two of those patients reported occasional mild pain. Radiographic osteoarthritis did not correlate with strength, motion, and wrist scores. Outcomes of corrective osteotomy for combined intra- and extra-articular malunions were comparable to those of osteotomy for isolated intra- and extra-articular malunions. A successful corrective osteotomy for the treatment of complex intra- and extra-articular distal radius malunions can improve wrist function. Therapeutic IV. Copyright © 2012 American Society for Surgery of the Hand. Published by Elsevier Inc. All rights reserved.

Generalized network modeling of capillary-dominated two-phase flow

NASA Astrophysics Data System (ADS)

Raeini, Ali Q.; Bijeljic, Branko; Blunt, Martin J.

2018-02-01

We present a generalized network model for simulating capillary-dominated two-phase flow through porous media at the pore scale. Three-dimensional images of the pore space are discretized using a generalized network—described in a companion paper [A. Q. Raeini, B. Bijeljic, and M. J. Blunt, Phys. Rev. E 96, 013312 (2017), 10.1103/PhysRevE.96.013312]—which comprises pores that are divided into smaller elements called half-throats and subsequently into corners. Half-throats define the connectivity of the network at the coarsest level, connecting each pore to half-throats of its neighboring pores from their narrower ends, while corners define the connectivity of pore crevices. The corners are discretized at different levels for accurate calculation of entry pressures, fluid volumes, and flow conductivities that are obtained using direct simulation of flow on the underlying image. This paper discusses the two-phase flow model that is used to compute the averaged flow properties of the generalized network, including relative permeability and capillary pressure. We validate the model using direct finite-volume two-phase flow simulations on synthetic geometries, and then present a comparison of the model predictions with a conventional pore-network model and experimental measurements of relative permeability in the literature.

Hydrogen Crystallization in Low-Density Aerogels

DOE PAGES

Kucheyev, S. O.; Van Cleve, E.; Johnston, L. T.; ...

2015-03-17

Crystallization of liquids confined in disordered low-density nanoporous scaffolds is poorly understood. Here in this work, we use relaxation calorimetry to study the liquid–solid phase transition of H 2 in a series of silica and carbon (nanotube- and graphene-based) aerogels with porosities ≳94%. Results show that freezing temperatures of H 2 inside all the aerogels studied are depressed but do not follow predictions of the Gibbs–Thomson theory based on average pore diameters measured by conventional gas sorption techniques. Instead, we find that, for each material family investigated, the depression of average freezing temperatures scales linearly with the ratio of themore » internal surface area (measured by gas sorption) and the total pore volume derived from the density of aerogel monoliths. The slope of such linear dependences is, however, different for silica and carbon aerogels, which we attribute to microporosity of carbons and the presence of macropores in silica aerogels. In conclusion, our results have important implications for the analysis of pore size distributions of low-density nanoporous materials and for controlling crystallization of fuel layers in targets for thermonuclear fusion energy applications.« less

Hydrogen crystallization in low-density aerogels.

PubMed

Kucheyev, S O; Van Cleve, E; Johnston, L T; Gammon, S A; Worsley, M A

2015-04-07

Crystallization of liquids confined in disordered low-density nanoporous scaffolds is poorly understood. Here, we use relaxation calorimetry to study the liquid-solid phase transition of H2 in a series of silica and carbon (nanotube- and graphene-based) aerogels with porosities ≳94%. Results show that freezing temperatures of H2 inside all the aerogels studied are depressed but do not follow predictions of the Gibbs-Thomson theory based on average pore diameters measured by conventional gas sorption techniques. Instead, we find that, for each material family investigated, the depression of average freezing temperatures scales linearly with the ratio of the internal surface area (measured by gas sorption) and the total pore volume derived from the density of aerogel monoliths. The slope of such linear dependences is, however, different for silica and carbon aerogels, which we attribute to microporosity of carbons and the presence of macropores in silica aerogels. Our results have important implications for the analysis of pore size distributions of low-density nanoporous materials and for controlling crystallization of fuel layers in targets for thermonuclear fusion energy applications.

Preparation and characterization Al3+-bentonite Turen Malang for esterification fatty acid (palmitic acid, oleic acid and linoleic acid)

NASA Astrophysics Data System (ADS)

Abdulloh, Abdulloh; Aminah, Nanik Siti; Triyono, Mudasir, Trisunaryanti, Wega

2016-03-01

Catalyst preparation and characterization of Al3+-bentonite for esterification of palmitic acid, oleic acid and linoleic acid has been done. Al3+-bentonite catalyst was prepared from natural bentonite of Turen Malang through cation exchange reaction using AlCl3 solution. The catalysts obtained were characterized by XRD, XRF, pyridine-FTIR and surface area analyser using the BET method. Catalyst activity test of Al3+-bentonite for esterification reaction was done at 65°C using molar ratio of metanol-fatty acid of 30:1 and 0.25 g of Al3+-bentonite catalyst for the period of ½, 1, 2, 3, 4 and 5 hours. Based on the characterization results, the Al3+-bentonite Turen Malang catalyst has a d-spacing of 15.63 Ǻ, acid sites of Brönsted and Lewis respectively of 230.79 µmol/g and 99.39 µmol/g, surface area of 507.3 m2/g and the average of radius pore of 20.09 Å. GC-MS analysis results of the oil phase after esterification reaction showed the formation of biodiesel (FAME: Fatty acid methyl ester), namely methyl palmitate, methyl oleate and methyl linoleate. The number of conversions resulted in esterification reaction using Al3+-bentonite Turen Malang catalyst was 74.61%, 37.75%, and 20, 93% for the esterification of palmitic acid, oleic acid and linoleic acid respectively.

Ultrasonic characterization of microstructure in powder metal alloy

NASA Technical Reports Server (NTRS)

Tittmann, B. R.; Ahlberg, L. A.; Fertig, K.

1986-01-01

The ultrasonic wave propagation characteristics were measured for IN-100, a powder metallurgy alloy used for aircraft engine components. This material was as a model system for testing the feasibility of characterizing the microstructure of a variety of inhomogeneous media including powder metals, ceramics, castings and components. The data were obtained for a frequency range from about 2 to 20 MHz and were statistically averaged over numerous volume elements of the samples. Micrographical examination provided size and number distributions for grain and pore structure. The results showed that the predominant source for the ultrasonic attenuation and backscatter was a dense (approx. 100/cubic mm) distribution of small micropores (approx. 10 micron radius). Two samples with different micropore densities were studied in detail to test the feasibility of calculating from observed microstructural parameters the frequency dependence of the microstructural backscatter in the regime for which the wavelength is much larger than the size of the individual scattering centers. Excellent agreement was found between predicted and observed values so as to demonstrate the feasibility of solving the forward problem. The results suggest a way towards the nondestructive detection and characterization of anomalous distributions of micropores when conventional ultrasonic imaging is difficult. The findings are potentially significant toward the application of the early detection of porosity during the materials fabrication process and after manufacturing of potential sites for stress induced void coalescence leading to crack initiation and subsequent failure.

Thermal evolution of plutons: a parameterized approach.

PubMed

Spera, F

1980-01-18

A conservation-of-energy equation has been derived for the spatially averaged magma temperature in a spherical pluton undergoing simultaneous crystallization and both internal (magma) and external (hydrothermal fluid) thermal convection. The model accounts for the dependence of magma viscosity on crystallinity, temperature, and bulk composition; it includes latent heat effects and the effects of different initial water concentrations in the melt and quantitatively considers the role that large volumes of circulatory hydrothermal fluids play in dissipating heat. The nonlinear ordinary differential equation describing these processes has been solved for a variety of magma compositions, initial termperatures, initial crystallinities, volume ratios of hydrothermal fluid to magma, and pluton sizes. These calculations are graphically summarized in plots of the average magma temperature versus time after emplacement. Solidification times, defined as the time necessary for magma to cool from the initial emplacement temperature to the solidus temperature vary as R(1,3), where R is the pluton radius. The solidification time of a pluton with a radius of 1 kilometer is 5 x 10(4) years; for an otherwise identical pluton with a radius of 10 kilometers, the solidification time is approximately 10(6) years. The water content has a marked effect on the solidification time. A granodiorite pluton with a radius of 5 kilometers and either 0.5 or 4 percent (by weight) water cools in 3.3 x 10(5) or 5 x 10(4) years, respectively. Convection solidification times are usually but not always less than conduction cooling times.

Comparison of place attachment influence on the level of happiness of people living near residential parks

NASA Astrophysics Data System (ADS)

Nurhakim, I.; Kurniawan, E. B.; Wardhani, D. K.

2018-05-01

Several studies have shown that living close to a park is associated with high levels of happiness. However, there is a possible difference in the level of happiness between living close to a park (0-400 meters radius) compared to living far from the park (400-1.000 meters radius). Therefore, this study aims to compare the influence of Place Attachment on the level of happiness for people living near a park, especially residential parks in some housing areas in Malang City. Place Attachment in this study defined as a bond between an individual and a particular setting. The study demonstrates a positive influence of Place Attachment on the level of happiness of people living near the park. Respondents who live close to a park (R = 0.441; Happiness Level = 97.8%; Average Happiness = 6.833) tend to have a higher level of happiness compared to respondents who live far from a park (R = 0.326; Happiness Level = 69.9%; average Happiness = 4.148). This result shows the urgency to reconsider the provision standard of residential parks in Indonesia which only suggests one residential park for every 1,000 meters radius.

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.

A depth-averaged debris-flow model that includes the effects of evolving dilatancy: II. Numerical predictions and experimental tests.

USGS Publications Warehouse

George, David L.; Iverson, Richard M.

2014-01-01

We evaluate a new depth-averaged mathematical model that is designed to simulate all stages of debris-flow motion, from initiation to deposition. A companion paper shows how the model’s five governing equations describe simultaneous evolution of flow thickness, solid volume fraction, basal pore-fluid pressure, and two components of flow momentum. Each equation contains a source term that represents the influence of state-dependent granular dilatancy. Here we recapitulate the equations and analyze their eigenstructure to show that they form a hyperbolic system with desirable stability properties. To solve the equations we use a shock-capturing numerical scheme with adaptive mesh refinement, implemented in an open-source software package we call D-Claw. As tests of D-Claw, we compare model output with results from two sets of large-scale debris-flow experiments. One set focuses on flow initiation from landslides triggered by rising pore-water pressures, and the other focuses on downstream flow dynamics, runout, and deposition. D-Claw performs well in predicting evolution of flow speeds, thicknesses, and basal pore-fluid pressures measured in each type of experiment. Computational results illustrate the critical role of dilatancy in linking coevolution of the solid volume fraction and pore-fluid pressure, which mediates basal Coulomb friction and thereby regulates debris-flow dynamics.

[Preparation of nano-nacre artificial bone].

PubMed

Chen, Jian-ting; Tang, Yong-zhi; Zhang, Jian-gang; Wang, Jian-jun; Xiao, Ying

2008-12-01

To assess the improvements in the properties of nano-nacre artificial bone prepared on the basis of nacre/polylactide acid composite artificial bone and its potential for clinical use. The compound of nano-scale nacre powder and poly-D, L-lactide acid (PDLLA) was used to prepare the cylindrical hollow artificial bone, whose properties including raw material powder scale, pore size, porosity and biomechanical characteristics were compared with another artificial bone made of micron-scale nacre powder and PDLLA. Scanning electron microscope showed that the average particle size of the nano-nacre powder was 50.4-/+12.4 nm, and the average pore size of the artificial bone prepared using nano-nacre powder was 215.7-/+77.5 microm, as compared with the particle size of the micron-scale nacre powder of 5.0-/+3.0 microm and the pore size of the resultant artificial bone of 205.1-/+72.0 microm. The porosities of nano-nacre artificial bone and the micron-nacre artificial bone were (65.4-/+2.9)% and (53.4-/+2.2)%, respectively, and the two artificial bones had comparable compressive strength and Young's modulus, but the flexural strength of the nano-nacre artificial bone was lower than that of the micro-nacre artificial bone. The nano-nacre artificial bone allows better biodegradability and possesses appropriate pore size, porosity and biomechanical properties for use as a promising material in bone tissue engineering.

Multiscale modeling of porous ceramics using movable cellular automaton method

NASA Astrophysics Data System (ADS)

Smolin, Alexey Yu.; Smolin, Igor Yu.; Smolina, Irina Yu.

2017-10-01

The paper presents a multiscale model for porous ceramics based on movable cellular automaton method, which is a particle method in novel computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the unique position in space. As a result, we get the average values of Young's modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behavior at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via effective properties determined earliar. If the pore size distribution function of the material has N maxima we need to perform computations for N-1 levels in order to get the properties step by step from the lowest scale up to the macroscale. The proposed approach was applied to modeling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behavior of the model sample at the macroscale.

Pore Water Transport of Enterococci out of Beach Sediments

PubMed Central

Phillips, Matthew C.; Solo-Gabriele, Helena M.; Reniers, Adrianus J. H. M.; Wang, John D.; Kiger, Russell T.; Abdel-Mottaleb, Noha

2011-01-01

Enterococci are used to evaluate the safety of beach waters and studies have identified beach sands as a source of these bacteria. In order to study and quantify the release of microbes from beach sediments, flow column systems were built to evaluate flow of pore water out of beach sediments. Results show a peak in enterococci (average of 10% of the total microbes in core) released from the sand core within one pore water volume followed by a marked decline to below detection. These results indicate that few enterococci are easily removed and that factors other than simple pore water flow control the release of the majority of enterococci within beach sediments. A significantly larger quantity and release of enterococci were observed in cores collected after a significant rain event suggesting the influx of fresh water can alter the release pattern as compared to cores with no antecedent rainfall. PMID:21945015

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).

Scale dependence of entrainment-mixing mechanisms in cumulus clouds

DOE PAGES

Lu, Chunsong; Liu, Yangang; Niu, Shengjie; ...

2014-12-17

This work empirically examines the dependence of entrainment-mixing mechanisms on the averaging scale in cumulus clouds using in situ aircraft observations during the Routine Atmospheric Radiation Measurement Aerial Facility Clouds with Low Optical Water Depths Optical Radiative Observations (RACORO) field campaign. A new measure of homogeneous mixing degree is defined that can encompass all types of mixing mechanisms. Analysis of the dependence of the homogenous mixing degree on the averaging scale shows that, on average, the homogenous mixing degree decreases with increasing averaging scales, suggesting that apparent mixing mechanisms gradually approach from homogeneous mixing to extreme inhomogeneous mixing with increasingmore » scales. The scale dependence can be well quantified by an exponential function, providing first attempt at developing a scale-dependent parameterization for the entrainment-mixing mechanism. The influences of three factors on the scale dependence are further examined: droplet-free filament properties (size and fraction), microphysical properties (mean volume radius and liquid water content of cloud droplet size distributions adjacent to droplet-free filaments), and relative humidity of entrained dry air. It is found that the decreasing rate of homogeneous mixing degree with increasing averaging scales becomes larger with larger droplet-free filament size and fraction, larger mean volume radius and liquid water content, or higher relative humidity. The results underscore the necessity and possibility of considering averaging scale in representation of entrainment-mixing processes in atmospheric models.« less

Characteristics and origin of the relatively high-quality tight reservoir in the Silurian Xiaoheba Formation in the southeastern Sichuan Basin

PubMed Central

Gong, Xiaoxing; Shi, Zejin; Wang, Yong; Tian, Yaming; Li, Wenjie; Liu, Lei

2017-01-01

A mature understanding of the sandstone gas reservoir in the Xiaoheba Formation in the southeastern Sichuan Basin remains lacking. To assess the reservoir characteristics and the origin of the high-quality reservoir in the Xiaoheba Formation, this paper uses systematic field investigations, physical property analysis, thin section identification, scanning electron microscopy and electron microprobe methods. The results indicate that the Xiaoheba sandstone is an ultra-tight and ultra-low permeability reservoir, with an average porosity of 2.97% and an average permeability of 0.56×10−3 μm2. This promising reservoir is mainly distributed in the Lengshuixi and Shuangliuba regions and the latter has a relatively high-quality reservoir with an average porosity of 5.28% and average permeability of 0.53×10−3 μm2. The reservoir space comprises secondary intergranular dissolved pores, moldic pores and fractures. Microfacies, feldspar dissolution and fracture connectivity control the quality of this reservoir. The relatively weak compaction and cementation in the interbedded delta front distal bar and interdistributary bay microfacies indirectly protected the primary intergranular pores and enhanced late-stage dissolution. Late-stage potassium feldspar dissolution was controlled by the early-stage organic acid dissolution intensity and the distance from the hydrocarbon generation center. Early-stage fractures acted as pathways for organic acid migration and were therefore important factors in the formation of the reservoir. Based on these observations, the area to the west of the Shuangliuba and Lengshuixi regions has potential for gas exploration. PMID:28686735

Gyrokinetic water-bag modeling of a plasma column: Magnetic moment distribution and finite Larmor radius effects

NASA Astrophysics Data System (ADS)

Klein, R.; Gravier, E.; Morel, P.; Besse, N.; Bertrand, P.

2009-08-01

Describing turbulent transport in fusion plasmas is a major concern in magnetic confinement fusion. It is now widely known that kinetic and fluid descriptions can lead to significantly different properties. Although more accurate, the kinetic calculation of turbulent transport is much more demanding of computer resources than fluid simulations. An alternative approach is based on a water-bag representation of the distribution function that is not an approximation but rather a special class of initial conditions, allowing one to reduce the full kinetic Vlasov equation into a set of hydrodynamics equations while keeping its kinetic character [P. Morel, E. Gravier, N. Besse et al., Phys. Plasmas 14, 112109 (2007)]. In this paper, the water-bag concept is used in a gyrokinetic context to study finite Larmor radius effects with the possibility of using the full Larmor radius distribution instead of an averaged Larmor radius. The resulting model is used to study the ion temperature gradient (ITG) instability.

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.

Flame speed and self-similar propagation of expanding turbulent premixed flames.

PubMed

Chaudhuri, Swetaprovo; Wu, Fujia; Zhu, Delin; Law, Chung K

2012-01-27

In this Letter we present turbulent flame speeds and their scaling from experimental measurements on constant-pressure, unity Lewis number expanding turbulent flames, propagating in nearly homogeneous isotropic turbulence in a dual-chamber, fan-stirred vessel. It is found that the normalized turbulent flame speed as a function of the average radius scales as a turbulent Reynolds number to the one-half power, where the average radius is the length scale and the thermal diffusivity is the transport property, thus showing self-similar propagation. Utilizing this dependence it is found that the turbulent flame speeds from the present expanding flames and those from the Bunsen geometry in the literature can be unified by a turbulent Reynolds number based on flame length scales using recent theoretical results obtained by spectral closure of the transformed G equation.

Flame Speed and Self-Similar Propagation of Expanding Turbulent Premixed Flames

NASA Astrophysics Data System (ADS)

Chaudhuri, Swetaprovo; Wu, Fujia; Zhu, Delin; Law, Chung K.

2012-01-01

In this Letter we present turbulent flame speeds and their scaling from experimental measurements on constant-pressure, unity Lewis number expanding turbulent flames, propagating in nearly homogeneous isotropic turbulence in a dual-chamber, fan-stirred vessel. It is found that the normalized turbulent flame speed as a function of the average radius scales as a turbulent Reynolds number to the one-half power, where the average radius is the length scale and the thermal diffusivity is the transport property, thus showing self-similar propagation. Utilizing this dependence it is found that the turbulent flame speeds from the present expanding flames and those from the Bunsen geometry in the literature can be unified by a turbulent Reynolds number based on flame length scales using recent theoretical results obtained by spectral closure of the transformed G equation.

Imperfection sensitivity of pressured buckling of biopolymer spherical shells

NASA Astrophysics Data System (ADS)

Zhang, Lei; Ru, C. Q.

2016-06-01

Imperfection sensitivity is essential for mechanical behavior of biopolymer shells [such as ultrasound contrast agents (UCAs) and spherical viruses] characterized by high geometric heterogeneity. In this work, an imperfection sensitivity analysis is conducted based on a refined shell model recently developed for spherical biopolymer shells of high structural heterogeneity and thickness nonuniformity. The influence of related parameters (including the ratio of radius to average shell thickness, the ratio of transverse shear modulus to in-plane shear modulus, and the ratio of effective bending thickness to average shell thickness) on imperfection sensitivity is examined for pressured buckling. Our results show that the ratio of effective bending thickness to average shell thickness has a major effect on the imperfection sensitivity, while the effect of the ratio of transverse shear modulus to in-plane shear modulus is usually negligible. For example, with physically realistic parameters for typical imperfect spherical biopolymer shells, the present model predicts that actual maximum external pressure could be reduced to as low as 60% of that of a perfect UCA spherical shell or 55%-65% of that of a perfect spherical virus shell, respectively. The moderate imperfection sensitivity of spherical biopolymer shells with physically realistic imperfection is largely attributed to the fact that biopolymer shells are relatively thicker (defined by smaller radius-to-thickness ratio) and therefore practically realistic imperfection amplitude normalized by thickness is very small as compared to that of classical elastic thin shells which have much larger radius-to-thickness ratio.

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.

Stick-Jump (SJ) Evaporation of Strongly Pinned Nanoliter Volume Sessile Water Droplets on Quick Drying, Micropatterned Surfaces.

PubMed

Debuisson, Damien; Merlen, Alain; Senez, Vincent; Arscott, Steve

2016-03-22

We present an experimental study of stick-jump (SJ) evaporation of strongly pinned nanoliter volume sessile water droplets drying on micropatterned surfaces. The evaporation is studied on surfaces composed of photolithographically micropatterned negative photoresist (SU-8). The micropatterning of the SU-8 enables circular, smooth, trough-like features to be formed which causes a very strong pinning of the three phase (liquid-vapor-solid) contact line of an evaporating droplet. This is ideal for studying SJ evaporation as it contains sequential constant contact radius (CCR) evaporation phases during droplet evaporation. The evaporation was studied in nonconfined conditions, and forced convection was not used. Micropatterned concentric circles were defined having an initial radius of 1000 μm decreasing by a spacing ranging from 500 to 50 μm. The droplet evaporates, successively pinning and depinning from circle to circle. For each pinning radius, the droplet contact angle and volume are observed to decrease quasi-linearly with time. The experimental average evaporation rates were found to decrease with decreasing pining radii. In contrast, the experimental average evaporation flux is found to increase with decreasing droplet radii. The data also demonstrate the influence of the initial contact angle on evaporation rate and flux. The data indicate that the total evaporation time of a droplet depends on the specific micropattern spacing and that the total evaporation time on micropatterned surfaces is always less than on flat, homogeneous surfaces. Although the surface patterning is observed to have little effect on the average droplet flux-indicating that the underlying evaporation physics is not significantly changed by the patterning-the total evaporation time is considerably modified by patterning, up to a factor or almost 2 compared to evaporation on a flat, homogeneous surface. The closely spaced concentric circle pinning maintains a large droplet radius and small contact angle from jump to jump; the result is a large evaporation rate leading to faster evaporation.

SURGICAL TREATMENT OF DISTAL RADIUS FRACTURES WITH A VOLAR LOCKED PLATE: CORRELATION OF CLINICAL AND RADIOGRAPHIC RESULTS

PubMed Central

Xavier, Claudio Roberto Martins; Dal Molin, Danilo Canesin; dos Santos, Rafael Mota Marins; dos Santos, Roberto Della Torre; Neto, Julio Cezar Ferreira

2015-01-01

Objectives: To analyze and correlate the clinical and radiographic results from patients with distal radius fractures who underwent surgical treatment with a fixed-angle volar locked plate. Methods: Sixty-four patients with distal radius fractures were evaluated. They all underwent surgical treatment with a volar locked plate for the distal radius, with a minimum of six months of postoperative follow-up. They underwent a physical examination that measured range of motion and grip strength, answered the Disabilities of the Arm, Shoulder, and Hand (DASH) questionnaire and underwent radiographic examination. Results: In the physical examination on the patients, all the range-of-motion measurements were reduced. Grip strength measured in kgf was on average 85.8% of the strength on the unaffected side. The mean DASH score was 15.99. A significant relationship was found between lower DASH scores and losses of extension and grip strength. On the radiographs, the mean values in relation to the unfractured side were 84.0% for radial inclination, 85.4% for radial length and 86.8% for volar deviation of the radius. Loss of radial length was correlated with losses of extension and grip strength. PMID:27027046

Pole-strength of the earth from Magsat and magnetic determination of the core radius

NASA Technical Reports Server (NTRS)

Voorhies, G. V.; Benton, E. R.

1982-01-01

A model based on two days of Magsat data is used to numerically evaluate the unsigned magnetic flux linking the earth's surface, and a comparison of the 16.054 GWb value calculated with values from earlier geomagnetic field models reveals a smooth, monotonic, and recently-accelerating decrease in the earth's pole strength at a 50-year average rate of 8.3 MWb, or 0.052%/year. Hide's (1978) magnetic technique for determining the radius of the earth's electrically-conducting core is tested by (1) extrapolating main field models for 1960 and 1965 downward through the nearly-insulating mantle, and then separately comparing them to equivalent, extrapolated models of Magsat data. The two unsigned fluxes are found to equal the Magsat values at a radius which is within 2% of the core radius; and (2) the 1960 main field and secular variation and acceleration coefficients are used to derive models of 1930, 1940 and 1950. The same core magnetic radius value, within 2% of the seismic value, is obtained. It is concluded that the mantle is a nearly-perfect insulator, while the core is a perfect conductor, on the decade time scale.

Testing the white dwarf mass-radius relationship with eclipsing binaries

NASA Astrophysics Data System (ADS)

Parsons, S. G.; Gänsicke, B. T.; Marsh, T. R.; Ashley, R. P.; Bours, M. C. P.; Breedt, E.; Burleigh, M. R.; Copperwheat, C. M.; Dhillon, V. S.; Green, M.; Hardy, L. K.; Hermes, J. J.; Irawati, P.; Kerry, P.; Littlefair, S. P.; McAllister, M. J.; Rattanasoon, S.; Rebassa-Mansergas, A.; Sahman, D. I.; Schreiber, M. R.

2017-10-01

We present high-precision, model-independent, mass and radius measurements for 16 white dwarfs in detached eclipsing binaries and combine these with previously published data to test the theoretical white dwarf mass-radius relationship. We reach a mean precision of 2.4 per cent in mass and 2.7 per cent in radius, with our best measurements reaching a precision of 0.3 per cent in mass and 0.5 per cent in radius. We find excellent agreement between the measured and predicted radii across a wide range of masses and temperatures. We also find the radii of all white dwarfs with masses less than 0.48 M⊙ to be fully consistent with helium core models, but they are on average 9 per cent larger than those of carbon-oxygen core models. In contrast, white dwarfs with masses larger than 0.52 M⊙ all have radii consistent with carbon-oxygen core models. Moreover, we find that all but one of the white dwarfs in our sample have radii consistent with possessing thick surface hydrogen envelopes (10-5 ≥ MH/MWD ≥ 10-4), implying that the surface hydrogen layers of these white dwarfs are not obviously affected by common envelope evolution.

SU-F-I-01: Normalized Mean Glandular Dose Values for Dedicated Breast CT Using Realistic Breast-Shaped Phantoms

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

Hernandez, A; Boone, J

Purpose: To estimate normalized mean glandular dose values for dedicated breast CT (DgN-CT) using breast CT-derived phantoms and compare to estimations using cylindrical phantoms. Methods: Segmented breast CT (bCT) volume data sets (N=219) were used to measure effective diameter profiles and were grouped into quintiles by volume. The profiles were averaged within each quintile to represent the range of breast sizes found clinically. These profiles were then used to generate five voxelized computational phantoms (V1, V2, V3, V4, V5 for the small to large phantom sizes, respectively), and loaded into the MCNP6 lattice geometry to simulate normalized mean glandular dosemore » coefficients (DgN-CT) using the system specifications of the Doheny-prototype bCT scanner in our laboratory. The DgN-CT coefficients derived from the bCT-derived breast-shaped phantoms were compared to those generated using a simpler cylindrical phantom using a constant volume, and the following constraints: (1) Length=1.5*radius; (2) radius determined at chest wall (Rcw), and (3) radius determined at the phantom center-of-mass (Rcm). Results: The change in Dg-NCT coefficients averaged across all phantom sizes, was - 0.5%, 19.8%, and 1.3%, for constraints 1–3, respectively. This suggests that the cylindrical assumption is a good approximation if the radius is taken at the breast center-of-mass, but using the radius at the chest wall results in an underestimation of the glandular dose. Conclusion: The DgN-CT coefficients for bCT-derived phantoms were compared against the assumption of a cylindrical phantom and proved to be essentially equivalent when the cylinder radius was set to r=1.5/L or Rcm. While this suggests that for dosimetry applications a patient’s breast can be approximated as a cylinder (if the correct radius is applied), this assumes a homogenous composition of breast tissue and the results may be different if the realistic heterogeneous distribution of glandular tissue is considered. Research reported in this paper was supported in part by the National Cancer Institute of the National Institutes of Health under award R01CA181081. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institue of Health.« less

Hydraulic conductivity of variably saturated porous media: Film and corner flow in angular pore space

NASA Astrophysics Data System (ADS)

Tuller, Markus; Or, Dani

2001-05-01

Many models for hydraulic conductivity of partially saturated porous media rely on oversimplified representation of the pore space as a bundle of cylindrical capillaries and disregard flow in liquid films. Recent progress in modeling liquid behavior in angular pores of partially saturated porous media offers an alternative framework. We assume that equilibrium liquid-vapor interfaces provide well-defined and stable boundaries for slow laminar film and corner flow regimes in pore space comprised of angular pores connected to slit-shaped spaces. Knowledge of liquid configuration in the assumed geometry facilitates calculation of average liquid velocities in films and corners and enables derivation of pore-scale hydraulic conductivity as a function of matric potential. The pore-scale model is statistically upscaled to represent hydraulic conductivity for a sample of porous medium. Model parameters for the analytical sample-scale expressions are estimated from measured liquid retention data and other measurable medium properties. Model calculations illustrate the important role of film flow, whose contribution dominates capillary flow (in full pores and corners) at relatively high matric potentials (approximately -100 to -300 J kg-1, or -1 to 3 bars). The crossover region between film and capillary flow is marked by a significant change in the slope of the hydraulic conductivity function as often observed in measurements. Model predictions are compared with the widely applied van Genuchten-Mualem model and yield reasonable agreement with measured retention and hydraulic conductivity data over a wide range of soil textural classes.

Molecular mechanism for lipid flip-flops.

PubMed

Gurtovenko, Andrey A; Vattulainen, Ilpo

2007-12-06

Transmembrane lipid translocation (flip-flop) processes are involved in a variety of properties and functions of cell membranes, such as membrane asymmetry and programmed cell death. Yet, flip-flops are one of the least understood dynamical processes in membranes. In this work, we elucidate the molecular mechanism of pore-mediated transmembrane lipid translocation (flip-flop) acquired from extensive atomistic molecular dynamics simulations. On the basis of 50 successful flip-flop events resolved in atomic detail, we demonstrate that lipid flip-flops may spontaneously occur in protein-free phospholipid membranes under physiological conditions through transient water pores on a time scale of tens of nanoseconds. While the formation of a water pore is induced here by a transmembrane ion density gradient, the particular way by which the pore is formed is irrelevant for the reported flip-flop mechanism: the appearance of a transient pore (defect) in the membrane inevitably leads to diffusive translocation of lipids through the pore, which is driven by thermal fluctuations. Our findings strongly support the idea that the formation of membrane defects in terms of water pores is the rate-limiting step in the process of transmembrane lipid flip-flop, which, on average, requires several hours. The findings are consistent with available experimental and computational data and provide a view to interpret experimental observations. For example, the simulation results provide a molecular-level explanation in terms of pores for the experimentally observed fact that the exposure of lipid membranes to electric field pulses considerably reduces the time required for lipid flip-flops.

Multinuclear NMR studies of single lipid bilayers supported in cylindrical aluminum oxide nanopores.

PubMed

Gaede, Holly C; Luckett, Keith M; Polozov, Ivan V; Gawrisch, Klaus

2004-08-31

Lipid bilayers were deposited inside the 0.2 microm pores of anodic aluminum oxide (AAO) filters by extrusion of multilamellar liposomes and their properties studied by 2H, 31P, and 1H solid-state NMR. Only the first bilayer adhered strongly to the inner surface of the pores. Additional layers were washed out easily by a flow of water as demonstrated by 1H magic angle spinning NMR experiments with addition of Pr3+ ions to shift accessible lipid headgroup resonances. A 13 mm diameter Anopore filter of 60 microm thickness oriented approximately 2.5 x 10(-7) mol of lipid as a single bilayer, corresponding to a total membrane area of about 500 cm2. The 2H NMR spectra of chain deuterated POPC are consistent with adsorption of wavy, tubular bilayers to the inner pore surface. By NMR diffusion experiments, we determined the average length of those lipid tubules to be approximately 0.4 microm. There is evidence for a thick water layer between lipid tubules and the pore surface. The ends of tubules are well sealed against the pore such that Pr3+ ions cannot penetrate into the water underneath the bilayers. We successfully trapped poly(ethylene glycol) (PEG) with a molecular weight of 8000 in this water layer. From the quantity of trapped PEG, we calculated an average water layer thickness of 3 nm. Lipid order parameters and motional properties are unperturbed by the solid support, in agreement with existence of a water layer. Such unperturbed, solid supported membranes are ideal for incorporation of membrane-spanning proteins with large intra- and extracellular domains. The experiments suggest the promise of such porous filters as membrane support in biosensors.

Transport of human adenoviruses in porous media

NASA Astrophysics Data System (ADS)

Kokkinos, Petros; Syngouna, Vasiliki I.; Tselepi, Maria A.; Bellou, Maria; Chrysikopoulos, Constantinos V.; Vantarakis, Apostolos

2015-04-01

Groundwater may be contaminated with infective human enteric viruses from various wastewater discharges, sanitary landfills, septic tanks, agricultural practices, and artificial groundwater recharge. Coliphages have been widely used as surrogates of enteric viruses, because they share many fundamental properties and features. Although a large number of studies focusing on various factors (i.e. pore water solution chemistry, fluid velocity, moisture content, temperature, and grain size) that affect biocolloid (bacteria, viruses) transport have been published over the past two decades, little attention has been given toward human adenoviruses (hAdVs). The main objective of this study was to evaluate the effect of pore water velocity on hAdV transport in water saturated laboratory-scale columns packed with glass beads. The effects of pore water velocity on virus transport and retention in porous media was examined at three pore water velocities (0.39, 0.75, and 1.22 cm/min). The results indicated that all estimated average mass recovery values for hAdV were lower than those of coliphages, which were previously reported in the literature by others for experiments conducted under similar experimental conditions. However, no obvious relationship between hAdV mass recovery and water velocity could be established from the experimental results. The collision efficiencies were quantified using the classical colloid filtration theory. Average collision efficiency, α, values decreased with decreasing flow rate, Q, and pore water velocity, U, but no significant effect of U on α was observed. Furthermore, the surface properties of viruses and glass beads were used to construct classical DLVO potential energy profiles. The results revealed that the experimental conditions of this study were unfavorable to deposition and that no aggregation between virus particles is expected to occur. A thorough understanding of the key processes governing virus transport is pivotal for public health protection.

Foveal Curvature and Asymmetry Assessed Using Optical Coherence Tomography.

PubMed

VanNasdale, Dean A; Eilerman, Amanda; Zimmerman, Aaron; Lai, Nicky; Ramsey, Keith; Sinnott, Loraine T

2017-06-01

The aims of this study were to use cross-sectional optical coherence tomography imaging and custom curve fitting software to evaluate and model the foveal curvature as a spherical surface and to compare the radius of curvature in the horizontal and vertical meridians and test the sensitivity of this technique to anticipated meridional differences. Six 30-degree foveal-centered radial optical coherence tomography cross-section scans were acquired in the right eye of 20 clinically normal subjects. Cross sections were manually segmented, and custom curve fitting software was used to determine foveal pit radius of curvature using the central 500, 1000, and 1500 μm of the foveal contour. Radius of curvature was compared across different fitting distances. Root mean square error was used to determine goodness of fit. The radius of curvature was compared between the horizontal and vertical meridians for each fitting distance. There radius of curvature was significantly different when comparing each of the three fitting distances (P < .01 for each comparison). The average radii of curvature were 970 μm (95% confidence interval [CI], 913 to 1028 μm), 1386 μm (95% CI, 1339 to 1439 μm), and 2121 μm (95% CI, 2066 to 2183) for the 500-, 1000-, and 1500-μm fitting distances, respectively. Root mean square error was also significantly different when comparing each fitting distance (P < .01 for each comparison). The average root mean square errors were 2.48 μm (95% CI, 2.41 to 2.53 μm), 6.22 μm (95% CI, 5.77 to 6.60 μm), and 13.82 μm (95% CI, 12.93 to 14.58 μm) for the 500-, 1000-, and 1500-μm fitting distances, respectively. The radius of curvature between the horizontal and vertical meridian radii was statistically different only in the 1000- and 1500-μm fitting distances (P < .01 for each), with the horizontal meridian being flatter than the vertical. The foveal contour can be modeled as a sphere with low curve fitting error over a limited distance and capable of detecting subtle foveal contour differences between meridians.

Polar organic compounds in pore waters of the Chesapeake Bay impact structure, Eyreville core hole: Character of the dissolved organic carbon and comparison with drilling fluids

USGS Publications Warehouse

Rostad, C.E.; Sanford, W.E.

2009-01-01

Pore waters from the Chesapeake Bay impact structure cores recovered at Eyreville Farm, Northampton County, Virginia, were analyzed to characterize the dissolved organic carbon. After squeezing or centrifuging, a small volume of pore water, 100 ??L, was taken for analysis by electrospray ionization-mass spectrometry. Porewater samples were analyzed directly without filtration or fractionation, in positive and negative mode, for polar organic compounds. Spectra in both modes were dominated by low-molecular-weight ions. Negative mode had clusters of ions differing by -60 daltons, possibly due to increasing concentrations of inorganic salts. The numberaverage molecular weight and weight-average molecular weight values for the pore waters from the Chesapeake Bay impact structure are higher than those reported for other aquatic sources of natural dissolved organic carbon as determined by electrospray ionization-mass spectrometry. In order to address the question of whether drilling mud fluids may have contaminated the pore waters during sample collection, spectra from the pore waters were compared to spectra from drilling mud fluids. Ions indicative of drilling mud fluids were not found in spectra from the pore waters, indicating there was no detectable contamination, and highlighting the usefulness of this analytical technique for detecting potential contamination during sample collection. ?? 2009 The Geological Society of America.

Side chain flexibility and the pore dimensions in the GABAA receptor

NASA Astrophysics Data System (ADS)

Rossokhin, Alexey V.; Zhorov, Boris S.

2016-07-01

Permeation of ions through open channels and their accessibility to pore-targeting drugs depend on the pore cross-sectional dimensions, which are known only for static X-ray and cryo-EM structures. Here, we have built homology models of the closed, open and desensitized α1β2γ2 GABAA receptor (GABAAR). The models are based, respectively, on the X-ray structure of α3 glycine receptor (α3 GlyR), cryo-EM structure of α1 GlyR and X-ray structure of β3 GABAAR. We employed Monte Carlo energy minimizations to explore how the pore lumen may increase due to repulsions of flexible side chains from a variable-diameter electroneutral atom (an expanding sphere) pulled through the pore. The expanding sphere computations predicted that the pore diameter averaged along the permeation pathway is larger by approximately 3 Å than that computed for the models with fixed sidechains. Our models predict three major pore constrictions located at the levels of -2', 9' and 20' residues. Residues around the -2' and 9' rings are known to form the desensitization and activation gates of GABAAR. Our computations predict that the 20' ring may also serve as GABAAR gate whose physiological role is unclear. The side chain flexibility of residues -2', 9' and 20' and hence the dimensions of the constrictions depend on the GABAAR functional state.

Measuring temporal variability in pore-fluid chemistry to assess gas hydrate stability: development of a continuous pore-fluid array.

PubMed

Lapham, Laura L; Chanton, Jeffrey P; Martens, Christopher S; Higley, Paul D; Jannasch, Hans W; Woolsey, J Robert

2008-10-01

A specialized pore-fluid array (PFA) sampler was designed to collect and store pore fluids to monitor temporal changes of ions and gases in gas hydrate bearing sediments. We tested the hypothesis that pore-fluid chemistry records hydrate formation or decomposition events and reflects local seismic activity. The PFA is a seafloor probe that consists of an interchangeable instrument package that houses OsmoSamplers, long-term pore-fluid samplers, a specialized low-dead volume fluid coupler, and eight sample ports along a 10 m sediment probe shaft. The PFA was deployed at Mississippi Canyon 118, a Gulf of Mexico hydrate site. A 170 day record was acquired from the overlying water and 1.3 m below seafloor (mbsf). Fluids were measured for dissolved chloride, sulfate, and methane concentrations and dissolved inorganic carbon and methane stable carbon and deuterium isotope ratios. Chloride and sulfate did not change significantly over time, suggesting the absence of gas hydrate formation or decomposition events. Over the temporal record, methane concentrations averaged 4 mM at 1.3 mbsf, and methane was thermogenic in origin (delta13C-CH4 = -32.4 +/- 3.4 per thousand). The timing of an anomalous 14 mM methane spike coincided with a nearby earthquake (Mw = 5.8), consistent with the hypothesis that pore-fluid chemistry reflects seismic events.

Pore- and micro-structural characterization of a novel structural binder based on iron carbonation

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

Das, Sumanta, E-mail: Sumanta.Das@asu.edu; Stone, David, E-mail: dajstone@gmail.com; Convey, Diana, E-mail: Diana.Convey@asu.edu

2014-12-15

The pore- and micro-structural features of a novel binding material based on the carbonation of waste metallic iron powder are reported in this paper. The binder contains metallic iron powder as the major ingredient, followed by additives containing silica and alumina to facilitate favorable reaction product formation. Compressive strengths sufficient for a majority of concrete applications are attained. The material pore structure is investigated primarily through mercury intrusion porosimetry whereas electron microscopy is used for microstructural characterization. Reduction in the overall porosity and the average pore size with an increase in carbonation duration from 1 day to 4 days ismore » noticed. The pore structure features are used in predictive models for gas and moisture transport (water vapor diffusivity and moisture permeability) through the porous medium which dictates its long-term durability when used in structural applications. Comparisons of the pore structure with those of a Portland cement paste are also provided. The morphology of the reaction products in the iron-based binder, and the distribution of constituent elements in the microstructure are also reported. - Highlights: • Carbonation of iron produces a dense microstructure. • Pore volume in iron carbonate lower, critical size higher than those in OPC pastes • Reaction product contains iron, carbon, silicon, aluminum and calcium. • Power-law for porosity-moisture permeability relationship was established.« less

Scalability of transport parameters with pore sizes in isodense disordered media

NASA Astrophysics Data System (ADS)

Reginald, S. William; Schmitt, V.; Vallée, R. A. L.

2014-09-01

We study light multiple scattering in complex disordered porous materials. High internal phase emulsion-based isodense polystyrene foams are designed. Two types of samples, exhibiting different pore size distributions, are investigated for different slab thicknesses varying from L = 1 \\text{mm} to 10 \\text{mm} . Optical measurements combining steady-state and time-resolved detection are used to characterize the photon transport parameters. Very interestingly, a clear scalability of the transport mean free path \\ellt with the average size of the pores S is observed, featuring a constant velocity of the transport energy in these isodense structures. This study strongly motivates further investigations into the limits of validity of this scalability as the scattering strength of the system increases.

Weak charge form factor and radius of 208Pb through parity violation in electron scattering

DOE PAGES

Horowitz, C. J.; Ahmed, Z.; Jen, C. -M.; ...

2012-03-26

We use distorted wave electron scattering calculations to extract the weak charge form factor F W(more » $$\\bar{q}$$), the weak charge radius R W, and the point neutron radius R n, of 208Pb from the PREX parity violating asymmetry measurement. The form factor is the Fourier transform of the weak charge density at the average momentum transfer $$\\bar{q}$$ = 0.475 fm -1. We find F W($$\\bar{q}$$) = 0.204 ± 0.028(exp) ± 0.001(model). We use the Helm model to infer the weak radius from F W($$\\bar{q}$$). We find RW = 5.826 ± 0.181(exp) ± 0.027(model) fm. Here the exp error includes PREX statistical and systematic errors, while the model error describes the uncertainty in R W from uncertainties in the surface thickness σ of the weak charge density. The weak radius is larger than the charge radius, implying a 'weak charge skin' where the surface region is relatively enriched in weak charges compared to (electromagnetic) charges. We extract the point neutron radius R n = 5.751 ± 0.175 (exp) ± 0.026(model) ± 0.005(strange) fm, from R W. Here there is only a very small error (strange) from possible strange quark contributions. We find R n to be slightly smaller than R W because of the nucleon's size. As a result, we find a neutron skin thickness of R n-R p = 0.302 ± 0.175 (exp) ± 0.026 (model) ± 0.005 (strange) fm, where R p is the point proton radius.« less

Market potential of mesquite as fuel

Treesearch

A.T. Wiley; F.G. Manwiller

1976-01-01

The heat of combustion of mesquite heartwood, sapwood, bark, and a mixture of stems and leaves was tested. The values averaged 8,657, 8,021, 7,836, and 8,123 Btu per OD pound, respectively. If an industrial plant requiring 50,000 pounds of steam per hour were located in an area averaging 25 green tons of mesquite fiber per acre, a harvest radius of about 3 miles would...

Market potential of mesquite as fuel

Treesearch

A.T. Wiley; F.G. Manwiller

1976-01-01

The heat combustion of mesquite heartwood, aspwood, bark, and a mixture of stems and leaves was tested. The values averaged 8,657, 8,021, 7,836, and 8,123 Btu per OD pound, respectively. If an industrial plant requiring 50,000 pounds of steam per hour were located in an area averaging 25 green tons of mesquite fiber per acre, a harvest radius of about 3 miles would be...

A Geomagnetic Estimate of Mean Paleointensity

NASA Technical Reports Server (NTRS)

Voorhies, Coerte

2004-01-01

To test a statistical hypothesis about Earth's magnetic field against paleomagnetism, the present field is used to estimate time averaged paleointensity. The estimate uses the modem magnetic multipole spectrum R(n), which gives the mean square induction represented by spherical harmonics of degree n averaged over the sphere of radius a = 6371.2 km. The hypothesis asserts that the low degree multipole powers of the core-source field are distributed as chi-squared with 2n+l degrees of freedom and expectation values {R(n)} = K[(n+l/2)/n(n+l](c/a)(sup 2n+4), where c is the 3480 km radius of Earth's core. (This is compatible with a usually mainly geocentric axial dipolar field). Amplitude K is estimated by fitting theoretical to observational spectra through degree 12. The resulting calibrated expectation spectrum is summed through degree 12 to estimate expected square intensity {F(sup 2)}. The sum also estimates {F(sup 2)} averaged over geologic time, in so far as the present magnetic spectrum is a fair sample of that generated in the past by core geodynamic processes.

[APPLICATION OF BUTTERFLY SHAPED LOCKING COMPRESSION PLATE IN COMPLEX DISTAL RADIUS FRACTURES].

PubMed

Jiang, Zongyuan; Ma, Tao; Xia, Jiang; Hu, Caizhi; Xu, Lei

2014-06-01

To investigate the effectiveness of butterfly shaped locking compression plate for the treatment of complex distal radius fractures. Between June 2011 and January 2013, 20 cases of complex distal radius fractures were treated with butterfly shaped locking compression plate fixation. There were 11 males and 9 females with an average age of 54 years (range, 25-75 years). Injury was caused by falling in 10 cases, by traffic accident in 7 cases, and by falling from height in 3 cases. All of fractures were closed. According to AO classification system, there were 8 cases of type C1, 8 cases of type C2, and 4 cases of type C3. Of them, 9 cases had radial styloid process fracture, 4 cases had sigmoid notch fracture, and 7 cases had both radial styloid process fracture and sigmoid notch fracture. The mean interval between injury and operation was 5.2 days (range, 3-15 days). All incisions healed by first intention; no complications of infection and necrosis occurred. All cases were followed up 14 months on average (range, 10-22 months). All factures healed after 9.3 weeks on average (range, 6-11 weeks). No complications such as displacement of fracture, joint surface subsidence, shortening of the radius, and carpal tunnel syndrome were found during follow-up. At last follow-up, the mean palmar tilt angle was 10.2° (range, 7-15°), and the mean ulnar deviation angle was 21.8° (range, 17-24°). The mean range of motion of the wrist was 45.3° (range, 35-68°) in dorsal extension, 53.5° (range, 40-78°) in palmar flexion, 19.8° (range, 12-27°) in radial inclination, 26.6° (range, 18-31°) in ulnar inclination, 70.2° (range, 45-90°) in pronation, and 68.4° (range, 25-88°) in supination. According to the Dienst scoring system, the results were excellent in 8 cases, good in 10 cases, and fair in 2 cases, and the excellent and good rate was 90%. Treatment of complex distal radius fractures with butterfly shaped locking compression plate can reconstruct normal anatomic structures, especially for radial styloid process and sigmoid notch fractures, and it can get good functional recovery of the wrist and the distal radioulnar joint.

A fiber matrix model for fluid flow and streaming potentials in the canaliculi of an osteon

NASA Technical Reports Server (NTRS)

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

1994-01-01

A theoretical model is developed to predict the fluid shear stress and streaming potential at the surface of osteocytic processes in the lacunar-canalicular porosity of an osteon when the osteon is subject to mechanical loads that are parallel or perpendicular to its axis. The theory developed in Weinbaum et al. (31) for the flow through a proteoglycan matrix in a canaliculus is employed in a poroelastic model for the osteon. Our formulation is a generalization of that of Petrov et al. (17). Our model predicts that, in order to satisfy the measured frequency dependence of the phase and magnitude of the SGP in macroscopic bone samples, the fiber spacing in the fluid annulus must lie in the narrow range 6-7 nm typical of the spacing of GAG sidechains along a protein monomer. The model predictions for the local SGP profiles in the osteon agree with the experimental observations of Starkebaum et al. (24). The theory predicts that the pore pressure relaxation time, tau d, for a 150-300 microns diameter osteon with the foregoing matrix structure is approximately 0.03-0.13 sec, and that the amplitude of the mean fluid shear stress on the membrane of the osteocytic process at the mean areal radius of the osteon has a maximum at 28 Hz if tau d = 0.06 sec. This maximum, which is independent of the magnitude of the loading, could be important in vivo since the recent experiments of Turner et al. (28) and McLeod et al. (15) have a peak in the strain frequency spectrum between 20 and 30 Hz that also appears to be independent of the type (magnitude) of loading. Numerical predictions for the amplitude of the average fluid shear stress on the osteocytic membrane at the mean areal radius of the osteon show that the fluid shear stress associated with the low amplitude 20-30 Hz spectral strain component is at least as large as the average fluid shear stress associated with the high amplitude 1 Hz stride component, although the latter loading is an order of magnitude larger, and has a magnitude that lies within the middle of the range, 6-30 dynes/cm2, where fluid shear stresses in tissue culture studies with osteoblast monolayers have elicited an intracellular Ca++ response (31). The implications of these results for intracellular electrical communication are discussed.

Quantification of pediatric and adult cervical vertebra-anatomical characteristics by age and gender for automotive application.

PubMed

Parenteau, Chantal S; Wang, Nicholas C; Zhang, Peng; Caird, Michelle S; Wang, Stewart C

2014-01-01

The cervical anatomy has been shown to affect injury patterns in vehicle crashes. Characterizing the spine anatomy and changes associated with growth and gender is important when assessing occupant protection. In this study, selected cervical characteristics were quantified. Computed tomography (CT) scans of 750 patients were selected from the University of Michigan trauma database; 314 were children and 436 were adults. Four variables were obtained: the maximum spinal canal radius, vertebral body depth, facet angles, and retroversion angles. The cervical spine measurements varied with age and gender. The body depth increased nonlinearly with age. The average vertebral body depth at C4 was 9.2 ± 0.38 mm in the 0-3 age group, 15.7 ± 0.29 mm in the 18-29 age group, and 17.2 ± 0.46 mm in the 60+ age group. Pediatric and adult males had larger vertebral body depth than females overall, irrespective of vertebral level (P <.001). Compared to females, the vertebral body depth was 8-9 percent greater in male children and 13-16 percent greater in adult males. The average radius varied with gender, with male children generally having a larger radius than females irrespective of vertebral level (P <.001). Overall, spinal canal radius was smallest in the 0-3 and 60+ age groups and largest in the 18-29 age group. The C4 radius was 5.91 ± 0.17, 6.28 ± 0.14, and 6.73 ± 0.17 mm respectively. The radius was larger in the 4-7 age group than in the 0-3 age group, irrespective of vertebral level (P <.0001). There were nonsignificant radius changes between the 4-7 and 8-11 age groups and the 8-11 and age 12-17 groups, suggesting that the size of the spinal cord reaches near maturation by the age of 7. Facet angles decreased with age in children and increased with age in adults. The average facet angles were largest in the 0-3 age group (P <.1, C2-C6). Adult facet angles were greater in the 60+ age group than in the 18-29 age group (P <.0001, C2-C6). Males had larger facet angles than females overall (P <.01 at C2, C5-C7). The retroversion angles were largest at C6 and C7. They increased with age in children and decreased in the adult population; they were larger (5-22%) in the 18-29 age group than in the 60+ age group (P <.0001, C2-C6). The results obtained in this study help explain variations in cervical anatomical changes associated with age and gender. The information is useful when assessing differences in injury patterns between different segments of the population. Anatomical measurements of the cervical spine should be considered for the development of models used to assess injury mechanisms for various occupant age groups.

A buoyant tornado-probe concept incorporating an inverted lifting device. [and balloon combination

NASA Technical Reports Server (NTRS)

Grant, F. C.

1973-01-01

Addition of an inverted lifting device to a simple balloon probe is shown to make possible low-altitude entry to tornado cores with easier launch conditions than for the simple balloon probe. Balloon-lifter combinations are particularly suitable for penetration of tornadoes with average to strong circulation, but tornadoes of less than average circulation which are inaccessible to simple balloon probes become accessible. The increased launch radius which is needed for access to tornadoes over a wide range of circulation results in entry times of about 3 minutes. For a simple balloon probe the uninflated balloon must be first dropped on, or near, the track of the tornado from a safe distance. The increase in typical launch radius from about 0.75 kilometer to slightly over 1.0 kilometer with a balloon-lifter combination suggests that a direct air launch may be feasible.

Microwave Radiometer Observations of Snowpack Properties and Comparison of U.S. Japanese Results. [Hokkaido, Japan and Vermont and North Dakota test sites

NASA Technical Reports Server (NTRS)

Chang, A. T. C.

1985-01-01

Microwave data collected by field experiments over Vermont and Hokkaido and Nimbus-7 SMMR over North Dakota and Hokkaido were studied. The measured 37 GHz brightness temperatures show considerable effect of volume scattering by snow grains. The 37 GHz brightness for a new snowpack with average grain radius of 0.25 mm is generally about 40 K higher than the naturally compacted pack with average grain radius of 0.4 mm. The scattering effect is much less distinct for the 6.6 GHz. However, the layering effect is much stronger at the longer wavelength. For 10.7 and 18 GHz, the effect of layering and scattering vary due to different combinations of internal snow grain distribution and layering structures. Over the Hokkaido test site, the SMMR data are too coarse for the snow field. A better spatial resolution is required to study these snow fields.

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

Analysis of nanopore arrangement and structural features of anodic alumina layers formed by two-step anodizing in oxalic acid using the dedicated executable software

NASA Astrophysics Data System (ADS)

Zaraska, Leszek; Stępniowski, Wojciech J.; Sulka, Grzegorz D.; Ciepiela, Eryk; Jaskuła, Marian

2014-02-01

Anodic porous alumina layers were fabricated by a two-step self-organized anodization in 0.3 M oxalic acid under various anodizing potentials ranging from 30 to 60 V at two different temperatures (10 and 17 ∘C). The effect of anodizing conditions on structural features and pore arrangement of AAO was investigated in detail by using the dedicated executable publication combined with ImageJ software. With increasing anodizing potential, a linear increase of the average pore diameter, interpore distance, wall thickness and barrier layer thickness, as well as a decrease of the pore density, were observed. In addition, the higher pore diameter and porosity values were obtained for samples anodized at the elevated temperature, independently of the anodizing potential. A degree of pore order was investigated on the basis of Delaunay triangulations (defect maps) and calculation of pair distribution or angle distribution functions (PDF or ADF), respectively. All methods confirmed that in order to obtain nanoporous alumina with the best, hexagonal pore arrangement, the potential of 40 V should be applied during anodization. It was confirmed that the dedicated executable publication can be used to a fast and complex analysis of nanopore arrangement and structural features of nanoporous oxide layers.

Multiscale Simulation of Porous Ceramics Based on Movable Cellular Automaton Method

NASA Astrophysics Data System (ADS)

Smolin, A.; Smolin, I.; Eremina, G.; Smolina, I.

2017-10-01

The paper presents a model for simulating mechanical behaviour of multiscale porous ceramics based on movable cellular automaton method, which is a novel particle method in computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the random unique position in space. As a result, we get the average values of Young’s modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behaviour at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via the effective properties determined at the previous scale level. If the pore size distribution function of the material has N maxima we need to perform computations for N - 1 levels in order to get the properties from the lowest scale up to the macroscale step by step. The proposed approach was applied to modelling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behaviour of the model sample at the macroscale.

Cell wall microstructure, pore size distribution and absolute density of hemp shiv

PubMed Central

Lawrence, M.; Ansell, M. P.; Hussain, A.

2018-01-01

This paper, for the first time, fully characterizes the intrinsic physical parameters of hemp shiv including cell wall microstructure, pore size distribution and absolute density. Scanning electron microscopy revealed microstructural features similar to hardwoods. Confocal microscopy revealed three major layers in the cell wall: middle lamella, primary cell wall and secondary cell wall. Computed tomography improved the visualization of pore shape and pore connectivity in three dimensions. Mercury intrusion porosimetry (MIP) showed that the average accessible porosity was 76.67 ± 2.03% and pore size classes could be distinguished into micropores (3–10 nm) and macropores (0.1–1 µm and 20–80 µm). The absolute density was evaluated by helium pycnometry, MIP and Archimedes' methods. The results show that these methods can lead to misinterpretation of absolute density. The MIP method showed a realistic absolute density (1.45 g cm−3) consistent with the density of the known constituents, including lignin, cellulose and hemi-cellulose. However, helium pycnometry and Archimedes’ methods gave falsely low values owing to 10% of the volume being inaccessible pores, which require sample pretreatment in order to be filled by liquid or gas. This indicates that the determination of the cell wall density is strongly dependent on sample geometry and preparation. PMID:29765652

Quantitative Mapping of Pore Fraction Variations in Silicon Nitride Using an Ultrasonic Contact Scan Technique

NASA Technical Reports Server (NTRS)

Roth, Don J.; Kiser, James D.; Swickard, Suzanne M.; Szatmary, Steven A.; Kerwin, David P.

1993-01-01

An ultrasonic scan procedure using the pulse-echo contact configuration was employed to obtain maps of pore fraction variations in sintered silicon nitride samples in terms of ultrasonic material properties. Ultrasonic velocity, attenuation coefficient, and reflection coefficient images were obtained simultaneously over a broad band of frequencies (e.g., 30 to 110 MHz) by using spectroscopic analysis. Liquid and membrane (dry) coupling techniques and longitudinal and shear-wave energies were used. The major results include the following: Ultrasonic velocity (longitudinal and shear wave) images revealed and correlated with the extent of average through-thickness pore fraction variations in the silicon nitride disks. Attenuation coefficient images revealed pore fraction nonuniformity due to the scattering that occurred at boundaries between regions of high and low pore fraction. Velocity and attenuation coefficient images were each nearly identical for machined and polished disks, making the method readily applicable to machined materials. Velocity images were similar for wet and membrane coupling. Maps of apparent Poisson's ratio constructed from longitudinal and shear-wave velocities quantified Poisson's ratio variations across a silicon nitride disk. Thermal wave images of a disk indicated transient thermal behavior variations that correlated with observed variations in pore fraction and velocity and attenuation coefficients.

Pore-size dependence and characteristics of water diffusion in slitlike micropores

DOE PAGES

Diallo, S. O.

2015-07-16

The temperature dependence of the dynamics of water inside microporous activated carbon fibers (ACF) is investigated by means of incoherent elastic and quasielastic neutron-scattering techniques. The aim is to evaluate the effect of increasing pore size on the water dynamics in these primarily hydrophobic slit-shaped channels. Using two different micropore sizes (similar to 12 and 18 angstrom, denoted, respectively, ACF-10 and ACF-20), a clear suppression of the mobility of the water molecules is observed as the pore gap or temperature decreases. Suppression, we found, is accompanied by a systematic dependence of the average translational diffusion coefficient D-r and relaxation timemore » [tau(0)] of the restricted water on pore size and temperature. We observed D-r values and tested against a proposed scaling law, in which the translational diffusion coefficient D-r of water within a porous matrix was found to depend solely on two single parameters, a temperature-independent translational diffusion coefficient D-c associated with the water bound to the pore walls and the ratio theta of this strictly confined water to the total water inside the pore, yielding unique characteristic parameters for water transport in these carbon channels across the investigated temperature range.« less

A two-phase debris-flow model that includes coupled evolution of volume fractions, granular dilatancy, and pore-fluid pressure

USGS Publications Warehouse

George, David L.; Iverson, Richard M.

2011-01-01

Pore-fluid pressure plays a crucial role in debris flows because it counteracts normal stresses at grain contacts and thereby reduces intergranular friction. Pore-pressure feedback accompanying debris deformation is particularly important during the onset of debrisflow motion, when it can dramatically influence the balance of forces governing downslope acceleration. We consider further effects of this feedback by formulating a new, depth-averaged mathematical model that simulates coupled evolution of granular dilatancy, solid and fluid volume fractions, pore-fluid pressure, and flow depth and velocity during all stages of debris-flow motion. To illustrate implications of the model, we use a finite-volume method to compute one-dimensional motion of a debris flow descending a rigid, uniformly inclined slope, and we compare model predictions with data obtained in large-scale experiments at the USGS debris-flow flume. Predictions for the first 1 s of motion show that increasing pore pressures (due to debris contraction) cause liquefaction that enhances flow acceleration. As acceleration continues, however, debris dilation causes dissipation of pore pressures, and this dissipation helps stabilize debris-flow motion. Our numerical predictions of this process match experimental data reasonably well, but predictions might be improved by accounting for the effects of grain-size segregation.

Cell wall microstructure, pore size distribution and absolute density of hemp shiv

NASA Astrophysics Data System (ADS)

Jiang, Y.; Lawrence, M.; Ansell, M. P.; Hussain, A.

2018-04-01

This paper, for the first time, fully characterizes the intrinsic physical parameters of hemp shiv including cell wall microstructure, pore size distribution and absolute density. Scanning electron microscopy revealed microstructural features similar to hardwoods. Confocal microscopy revealed three major layers in the cell wall: middle lamella, primary cell wall and secondary cell wall. Computed tomography improved the visualization of pore shape and pore connectivity in three dimensions. Mercury intrusion porosimetry (MIP) showed that the average accessible porosity was 76.67 ± 2.03% and pore size classes could be distinguished into micropores (3-10 nm) and macropores (0.1-1 µm and 20-80 µm). The absolute density was evaluated by helium pycnometry, MIP and Archimedes' methods. The results show that these methods can lead to misinterpretation of absolute density. The MIP method showed a realistic absolute density (1.45 g cm-3) consistent with the density of the known constituents, including lignin, cellulose and hemi-cellulose. However, helium pycnometry and Archimedes' methods gave falsely low values owing to 10% of the volume being inaccessible pores, which require sample pretreatment in order to be filled by liquid or gas. This indicates that the determination of the cell wall density is strongly dependent on sample geometry and preparation.

Gas occurrence property in shales of Tuha basin northwest china

NASA Astrophysics Data System (ADS)

Chen, Jinlong; Huang, Zhilong

2017-04-01

Pore of rock under formation condition must be fulfilled by gas, oil, or water, so the volume of water and gas is equation to porous volume in shale gas. The occurrences states of gas are free gas, solution gas, and absorbed gas. Field analysis is used to obtain total gas content by improved lost gas recover method. Free gas content acquired by pore proportion of gas, which use measured pore volume minus water and oil saturation, convert gas content of standard condition by state equation. Water saturation obtain from core water content, oil saturation obtain from extract carbohydrate. Solution gas need gas solubility in oil and water to calculate solution gas content in standard condition. Absorbed gas, introduce Absorbed Gas Saturation ɛ, which acquire from isothermal adsorption volume vs field analysis gas content in many basins of published paper, need isothermal adsorption and Absorbed Gas Saturation to obtain absorbed gas content. All of the data build connect with logging value by regression equation. The gas content is 0.92-1.53 m3/t from field analysis, evaluate gas content is 1.33 m3/t average, free gas proportion is about 47%, absorbed gas counter for 49%, and solution gas is average 4%.

Insights into the effect of dilute acid, hot water or alkaline pretreatment on cellulose accessible surface area and the overall porosity of Populus

DOE PAGES

Meng, Xianzhi; Wells, Tyrone; Sun, Qining; ...

2015-06-19

Pretreatment is known to render biomass more reactive to cellulase by altering the chemical compositions as well as physical structures of biomass. Simons stain technique along with mercury porosimetry were applied on the acid, neutral, and alkaline pretreated materials to measure the accessible surface area of cellulose and pore size distribution of Populus. Results indicated that acid pretreatment is much more effective than water and alkaline pretreatment in terms of cellulose accessibility increase. Further investigation suggests that lignin does not dictate cellulose accessibility to the extent that hemicellulose does, but it does restrict xylan accessibility which in turn controls themore » access of cellulase to cellulose. The most interesting finding is that severe acid pretreatment significantly decreases the average pore size, i.e., 90% average size decrease could be observed after 60 min dilute acid pretreatment at 160 °C; moreover, the nano-pore space formed between coated microfibrils is increased after pretreatment, especially for the acid pretreatment, suggesting this particular type of biomass porosity is probably the most fundamental barrier to effective enzymatic hydrolysis.« less

Interconnected porous hydroxyapatite ceramics for bone tissue engineering

PubMed Central

Yoshikawa, Hideki; Tamai, Noriyuki; Murase, Tsuyoshi; Myoui, Akira

2008-01-01

Several porous calcium hydroxyapatite (HA) ceramics have been used clinically as bone substitutes, but most of them possessed few interpore connections, resulting in pathological fracture probably due to poor bone formation within the substitute. We recently developed a fully interconnected porous HA ceramic (IP-CHA) by adopting the ‘foam-gel’ technique. The IP-CHA had a three-dimensional structure with spherical pores of uniform size (average 150 μm, porosity 75%), which were interconnected by window-like holes (average diameter 40 μm), and also demonstrated adequate compression strength (10–12 MPa). In animal experiments, the IP-CHA showed superior osteoconduction, with the majority of pores filled with newly formed bone. The interconnected porous structure facilitates bone tissue engineering by allowing the introduction of mesenchymal cells, osteotropic agents such as bone morphogenetic protein or vasculature into the pores. Clinically, we have applied the IP-CHA to treat various bony defects in orthopaedic surgery, and radiographic examinations demonstrated that grafted IP-CHA gained radiopacity more quickly than the synthetic HA in clinical use previously. We review the accumulated data on bone tissue engineering using the novel scaffold and on clinical application in the orthopaedic field. PMID:19106069

Understanding the synergistic effect and the main factors influencing the enzymatic hydrolyzability of corn stover at low enzyme loading by hydrothermal and/or ultrafine grinding pretreatment.

PubMed

Zhang, Haiyan; Li, Junbao; Huang, Guangqun; Yang, Zengling; Han, Lujia

2018-05-26

A thorough assessment of the microstructural changes and synergistic effects of hydrothermal and/or ultrafine grinding pretreatment on the subsequent enzymatic hydrolysis of corn stover was performed in this study. The mechanism of pretreatment was elucidated by characterizing the particle size, specific surface area (SSA), pore volume (PV), average pore size, cellulose crystallinity (CrI) and surface morphology of the pretreated samples. In addition, the underlying relationships between the structural parameters and final glucose yields were elucidated, and the relative significance of the factors influencing enzymatic hydrolyzability were assessed by principal component analysis (PCA). Hydrothermal pretreatment at a lower temperature (170 °C) combined with ultrafine grinding achieved a high glucose yield (80.36%) at a low enzyme loading (5 filter paper unit (FPU)/g substrate) which is favorable. The relative significance of structural parameters in enzymatic hydrolyzability was SSA > PV > average pore size > CrI/cellulose > particle size. PV and SSA exhibited logarithmic correlations with the final enzymatic hydrolysis yield. Copyright © 2018 Elsevier Ltd. All rights reserved.

Estimating glomerular filtration rate (GFR) in children. The average between a cystatin C- and a creatinine-based equation improves estimation of GFR in both children and adults and enables diagnosing Shrunken Pore Syndrome.

PubMed

Leion, Felicia; Hegbrant, Josefine; den Bakker, Emil; Jonsson, Magnus; Abrahamson, Magnus; Nyman, Ulf; Björk, Jonas; Lindström, Veronica; Larsson, Anders; Bökenkamp, Arend; Grubb, Anders

2017-09-01

Estimating glomerular filtration rate (GFR) in adults by using the average of values obtained by a cystatin C- (eGFR cystatin C ) and a creatinine-based (eGFR creatinine ) equation shows at least the same diagnostic performance as GFR estimates obtained by equations using only one of these analytes or by complex equations using both analytes. Comparison of eGFR cystatin C and eGFR creatinine plays a pivotal role in the diagnosis of Shrunken Pore Syndrome, where low eGFR cystatin C compared to eGFR creatinine has been associated with higher mortality in adults. The present study was undertaken to elucidate if this concept can also be applied in children. Using iohexol and inulin clearance as gold standard in 702 children, we studied the diagnostic performance of 10 creatinine-based, 5 cystatin C-based and 3 combined cystatin C-creatinine eGFR equations and compared them to the result of the average of 9 pairs of a eGFR cystatin C and a eGFR creatinine estimate. While creatinine-based GFR estimations are unsuitable in children unless calibrated in a pediatric or mixed pediatric-adult population, cystatin C-based estimations in general performed well in children. The average of a suitable creatinine-based and a cystatin C-based equation generally displayed a better diagnostic performance than estimates obtained by equations using only one of these analytes or by complex equations using both analytes. Comparing eGFR cystatin and eGFR creatinine may help identify pediatric patients with Shrunken Pore Syndrome.

Controle de la morphologie d'hydrogels poreux a partir de structures polymeres

NASA Astrophysics Data System (ADS)

Esquirol, Anne-Laure

This master thesis presents a new fabrication method to prepare hydrogels with fully interconnected and tunable macropore networks prepared with co-continuous polymer blends. The main contributions are: (1) a hydrogel fabrication process providing a high control over the average pore size diameter, their volume fraction and their interconnectivity; (2) the microstructural characterization of porous hydrogels with new techniques such as X-ray microtomography and (3) the preparation of porous gels with industrial equipment such as extruders and injection molding presses. The development and improvement of methods and techniques to prepare porous polymers and porous gels have been intensive areas of research in materials science over the past 20 years because of their potential use in fields as diverse as high performance membranes and filtration devices, supports for catalysis and biochemical reactions, encapsulating devices for drug release, and scaffolds for cells seeding and proliferation. For this last application, in tissue engineering, some typical parameters related to porosity must be rigorously controlled: (1) the average pore size diameter; (2) the pore volume fraction; (3) the pore interconnectivity. Porous hydrogels are excellent candidates due to their similarities with the extracellular matrix (composition, mechanical properties and diffusion properties). A certain number of methods and techniques have been developed and studied to prepare gels comprising microstructured 3-D networks of (more or less) interconnected pores (also called sometimes microfluidic gels or (macro)porous gels). Poly(L-lactide) (PLA) porous materials were realized from immiscible and co-continuous binary blends of polystyrene/poly(L-lactide) (PS/PLA) at 50/50 %vol prepared by different methods : (1) internal mixer (cubic samples with 0.8 mm sides) and (2) extrusion followed by injection molding which allows the fabrication of bars with superior dimensions (0.95 cm x 1.25 cm x 6.3 cm). Quiescent annealing of the binary blends was performed at 190 °C to tune the characteristic dimensions of the co-continuous morphology: (1) 0, 10, 30, 60 and 90 min for cubic samples and (2) 0, 10, 20 and 30 min for bars. Afterwards, the PLA phase has been isolated by a specific solvent extraction of the PS phase to obtain porous PLA molds. Gravimetric analysis have demonstrated a co-continuity superior to 95% for cubic samples and superior to 85% for the bars. This morphology was analyzed by scanning electron microscopy (SEM) for each annealing time (for the cubic samples). Image analysis performed on the SEM micrographs have demonstrated that the average pore diameter can range from 3 mum to over 400 mum and that the specific interfacial area ranges from 5800 cm-1 to 45 cm-1, for annealing times going from 0 min to 90 min). The porosity of the bars was observed by X-ray microtomography and shows that the average pore diameter ranges from 10 mum to 500 mum (annealing from 10 min to 30 min). Solutions of agar or alginate were subsequently injected into the PLA porous molds by using a manual injection system, followed by an in situ gelification. Visual inspections and optical microscope observations show a complete injection for molds with average pore sizes over 20 mum (cubic samples) and over 300 mum (for bars). These assumptions are also supported by the gels morphology characterization. The second polymer phase (PLA) was subsequently dissolved using a second selective solvent, leaving only the porous gel structures. X-ray microtomography analysis, which provide 2-D and 3-D images, have demonstrated that the morphologies of the porous gels are similar to the PLA molds microstructures. For example, porous gels prepared with cubic PLA molds annealed during 60 min, show an average pore size of about 285 mum (as compared to 200 mum for the PLA molds) and a specific interfacial area of 70 cm -1 (as compared to 100 cm-1 for the PLA molds). Similar results were obtained for the porous gels prepared with the porous PLA bars (qualitative observation). The effectiveness of two sterilization methods has been proven on nutrient agar (NA) and "Brain Heart Infusion" (BHI) with no bacterial colonies apparition. The first method is the freeze-drying followed by an oven treatment at 120 °C in a sterile environment. The porous gel morphology was characterized by X-ray microtomography before and after freeze-drying, and after rehydration, demonstrating the conservation of the macroscopic dimensions of the gels, of their morphologies and porosities. The second method is the successive baths in an ethanol solution. Finally mechanical compression tests have shown that porous gels, as can be expected, have a lower compressive resistance as compared to non-porous hydrogels. (Abstract shortened by UMI.).

The direct and indirect costs of long bone fractures in a working age US population.

PubMed

Bonafede, Machaon; Espindle, Derek; Bower, Anthony G

2013-01-01

Information regarding the burden of fractures is limited, especially among working age patients. The objective of this study was to evaluate the direct and indirect costs associated with long bone fractures in a working age population using real-world claims data. This was a claims-based retrospective analysis, comparing adult patients in the 6 months before and 6 months after a long bone fracture between 1/1/2001 and 12/31/2008 using the MarketScan Research Databases. Outcomes included direct medical costs and utilization, as well as work absenteeism and short term disability, which was available for a sub-set of the patients. Observed and adjusted incremental costs (i.e., the difference in costs before and after a fracture) were evaluated and reported in 2008 US$. A total of 208,094 patients with at least one fracture were included in the study. Six, mutually exclusive fracture cohorts were evaluated: tibia shaft (n = 49,839), radius (n = 97,585), hip (n = 11,585), femur (n = 6788), humerus (n = 29,884), and those with multiple long bone fractures (n = 12,413). Average unadjusted direct costs in the 6-months before a long bone fracture ranged from $3291 (radius) to $12,923 (hip). The average incremental direct cost increase in the 6-months following a fracture ranged from $5707 (radius) to $39,041 (multiple fractures). Incremental absenteeism costs ranged from $950 (radius) to $2600 (multiple fractures), while incremental short-term disability costs ranged from $2050 (radius) to $4600 (multiple fractures). The results of this study indicate that long bone fractures are costly, both in terms of direct medical costs and lost productivity. Workplace absences and short-term disability represent a significant component of the burden of long bone fractures. These results may not be generalizable to all patients with fractures in the US, and do not reflect the burden of undiagnosed or sub-clinical fractures.

The relationship between galaxy and dark matter halo size from z ˜ 3 to the present

NASA Astrophysics Data System (ADS)

Somerville, Rachel S.; Behroozi, Peter; Pandya, Viraj; Dekel, Avishai; Faber, S. M.; Fontana, Adriano; Koekemoer, Anton M.; Koo, David C.; Pérez-González, P. G.; Primack, Joel R.; Santini, Paola; Taylor, Edward N.; van der Wel, Arjen

2018-01-01

We explore empirical constraints on the statistical relationship between the radial size of galaxies and the radius of their host dark matter haloes from z ∼ 0.1-3 using the Galaxy And Mass Assembly (GAMA) and Cosmic Assembly Near Infrared Deep Extragalactic Legacy Survey (CANDELS) surveys. We map dark matter halo mass to galaxy stellar mass using relationships from abundance matching, applied to the Bolshoi-Planck dissipationless N-body simulation. We define SRHR ≡ re/Rh as the ratio of galaxy radius to halo virial radius, and SRHRλ ≡ re/(λRh) as the ratio of galaxy radius to halo spin parameter times halo radius. At z ∼ 0.1, we find an average value of SRHR ≃ 0.018 and SRHRλ ≃ 0.5 with very little dependence on stellar mass. Stellar radius-halo radius (SRHR) and SRHRλ have a weak dependence on cosmic time since z ∼ 3. SRHR shows a mild decrease over cosmic time for low-mass galaxies, but increases slightly or does not evolve for more massive galaxies. We find hints that at high redshift (z ∼ 2-3), SRHRλ is lower for more massive galaxies, while it shows no significant dependence on stellar mass at z ≲ 0.5. We find that for both the GAMA and CANDELS samples, at all redshifts from z ∼ 0.1-3, the observed conditional size distribution in stellar mass bins is remarkably similar to the conditional distribution of λRh. We discuss the physical interpretation and implications of these results.

The Effects of Forming Parameters on Conical Ring Rolling Process

PubMed Central

Meng, Wen; Zhao, Guoqun; Guan, Yanjin

2014-01-01

The plastic penetration condition and biting-in condition of a radial conical ring rolling process with a closed die structure on the top and bottom of driven roll, simplified as RCRRCDS, were established. The reasonable value range of mandrel feed rate in rolling process was deduced. A coupled thermomechanical 3D FE model of RCRRCDS process was established. The changing laws of equivalent plastic strain (PEEQ) and temperature distributions with rolling time were investigated. The effects of ring's outer radius growth rate and rolls sizes on the uniformities of PEEQ and temperature distributions, average rolling force, and average rolling moment were studied. The results indicate that the PEEQ at the inner layer and outer layer of rolled ring are larger than that at the middle layer of ring; the temperatures at the “obtuse angle zone” of ring's cross-section are higher than those at “acute angle zone”; the temperature at the central part of ring is higher than that at the middle part of ring's outer surfaces. As the ring's outer radius growth rate increases at its reasonable value ranges, the uniformities of PEEQ and temperature distributions increase. Finally, the optimal values of the ring's outer radius growth rate and rolls sizes were obtained. PMID:25202716

Fluid Absorption and Release of Nonwovens and their Response to Compression

NASA Astrophysics Data System (ADS)

Bateny, Fatemeh

Fluid handling is a key property in one of the major nonwoven applications in absorbent product such as wipes, hygiene products, and baby diapers. These products are subjected to various levels of compression in real-use. The aim of this study was to investigate the liquid absorption and release properties of nonwovens to establish the absorption structure-property relationship at various compression levels. A comprehensive methodology, considering various flow directions, was employed to establish the relationship by decoupling the effect of structural parameters and material properties in two phases of this study respectively. In the first phase, the mechanism of absorption by pore structure was investigated through considering various fiber cross-sectional size and shape, as well as heterogeneous layered structures having a pore size reduction and expansion. In the second phase, the mechanism of absorption by fiber and consequent swelling was evaluated in view of fluid diffusion into the rayon fibers in samples having different percentages of PET fiber (non-absorbent) and rayon fiber (absorbent). The analysis of absorption and release properties through the entire dissertation was based on the pore characteristics of the nonwovens by measuring the average pore sizes, pore size distribution, and solidity. The investigation revealed that the absorption and release properties of nonwovens are governed by their pore characteristics. In homogeneous non-layered nonwoven fabrics, maximum absorption is mainly governed by the available pore volume. Absorbency rate is determined according to pore size and the maximum rate of absorption is achieved at a specific range of pore sizes. This indicates that an in-depth understanding of the absorption and release properties brings about valuable information for the absorbent product engineering.

Direct Numerical Simulation of Low Capillary Number Pore Scale Flows

NASA Astrophysics Data System (ADS)

Esmaeilzadeh, S.; Soulaine, C.; Tchelepi, H.

2017-12-01

The arrangement of void spaces and the granular structure of a porous medium determines multiple macroscopic properties of the rock such as porosity, capillary pressure, and relative permeability. Therefore, it is important to study the microscopic structure of the reservoir pores and understand the dynamics of fluid displacements through them. One approach for doing this, is direct numerical simulation of pore-scale flow that requires a robust numerical tool for prediction of fluid dynamics and a detailed understanding of the physical processes occurring at the pore-scale. In pore scale flows with a low capillary number, Eulerian multiphase methods are well-known to produce additional vorticity close to the interface. This is mainly due to discretization errors which lead to an imbalance of capillary pressure and surface tension forces that causes unphysical spurious currents. At the pore scale, these spurious currents can become significantly stronger than the average velocity in the phases, and lead to unphysical displacement of the interface. In this work, we first investigate the capability of the algebraic Volume of Fluid (VOF) method in OpenFOAM for low capillary number pore scale flow simulations. Afterward, we compare VOF results with a Coupled Level-Set Volume of Fluid (CLSVOF) method and Iso-Advector method. It has been shown that the former one reduces the VOF's unphysical spurious currents in some cases, and both are known to capture interfaces sharper than VOF. As the conclusion, we will investigate that whether the use of CLSVOF or Iso-Advector will lead to less spurious velocities and more accurate results for capillary driven pore-scale multiphase flows or not. Keywords: Pore-scale multiphase flow, Capillary driven flows, Spurious currents, OpenFOAM

Rereduction for Redisplacement of Both-Bone Forearm Shaft Fractures in Children.

PubMed

Eismann, Emily A; Parikh, Shital N; Jain, Viral V

2016-06-01

There is a high rate of redisplacement after closed reduction and cast treatment of displaced both-bone forearm shaft fractures in children. Little evidence is available on the efficacy of rereduction of these redisplaced fractures. This study evaluates the impact of rereduction on radiographic outcomes and compares the cost to surgical stabilization. This retrospective study included 31 children (mean age, 6.3 y; 18 boys) treated with rereduction for redisplacement of a displaced both-bone forearm shaft fracture between 2008 and 2013. Angulation was measured on anteroposterior and lateral radiographs of the radius and ulna at injury, after reduction, at redisplacement, after rereduction, and at fracture union. Average procedure costs for rereduction and surgical stabilization were calculated. Initial reduction decreased apex volar angulation (initially >20 degrees) of both bones to a median of ≤2 degrees. After an average of 15 days (range, 4 to 35 d), apex volar angulation of the radius worsened to 9 degrees, and apex ulnar angulation worsened to >10 degrees for both bones. For every 5 days after initial reduction, apex ulnar angulation of the radius worsened by 4 degrees. Rereduction reduced apex ulnar and volar angulation of both bones to <5 degrees, which was maintained after cast removal. There were no complications. The average procedure cost for rereduction was $2056 compared with $4589 for surgical stabilization with or without implant removal. Rereduction of both-bone forearm shaft fractures after redisplacement following initial closed reduction had satisfactory radiographic outcomes and is a safe, effective, and less expensive option than surgical stabilization. Level IV-therapeutic.

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).

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

Molecular simulation of fluid adsorption in buckytubes and MCM-41

NASA Astrophysics Data System (ADS)

Maddox, M. W.; Gubbins, K. E.

1994-11-01

We report grand canonical Monte Carlo (GCMC) molecular-simulation studies of argon and nitrogen in models of two novel adsorbents, buckytubes and MCM-41. Buckytubes are monodisperse carbon tubes with internal diameters of 1 5 nm and a regular pore structure. MCM-41 is one member of a new family of highly uniform mesoporous aluminosilicates produced by Mobil. The pore size of MCM-41 can be accurately controlled within the range 1.5-I.0 nm. The adsorption of argon in a buckytube and the adsorption of nitrogen in two different MCM-41 pores are studied at 77 K. Both fluids are modeled as Lennard-Jones spheres. and an averaged fluid-wall potential, dependent only on the distance of the adsorbed molecule from the center of the tube or pore is used. Isotherms and isosteric heats are calculated. Layering transitions and a hysteresis loop are observed for the buckytube and good agreement is found between simulated and experimental isotherms for the MCM-41 systems.

Reactive Melt Infiltration of Silicon-Niobium Alloys in Microporous Carbons

NASA Technical Reports Server (NTRS)

Singh, M.; Behrendt, D. R.

1994-01-01

Studies of the reactive melt infiltration of silicon-niobium alloys in microporous carbon preforms prepared by the pyrolysis of a polymer precursor have been carried out using modeling, Differential Thermal Analysis (DTA), and melt infiltration. Mercury porosimetry results indicate a very narrow pore size distribution with virtually all the porosity within the carbon preforms open to infiltrants. The morphology and amount of the residual phases (niobium disilicide and silicon) in the infiltrated material can be tailored according to requirements by careful control of the properties (pore size and pore volume) of the porous carbon preforms and alloy composition. The average room temperature four-point flexural strength of a reaction-formed silicon carbide material (made by the infiltration of medium pore size carbon preform with Si - 5 at. % Nb alloy) is 290 +/- 40 MPa (42 +/- 6 ksi) and the fracture toughness is 3.7 +/- 0.3 MPa square root of m. The flexural strength decreases at high temperatures due to relaxation of residual thermal stresses and the presence of free silicon in the material.

Manufacturing of biodegradable polyurethane scaffolds based on polycaprolactone using a phase separation method: physical properties and in vitro assay

PubMed Central

Asefnejad, Azadeh; Khorasani, Mohammad Taghi; Behnamghader, Aliasghar; Farsadzadeh, Babak; Bonakdar, Shahin

2011-01-01

Background Biodegradable polyurethanes have found widespread use in soft tissue engineering due to their suitable mechanical properties and biocompatibility. Methods In this study, polyurethane samples were synthesized from polycaprolactone, hexamethylene diisocyanate, and a copolymer of 1,4-butanediol as a chain extender. Polyurethane scaffolds were fabricated by a combination of liquid–liquid phase separation and salt leaching techniques. The effect of the NCO:OH ratio on porosity content and pore morphology was investigated. Results Scanning electron micrographs demonstrated that the scaffolds had a regular distribution of interconnected pores, with pore diameters of 50–300 μm, and porosities of 64%–83%. It was observed that, by increasing the NCO:OH ratio, the average pore size, compressive strength, and compressive modulus increased. L929 fibroblast and chondrocytes were cultured on the scaffolds, and all samples exhibited suitable cell attachment and growth, with a high level of biocompatibility. Conclusion These biodegradable polyurethane scaffolds demonstrate potential for soft tissue engineering applications. PMID:22072874

The Relationship of the MOLA Topography of Mars to the Mean Atmospheric Pressure

NASA Technical Reports Server (NTRS)

Smith, David E.; Zuber, Maria T.

1999-01-01

The MOLA topography of Mars is based on a new mean radius of the planet and new equipotential surface for the areoid. The mean atmospheric pressure surface of 6.1mbars that has been used in the past as a reference level for topography does not apply to the zero level of MOLA elevations. The MOLA mean radius of the planet is 3389508 meters and the mean equatorial radius is 339600 meters. The areoid of the zero level of the MOLA altimetry is defined to be the potential surface with the same potential as the mean equatorial radius. The MOLA topography differs from the USGS digital elevation data by approximately 1.6 km, with MOLA higher. The average pressure on the MOLA reference surface for Ls =0 is approximately 5.1 mbars and has been derived from occultation data obtained from the tracking of Viking, Mariner, and MGS spacecraft and interpolated with the aid of the Ames Mars GCM. The new topography and the new occultation data are providing a more reliable relationship between elevation and surface pressure.

Host Star Dependence of Small Planet Mass–Radius Distributions

NASA Astrophysics Data System (ADS)

Neil, Andrew R.; Rogers, Leslie A.

2018-05-01

The planet formation environment around M dwarf stars is different than around G dwarf stars. The longer hot protostellar phase, activity levels and lower protoplanetary disk mass of M dwarfs all may leave imprints on the composition distribution of planets. We use hierarchical Bayesian modeling conditioned on the sample of transiting planets with radial velocity mass measurements to explore small planet mass–radius distributions that depend on host star mass. We find that the current mass–radius data set is consistent with no host star mass dependence. These models are then applied to the Kepler planet radius distribution to calculate the mass distribution of close-orbiting planets and how it varies with host star mass. We find that the average heavy element mass per star at short orbits is higher for M dwarfs compared to FGK dwarfs, in agreement with previous studies. This work will facilitate comparisons between microlensing planet surveys and Kepler, and will provide an analysis framework that can readily be updated as more M dwarf planets are discovered by ongoing and future surveys such as K2 and the Transiting Exoplanet Survey Satellite.

Temporal length-scale cascade and expansion rate on planar liquid jet instability

NASA Astrophysics Data System (ADS)

Sirignano, William; Zandian, Arash; Hussain, Fazle

2016-11-01

Using the local radius of curvature of the surface and the local transverse dimension of the two-phase (i.e., spray) domain as length scales, we obtained two PDFs over a wide range of length-scales at different times and for different Reynolds and Weber (We) numbers. The PDFs were developed via post-processing of DNS Navier-Stokes results for a 3D planar liquid sheet segment with level-set and Volume-of-Fluid surface tracking, giving better statistical data for the length scales compared to the former methods. The radius PDF shows that, with increasing We , the average radius of curvature decreases, number of small droplets increases, and cascade occurs at a faster rate. In time, the mean of the radius PDF decreases while the rms increases. The other PDF represents the spray expansion in a more realistic and meaningful form, showing that the spray angle is larger at higher We and density-ratios. Both the mean and the rms of the spray-size PDF increase with time. The PDFs also track the transitions between symmetric and anti-symmetric modes.

Dark Energy and Key Physical Parameters of Clusters of Galaxies

NASA Astrophysics Data System (ADS)

Chernin, A. D.; Bisnovatyi-Kogan, G. S.

We discuss the physics of clusters of galaxies embedded in the cosmic dark energy background and show that 1) the halo cut-off radius of a cluster like the Virgo cluster is practically, if not exactly, equal to the zero-gravity radius at which the dark matter gravity is balanced by the dark energy antigravity; 2) the halo averaged density is equal to two densities of dark energy; 3) the halo edge (cut-off) density is the dark energy density with a numerical factor of the unity order slightly depending on the halo profile.

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.

More on Magnetic Spectra from Correlated Crustal Sources on Mars

NASA Technical Reports Server (NTRS)

Voorhies, C. V.

2005-01-01

The spectral method for distinguishing crustal from core-source magnetic fields has been re-examined, modified and applied to both a comprehensive geomagnetic field model and an altitude normalized magnetic map of Mars. These observational spectra are fairly fitted by theoretical forms expected from certain elementary classes of magnetic sources. For Earth we found fields from a core of radius 3512 plus or minus 64 km, in accord with the 3480 km seismologic radius, and a crust represented by a shell of random dipolar sources at radius 6367 plus or minus 14 km, just beneath the 6371.0 km mean radius. For Mars we found only a field from a crust represented in same way, but 46 plus or minus 10 km below the planetary mean radius of 3389.5 km, and with sources about 9.6 plus or minus 3.2 times stronger than Earth's. It is remarkable that the same simple theoretical form should fairly fit crustal magnetic spectra for both worlds and return crustal-source depth estimates of plausible magnitude. Evidently, the idea of an ensemble of compact, quasi-independent, magnetized regions within these planetary crusts has some merit. Yet such estimates, at best a kind of average, depend upon both the observational spectrum fitted and the physical basis of the theoretical spectrum.

Extraction of the proton radius from electron-proton scattering data

DOE PAGES

Lee, Gabriel; Arrington, John R.; Hill, Richard J.

2015-07-27

We perform a new analysis of electron-proton scattering data to determine the proton electric and magnetic radii, enforcing model-independent constraints from form factor analyticity. A wide-ranging study of possible systematic effects is performed. An improved analysis is developed that rebins data taken at identical kinematic settings and avoids a scaling assumption of systematic errors with statistical errors. Employing standard models for radiative corrections, our improved analysis of the 2010 Mainz A1 Collaboration data yields a proton electric radius r E = 0.895(20) fm and magnetic radius r M = 0.776(38) fm. A similar analysis applied to world data (excluding Mainzmore » data) implies r E = 0.916(24) fm and r M = 0.914(35) fm. The Mainz and world values of the charge radius are consistent, and a simple combination yields a value r E = 0.904(15) fm that is 4σ larger than the CREMA Collaboration muonic hydrogen determination. The Mainz and world values of the magnetic radius differ by 2.7σ, and a simple average yields r M = 0.851(26) fm. As a result, the circumstances under which published muonic hydrogen and electron scattering data could be reconciled are discussed, including a possible deficiency in the standard radiative correction model which requires further analysis.« less

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 nite Larmor radius (FLR) eects on E B test particle chaotic transport in non- monotonic zonal ows with drift waves in magnetized plasmas is presented. Due to the non- monotonicity of the zonal ow, the Hamiltonian does not satisfy the twist condition. The electro- static potential is modeled as a linear superposition of a zonal ow and regular neutral modes of the Hasegawa-Mima equation. FLR eects are incorporated by gyro-averaging the EB Hamiltonian. It is shown that there is a critical value the Larmor radius for which the zonal ow transitions from a prole with one maximummore » to a prole 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 ra- dius can lead to heteroclinic-homoclinic bifurcations and dipole formation. For Larmor radii for which the zonal ow has bifurcated, double heteroclinic-heteroclinic, homoclinic-homoclinic and heteroclinic-homoclinic topologies are observed. It is also shown that chaotic transport is typically reduced as the Larmor radius increases. Poincare sections shows that, for large enough Larmor radius, chaos can be practically suppressed. In particular, small changes on the Larmor radius can restore the shearless curve.« less

The thin section rock physics: Modeling and measurement of seismic wave velocity on the slice of carbonates

NASA Astrophysics Data System (ADS)

Wardaya, P. D.; Noh, K. A. B. M.; Yusoff, W. I. B. W.; Ridha, S.; Nurhandoko, B. E. B.

2014-09-01

This paper discusses a new approach for investigating the seismic wave velocity of rock, specifically carbonates, as affected by their pore structures. While the conventional routine of seismic velocity measurement highly depends on the extensive laboratory experiment, the proposed approach utilizes the digital rock physics view which lies on the numerical experiment. Thus, instead of using core sample, we use the thin section image of carbonate rock to measure the effective seismic wave velocity when travelling on it. In the numerical experiment, thin section images act as the medium on which wave propagation will be simulated. For the modeling, an advanced technique based on artificial neural network was employed for building the velocity and density profile, replacing image's RGB pixel value with the seismic velocity and density of each rock constituent. Then, ultrasonic wave was simulated to propagate in the thin section image by using finite difference time domain method, based on assumption of an acoustic-isotropic medium. Effective velocities were drawn from the recorded signal and being compared to the velocity modeling from Wyllie time average model and Kuster-Toksoz rock physics model. To perform the modeling, image analysis routines were undertaken for quantifying the pore aspect ratio that is assumed to represent the rocks pore structure. In addition, porosity and mineral fraction required for velocity modeling were also quantified by using integrated neural network and image analysis technique. It was found that the Kuster-Toksoz gives the closer prediction to the measured velocity as compared to the Wyllie time average model. We also conclude that Wyllie time average that does not incorporate the pore structure parameter deviates significantly for samples having more than 40% porosity. Utilizing this approach we found a good agreement between numerical experiment and theoretically derived rock physics model for estimating the effective seismic wave velocity of rock.

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.

Adsorptive removal of naproxen and clofibric acid from water using metal-organic frameworks.

PubMed

Hasan, Zubair; Jeon, Jaewoo; Jhung, Sung Hwa

2012-03-30

Adsorptive removal of naproxen and clofibric acid, two typical PPCPs (pharmaceuticals and personal care products), has been studied using metal-organic frameworks (MOFs) for the first time. The removal efficiency decreases in the order of MIL-101>MIL-100-Fe>activated carbon both in adsorption rate and adsorption capacity. The adsorption kinetics and capacity of PPCPs generally depend on the average pore size and surface area (or pore volume), respectively, of the adsorbents. The adsorption mechanism may be explained with a simple electrostatic interaction between PPCPs and the adsorbent. Finally, it can be suggested that MOFs having high porosity and large pore size can be potential adsorbents to remove harmful PPCPs in contaminated water. Copyright © 2012 Elsevier B.V. All rights reserved.

Quasielastic neutron scattering study of water confined in carbon nanopores

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

Mavila Chathoth, Suresh; Mamontov, Eugene; Kolesnikov, Alexander I

2011-01-01

Microscopic dynamics of water confined in nanometer and sub-nanometer pores of carbide-derived carbon (CDC) were investigated using quasielastic neutron scattering (QENS). The temperature dependence of the average relaxation time, {tau}, exhibits super-Arrhenius behavior that could be described by Vogel-Fulcher-Tammann (VFT) law in the range from 250 K to 190 K; below this temperature, {tau} follows Arrhenius temperature dependence. The temperature of the dynamic crossover between the two regimes in water confined in the CDC pores is similar to that observed for water in hydrophobic confinement of the larger size, such as 14 {angstrom} ordered mesoporous carbon (CMK) and 16 {angstrom}more » double-wall carbon nanotubes. Thus, the dynamical behavior of water remains qualitatively unchanged even in the very small hydrophobic pores.« less

Study of the deposition features of the organic dye Rhodamine B on the porous surface of silicon with different pore sizes

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

Lenshin, A. S., E-mail: lenshinas@phys.vsu.ru; Seredin, P. V.; Kavetskaya, I. V.

2017-02-15

The deposition features of the organic dye Rhodamine B on the porous surface of silicon with average pore sizes of 50–100 and 100–250 nm are studied. Features of the composition and optical properties of the obtained systems are studied using infrared and photoluminescence spectroscopy. It is found that Rhodamine-B adsorption on the surface of por-Si with various porosities is preferentially physical. The optimal technological parameters of its deposition are determined.

Preparation and Characterization of Mesoporous Zirconia Made by Using a Poly (methyl methacrylate) Template

NASA Astrophysics Data System (ADS)

Duan, Guorong; Zhang, Chunxiang; Li, Aimei; Yang, Xujie; Lu, Lude; Wang, Xin

2008-03-01

Superfine powders of poly (methyl methacrylate) (PMMA) have been prepared by means of an emulsion polymerization method. These have been used as templates in the synthesis of tetragonal phase mesoporous zirconia by the sol gel method, using zirconium oxychloride and oxalic acid as raw materials. The products have been characterized by infrared spectroscopy, X-ray diffraction analysis, transmission electron microscopy, N2 adsorption-desorption isotherms, and pore size distribution. The results indicate that the average pore size was found to be 3.7 nm.

Synthesis of 5-hydroxymethylfurural from carbohydrates using large-pore mesoporous tin phosphate.

PubMed

Dutta, Arghya; Gupta, Dinesh; Patra, Astam K; Saha, Basudeb; Bhaumik, Asim

2014-03-01

A large-pore mesoporous tin phosphate (LPSnP-1) material has been synthesized hydrothermally by using Pluronic P123 as the structure-directing agent. The material is composed of aggregated nanoparticles of 10-15 nm in diameter and has a BET surface area of 216 m(2)  g(-1) with an average pore diameter of 10.4 nm. This pore diameter is twice as large as that of mesoporous tin phosphate materials synthesized through the surfactant-templating pathways reported previously. LPSnP-1 shows excellent catalytic activity for the conversion of fructose, glucose, sucrose, cellobiose, and cellulose to 5-hydroxymethylfurfural (HMF) in a water/methyl isobutyl ketone biphasic solvent to give maximum yields of HMF of 77, 50, 51, 39, and 32 mol %, respectively, under microwave-assisted heating at 423 K. Under comparable reaction conditions, LPSnP-1 gives 12 % more HMF yield than a small-pore mesoporous tin phosphate catalyst that has an identical framework composition. This confirms the beneficial role of large mesopores and nanoscale particle morphology in catalytic reactions that involve bulky natural carbohydrate molecules. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tuning the Pore Geometry of Ordered Mesoporous Carbons for Enhanced Adsorption of Bisphenol-A

PubMed Central

Libbrecht, Wannes; Vandaele, Koen; De Buysser, Klaartje; Verberckmoes, An; Thybaut, Joris W.; Poelman, Hilde; De Clercq, Jeriffa; Van Der Voort, Pascal

2015-01-01

Mesoporous carbons were synthesized via both soft and hard template methods and compared to a commercial powder activated carbon (PAC) for the adsorption ability of bisphenol-A (BPA) from an aqueous solution. The commercial PAC had a BET-surface of 1027 m2/g with fine pores of 3 nm and less. The hard templated carbon (CMK-3) material had an even higher BET-surface of 1420 m2/g with an average pore size of 4 nm. The soft templated carbon (SMC) reached a BET-surface of 476 m2/g and a pore size of 7 nm. The maximum observed adsorption capacity (qmax) of CMK-3 was the highest with 474 mg/g, compared to 290 mg/g for PAC and 154 mg/g for SMC. The difference in adsorption capacities was attributed to the specific surface area and hydrophobicity of the adsorbent. The microporous PAC showed the slowest adsorption, while the ordered mesopores of SMC and CMK-3 enhanced the BPA diffusion into the adsorbent. This difference in adsorption kinetics is caused by the increase in pore diameter. However, CMK-3 with an open geometry consisting of interlinked nanorods allows for even faster intraparticle diffusion. PMID:28788023

EPA Region 1 - Valley Depth in Meters

EPA Pesticide Factsheets

Raster of the Depth in meters of EPA-delimited Valleys in Region 1.Valleys (areas that are lower than their neighbors) were extracted from a Digital Elevation Model (USGS, 30m) by finding the local average elevation, subtracting the actual elevation from the average, and selecting areas where the actual elevation was below the average. The landscape was sampled at seven scales (circles of 1, 2, 4, 7, 11, 16, and 22 km radius) to take into account the diversity of valley shapes and sizes. Areas selected in at least four scales were designated as valleys.

Neutron stars structure in the context of massive gravity

NASA Astrophysics Data System (ADS)

Hendi, S. H.; Bordbar, G. H.; Eslam Panah, B.; Panahiyan, S.

2017-07-01

Motivated by the recent interests in spin-2 massive gravitons, we study the structure of neutron star in the context of massive gravity. The modifications of TOV equation in the presence of massive gravity are explored in 4 and higher dimensions. Next, by considering the modern equation of state for the neutron star matter (which is extracted by the lowest order constrained variational (LOCV) method with the AV18 potential), different physical properties of the neutron star (such as Le Chatelier's principle, stability and energy conditions) are investigated. It is shown that consideration of the massive gravity has specific contributions into the structure of neutron star and introduces new prescriptions for the massive astrophysical objects. The mass-radius relation is examined and the effects of massive gravity on the Schwarzschild radius, average density, compactness, gravitational redshift and dynamical stability are studied. Finally, a relation between mass and radius of neutron star versus the Planck mass is extracted.

Flame surface statistics of constant-pressure turbulent expanding premixed flames

NASA Astrophysics Data System (ADS)

Saha, Abhishek; Chaudhuri, Swetaprovo; Law, Chung K.

2014-04-01

In this paper we investigate the local flame surface statistics of constant-pressure turbulent expanding flames. First the statistics of local length ratio is experimentally determined from high-speed planar Mie scattering images of spherically expanding flames, with the length ratio on the measurement plane, at predefined equiangular sectors, defined as the ratio of the actual flame length to the length of a circular-arc of radius equal to the average radius of the flame. Assuming isotropic distribution of such flame segments we then convolute suitable forms of the length-ratio probability distribution functions (pdfs) to arrive at the corresponding area-ratio pdfs. It is found that both the length ratio and area ratio pdfs are near log-normally distributed and shows self-similar behavior with increasing radius. Near log-normality and rather intermittent behavior of the flame-length ratio suggests similarity with dissipation rate quantities which stimulates multifractal analysis.

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

Hendi, S.H.; Bordbar, G.H.; Panah, B. Eslam

Motivated by the recent interests in spin−2 massive gravitons, we study the structure of neutron star in the context of massive gravity. The modifications of TOV equation in the presence of massive gravity are explored in 4 and higher dimensions. Next, by considering the modern equation of state for the neutron star matter (which is extracted by the lowest order constrained variational (LOCV) method with the AV18 potential), different physical properties of the neutron star (such as Le Chatelier's principle, stability and energy conditions) are investigated. It is shown that consideration of the massive gravity has specific contributions into themore » structure of neutron star and introduces new prescriptions for the massive astrophysical objects. The mass-radius relation is examined and the effects of massive gravity on the Schwarzschild radius, average density, compactness, gravitational redshift and dynamical stability are studied. Finally, a relation between mass and radius of neutron star versus the Planck mass is extracted.« less

Mixed Convection Opposing Flow in a Vertical Porous Annulus-Two Temperature Model

NASA Astrophysics Data System (ADS)

Al-Rashed, Abdullah A. AA; J, Salman Ahmed N.; Khaleed, H. M. T.; Yunus Khan, T. M.; NazimAhamed, K. S.

2016-09-01

The opposing flow in a porous medium refers to a condition when the forcing velocity flows in opposite direction to thermal buoyancy obstructing the buoyant force. The present research refers to the effect of opposing flow in a vertical porous annulus embedded with fluid saturated porous medium. The thermal non-equilibrium approach with Darcy modal is considered. The boundary conditions are such that the inner radius is heated with constant temperature Tw the outer radius is maintained at constant temperature Tc. The coupled nonlinear partial differential equations such as momentum equation, energy equation for fluid and energy equation for solid are solved using the finite element method. The opposing flow variation of average Nusselt number with respect to radius ratio Rr, Aspect ratioAr and Radiation parameter Rd for different values of Peclet number Pe are investigated. It is found that the flow behavior is quite different from that of aiding flow.

Frequency Dependent Macro-dispersion Induced by Oscillatory Inputs and Spatial Heterogeneity

NASA Astrophysics Data System (ADS)

Rajabi, F.; Battiato, I.

2017-12-01

Elucidating flow and transport processes at the pore scale is the cornerstone of most hydrologic studies in the subsurface. This becomes even more imperative when the system is subject to a cyclic forcing. Such temporal variations with evolving heterogeneity of time scales spanning from days to years can influence transport phenomena at the pore level, e.g. yearly freeze/thaw in the thin active layer of soil above permafrost zone whose thickness increases throughout the thaw season. Moreover, understanding the interactions of different physical phenomena at the pore scale is key to predict the behavior at the continuum scale. Yet, the connection between periodic inputs at the pore scale and macrotransport is to a great extent unknown. In the spirit of homogenization technique, we derived a macrotime continuum-scale equation as well as expressions for the effective transport coefficients. The macrodispersion arises from contributions of molecular diffusion, spatial heterogeneity and time-dependent fluctuations. Moreover, we have quantified the solute spreading by effective dispersion in terms of dimensionless numbers (Pe, Da, and Strouhal), i.e. expressing the interplay of molecular diffusion, advection, reaction and signal frequency. Yet, as every macroscopic model, spatiotemporally averaged models can breakdown when certain criteria are violated. This makes the continuum scale equation a poor approximation for the processes at the pore scale. To this end, we also provide the conditions under which the space-time averaged equations accurately describe pore-scale processes. In addition, this study gives a robust evidence that transverse mixing can in fact benefit from fluctuating boundary forcing due to the interaction of temporal fluctuations and molecular diffusion. Furthermore, it provides a robust quantitative foundation for designing the desired systems since the interplay of geometry and external forcing has been directly connected to each other in terms of dimensionless (St) number. We compare our theoretical framework with data from an experiment performed on several micro-channels with different geometry and different frequencies of injection at the inlet. The proposed formulation is found to provide remarkably good predictions and correctly explain the experimental mixing dynamics.

Antero-medial approach to the wrist: anatomic basis and new application in cases of fracture of the lunate facet.

PubMed

Uzel, A-P; Bulla, A; Laurent-Joye, M; Caix, P

2011-08-01

The Henry approach is the classical anterolateral surgical exposure of the volar aspect of the distal radius. This approach does not allow good access to the medial side of the volar distal radius (lunate facet) and the distal radio-ulnar joint, unless it is extended proximally, retracting the tendons and the median nerve medially, which can cause some trauma. The purpose of our study was to investigate the anatomic basis and to outline the advantages of the unusual anteromedial approach, reporting our experience in the treatment of 4 distal radius fractures, with a 90° or 180° twist of the lunate facet, and 10 wrist dissections on cadavers. The average follow-up was 68.8 months (range 18 to 115 months). In our series, this approach did not cause any nerve injuries or any sensory loss of the distal forearm and the palm. All the fractures of the lunate facet and of the radial styloid process healed. One patient with an ulnar styloid process fracture associated showed pseudarthrosis, but with no instability of the distal radio-ulnar joint or pain on the ulnar side. Using the criteria of Green and O'Brien, modified by Cooney, the results were: excellent in two cases, good in one case, and average in another. The evaluation of arthritis according to Knirk and Jupiter's classification showed grade 0 in three cases and grade 3 in one case with osteochondral sclerosis. We showed that the anteromedial approach is reliable and convenient in the case of fractures situated in the antero-medial portion of the radius, for the double objective of reducing the fracture under direct control and checking the congruence of the distal radio-ulnar joint.

Solar disc radius determined from observations made during eclipses with bolometric and photometric instruments on board the PICARD satellite

NASA Astrophysics Data System (ADS)

Thuillier, G.; Zhu, P.; Shapiro, A. I.; Sofia, S.; Tagirov, R.; van Ruymbeke, M.; Perrin, J.-M.; Sukhodolov, T.; Schmutz, W.

2017-07-01

Context. Despite the importance of having an accurate measurement of the solar disc radius, there are large uncertainties of its value due to the use of different measurement techniques and instrument calibration. An item of particular importance is to establish whether the value of the solar disc radius correlates with the solar activity level. Aims: The main goal of this work is to measure the solar disc radius in the near-UV, visible, and near-IR regions of the solar spectrum. Methods: Three instruments on board the PICARD spacecraft, namely the Bolometric Oscillations Sensor (BOS), the PREcision MOnitoring Sensor (PREMOS), and a solar sensor (SES), are used to derive the solar disc radius using the light curves produced when the Sun is occulted by the Moon. Nine eclipses, from 2010 to 2013, resulted in 17 occultations as viewed from the moving satellite. The calculation of the solar disc radius uses a simulation of the light curve taking into account the center-to-limb variation provided by the Non-local thermodynamic Equilibrium Spectral SYnthesis (NESSY) code. Results: We derive individual values for the solar disc radius for each viewed eclipse. Tests for a systematic variation of the radius with the progression of the solar cycle yield no significant results during the three years of measurements within the uncertainty of our measurements. Therefore, we derive a more precise radius value by averaging these values. At one astronomical unit, we obtain 959.79 arcseconds (arcsec) from the bolometric experiment; from PREMOS measurements, we obtain 959.78 arcsec at 782 nm and 959.76 arcsec at 535 nm. We found 960.07 arcsec at 210 nm, which is a higher value than the other determinations given the photons at this wavelength originate from the upper photosphere and lower chromosphere. We also give a detailed comparison of our results with those previously published using measurements from space-based and ground-based instruments using the Moon angular radius reference, and different methods. Conclusions: Our results, which use the Moon as an absolute calibration, clearly show the dependence of the solar disc radius with wavelength in UV, visible and near-IR. Beyond the metrological results, solar disc radius measurements will allow the accuracy of models of the solar atmosphere to be tested. Proposed systematic variations of the solar disc radius during the time of observation would be smaller than the uncertainty of our measurement, which amounts to less than 26 milliarcseconds.

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.

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.

Mechanical Properties of Lightweight Porous Magnesium Processed Through Powder Metallurgy

NASA Astrophysics Data System (ADS)

Zou, Ning; Li, Qizhen

2018-02-01

Porous magnesium (Mg) samples with various overall porosities (28.4 ± 1.8%, 35.5 ± 2.5%, 45.4 ± 1.9%, and 62.4 ± 2.2%) were processed through powder metallurgy and characterized to study their mechanical properties. Different porosities were obtained by utilizing different mass fractions of space holder camphene. Camphene was removed by sublimation before sintering and contributed to processing porous Mg with high purity and small average pore size. The average pore size increased from 5.2 µm to 15.1 µm with increase of the porosity from 28.4 ± 1.8% to 62.4 ± 2.2%. Compressive strain-stress data showed that the strain hardening rate, yield strength, and ultimate compressive strength decreased with increase of the porosity. The theoretical yield strength of porous Mg obtained using the Gibson-Ashby model agreed with experimental data.

Influence of functionally graded pores on bone ingrowth in cementless hip prosthesis: a finite element study using mechano-regulatory algorithm.

PubMed

Tarlochan, Faris; Mehboob, Hassan; Mehboob, Ali; Chang, Seung-Hwan

2018-06-01

Cementless hip prostheses with porous outer coating are commonly used to repair the proximally damaged femurs. It has been demonstrated that stability of prosthesis is also highly dependent on the bone ingrowth into the porous texture. Bone ingrowth is influenced by the mechanical environment produced in the callus. In this study, bone ingrowth into the porous structure was predicted by using a mechano-regulatory model. Homogenously distributed pores (200 and 800 [Formula: see text]m in diameter) and functionally graded pores along the length of the prosthesis were introduced as a porous coating. Bone ingrowth was simulated using 25 and 12 [Formula: see text]m micromovements. Load control simulations were carried out instead of traditionally used displacement control. Spatial and temporal distributions of tissues were predicted in all cases. Functionally graded pore decreasing models gave the most homogenous bone distribution, the highest bone ingrowth (98%) with highest average Young's modulus of all tissue phenotypes approximately 4.1 GPa. Besides this, the volume of the initial callus increased to 8.33% in functionally graded pores as compared to the 200 [Formula: see text]m pore size models which increased the bone volume. These findings indicate that functionally graded porous surface promote bone ingrowth efficiently which can be considered to design of surface texture of hip prosthesis.

Silk fibroin scaffolds with inverse opal structure for bone tissue engineering

PubMed Central

Sommer, Marianne R.; Vetsch, Jolanda R.; Leemann, Jessica; Müller, Ralph

2016-01-01

Abstract How scaffold porosity, pore diameter and geometry influence cellular behavior is‐although heavily researched ‐ merely understood, especially in 3D. This is mainly caused by a lack of suitable, reproducible scaffold fabrication methods, with processes such as gas foaming, lyophilization or particulate leaching still being the standard. Here we propose a method to generate highly porous silk fibroin scaffolds with monodisperse spherical pores, namely inverse opals, and study their effect on cell behavior. These silk fibroin inverse opal scaffolds were compared to salt‐leached silk fibroin scaffolds in terms of human mesenchymal stem cell response upon osteogenic differentiation signals. While cell number remained similar on both scaffold types, extracellular matrix mineralization nearly doubled on the newly developed scaffolds, suggesting a positive effect on cell differentiation. By using the very same material with comparable average pore diameters, this increase in mineral content can be attributed to either the differences in pore diameter distribution or the pore geometry. Although the exact mechanisms leading to enhanced mineralization in inverse opals are not yet fully understood, our results indicate that control over pore geometry alone can have a major impact on the bioactivity of a scaffold toward stem cell differentiation into bone tissue. © 2016 The Authors Journal of Biomedical Materials Research Part B: Applied Biomaterials Published by Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 2074–2084, 2017. PMID:27407014

Growth control of carbon nanotubes using by anodic aluminum oxide nano templates.

PubMed

Park, Yong Seob; Choi, Won Seek; Yi, Junsin; Lee, Jaehyeong

2014-05-01

Anodic Aluminum Oxide (AAO) template prepared in acid electrolyte possess regular and highly anisotropic porous structure with pore diameter range from five to several hundred nanometers, and with a density of pores ranging from 10(9) to 10(11) cm(-2). AAO can be used as microfilters and templates for the growth of CNTs and metal or semiconductor nanowires. Varying anodizing conditions such as temperature, electrolyte, applied voltage, anodizing and widening time, one can control the diameter, the length, and the density of pores. In this work, we deposited Al thin film by radio frequency magnetron sputtering method to fabricate AAO nano template and synthesized multi-well carbon nanotubes on a glass substrate by microwave plasma-enhanced chemical vapor deposition (MPECVD). AAO nano-porous templates with various pore sizes and depths were introduced to control the dimension and density of CNT arrays. The AAO nano template was synthesize on glass by two-step anodization technique. The average diameter and interpore distance of AAO nano template are about 65 nm and 82 nm. The pore density and AAO nano template thickness are about 2.1 x 10(10) pores/cm2 and 1 microm, respectively. Aligned CNTs on the AAO nano template were synthesized by MPECVD at 650 degrees C with the Ni catalyst layer. The length and diameter of CNTs were grown 2 microm and 50 nm, respectively.

Welded tuff porosity characterization using mercury intrusion, nitrogen and ethylene glycol monoethyl ether sorption and epifluorescence microscopy

USGS Publications Warehouse

Reddy, M.M.; Claassen, H.C.; Rutherford, D.W.; Chiou, C.T.

1994-01-01

Porosity of welded tuff from Snowshoe Mountain, Colorado, was characterized by mercury intrusion porosimetry (MIP), nitrogen sorption porosimetry, ethylene glycol monoethyl ether (EGME) gas phase sorption and epifluorescence optical microscopy. Crushed tuff of two particle-size fractions (1-0.3 mm and less than 0.212 mm), sawed sections of whole rock and crushed tuff that had been reacted with 0.1 N hydrochloric acid were examined. Average MIP pore diameter values were in the range of 0.01-0.02??m. Intrusion volume was greatest for tuff reacted with 0.1 N hydrochloric acid and least for sawed tuff. Cut rock had the smallest porosity (4.72%) and crushed tuff reacted in hydrochloric acid had the largest porosity (6.56%). Mean pore diameters from nitrogen sorption measurements were 0.0075-0.0187 ??m. Nitrogen adsorption pore volumes (from 0.005 to 0.013 cm3/g) and porosity values (from 1.34 to 3.21%) were less than the corresponding values obtained by MIP. More than half of the total tuff pore volume was associated with pore diameters < 0.05??m. Vapor sorption of EGME demonstrated that tuff pores contain a clay-like material. Epifluorescence microscopy indicated that connected porosity is heterogeneously distributed within the tuff matix; mineral grains had little porosity. Tuff porosity may have important consequences for contaminant disposal in this host rock. ?? 1994.

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.

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.

Internal fixation of pilon fractures of the distal radius.

PubMed Central

Trumble, T. E.; Schmitt, S. R.; Vedder, N. B.

1993-01-01

When closed manipulation fails to restore articular congruity in comminuted, displaced fractures of the distal radius, open reduction and internal fixation is required. Results of surgical stabilization and articular reconstruction of these injuries are reviewed in this retrospective study of 49 patients with 52 displaced, intra-articular distal radius fractures. Forty-three patients (87%) with a mean age of 37 years (range of 17 to 79 years) were available for evaluation. The mean follow-up time was 38 months (range 22-69 months). When rated according to the Association for the Study of Internal Fixation (ASIF), 19 were type C2 and 21 were type C3. We devised an Injury Score System based on the initial injury radiographs to classify severely comminuted intra-articular fractures and to identify those associated with carpal injury (3 patients). Post-operative fracture alignment, articular congruity, and radial length were significantly improved following surgery (p < .01). Grip strength averaged 69% +/- 22% of the contralateral side, and the range of motion averaged 75% +/- 18% of the contralateral side post-operatively. A combined outcome rating system that included grip strength, range of motion, and pain relief averaged 76% +/- 19% of the contralateral side. There was a statistically significant decrease in the combined rating with more severe fracture patterns as defined by the ASIF system (p < .01), Malone classification (p < .03), and the Injury Score System (p < .001). The Injury Score System presented here, and in particular the number of fracture fragments, correlated most closely with outcome of all the classification systems studied. Operative treatment of these distal radius fractures with reconstruction of the articular congruity and correction of the articular surface alignment with internal fixation and/or external fixation, can significantly improve the radiographic alignment and functional outcome. Furthermore, the degree to which articular stepoff, gap between fragments, and radial shortening are improved by surgery is strongly correlated with improved outcome, even when the results are corrected for severity of initial injury, whereas correction of radial tilt or dorsal tilt did not correlate with improved outcome. Images Figure 2 PMID:8209554

Deterministic estimate of hypocentral pore fluid pressure of the M5.8 Pawnee, Oklahoma earthquake: Lower pre-injection pressure requires lower resultant pressure for slip

NASA Astrophysics Data System (ADS)

Levandowski, W. B.; Walsh, F. R. R.; Yeck, W.

2016-12-01

Quantifying the increase in pore-fluid pressure necessary to cause slip on specific fault planes can provide actionable information for stakeholders to potentially mitigate hazard. Although the M5.8 Pawnee earthquake occurred on a previously unmapped fault, we can retrospectively estimate the pore-pressure perturbation responsible for this event. We first estimate the normalized local stress tensor by inverting focal mechanisms surrounding the Pawnee Fault. Faults are generally well oriented for slip, with instabilities averaging 96% of maximum. Next, with an estimate of the weight of local overburden we solve for the pore pressure needed at the hypocenters. Specific to the Pawnee fault, we find that hypocentral pressure 43-104% of hydrostatic (accounting for uncertainties in all relevant parameters) would have been sufficient to cause slip. The dominant source of uncertainty is the pressure on the fault prior to fluid injection. Importantly, we find that lower pre-injection pressure requires lower resultant pressure to cause slip, decreasing from a regional average of 30% above hydrostatic pressure if the hypocenters begin at hydrostatic pressure to 6% above hydrostatic pressure with no pre-injection fluid. This finding suggests that underpressured regions such as northern Oklahoma are predisposed to injection-induced earthquakes. Although retrospective and forensic, similar analyses of other potentially induced events and comparisons to natural earthquakes will provide insight into the relative importance of fault orientation, the magnitude of the local stress field, and fluid-pressure migration in intraplate seismicity.

Upper Paleozoic Marine Shale Characteristics and Exploration Prospects in the Northwestern Guizhong Depression, South China

NASA Astrophysics Data System (ADS)

Zhu, Zhenhong; Yao, Genshun; Lou, Zhanghua; Jin, Aimin; Zhu, Rong; Jin, Chong; Chen, Chao

2018-05-01

Multiple sets of organic-rich shales developed in the Upper Paleozoic of the northwestern Guizhong Depression in South China. However, the exploration of these shales is presently at a relatively immature stage. The Upper Paleozoic shales in the northwestern Guizhong Depression, including the Middle Devonian Luofu shale, the Nabiao shale, and the Lower Carboniferous Yanguan shale, were investigated in this study. Mineral composition analysis, organic matter analysis (including total organic carbon (TOC) content, maceral of kerogen and the vitrinite reflection (Ro)), pore characteristic analysis (including porosity and permeability, pore type identification by SEM, and pore size distribution by nitrogen sorption), methane isothermal sorption test were conducted, and the distribution and thickness of the shales were determined, Then the characteristics of the two target shales were illustrated and compared. The results show that the Upper Paleozoic shales have favorable organic matter conditions (mainly moderate to high TOC content, type I and II1 kerogen and high to over maturity), good fracability potential (brittleness index (BI) > 40%), multiple pore types, stable distribution and effective thickness, and good methane sorption capacity. Therefore, the Upper Paleozoic shales in the northern Guizhong Depression have good shale gas potential and exploration prospects. Moreover, the average TOC content, average BI, thickness of the organic-rich shale (TOC > 2.0 wt%) and the shale gas resources of the Middle Devonian shales are better than those of the Lower Carboniferous shale. The Middle Devonian shales have better shale gas potential and exploration prospects than the Lower Carboniferous shales.

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

Tammas-Williams, S., E-mail: Samuel.tammas-wiliams@manchester.ac.uk; Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD; Zhao, H.

Selective Electron Beam Melting (SEBM) is a promising powder bed Additive Manufacturing technique for near-net-shape manufacture of high-value titanium components. However without post-manufacture HIPing the fatigue life of SEBM parts is currently dominated by the presence of porosity. In this study, the size, volume fraction, and spatial distribution of the pores in model samples have been characterised in 3D, using X-ray Computed Tomography, and correlated to the process variables. The average volume fraction of the pores (< 0.2%) was measured to be lower than that usually observed in competing processes, such as selective laser melting, but a strong relationship wasmore » found with the different beam strategies used to contour, and infill by hatching, a part section. The majority of pores were found to be small spherical gas pores, concentrated in the infill hatched region; this was attributed to the lower energy density and less focused beam used in the infill strategy allowing less opportunity for gas bubbles to escape the melt pool. Overall, increasing the energy density or focus of the beam was found to correlate strongly to a reduction in the level of gas porosity. Rarer irregular shaped pores were mostly located in the contour region and have been attributed to a lack of fusion between powder particles. - Graphical abstract: Display Omitted - Highlights: • Vast majority of defects detected were small spherical gas pores. • Gas bubbles trapped in the powder granules expand and coalesce in the melt pool. • Pores have been shown not to be randomly distributed. • Larger and deeper melt pools give more opportunity for gas to escape. • Minor changes to melt strategy result in significant reductions in pore population.« less

Fine tuning of nanopipettes using atomic layer deposition for single molecule sensing.

PubMed

Sze, Jasmine Y Y; Kumar, Shailabh; Ivanov, Aleksandar P; Oh, Sang-Hyun; Edel, Joshua B

2015-07-21

Nanopipettes are an attractive single-molecule tool for identification and characterisation of nucleic acids and proteins in solutions. They enable label-free analysis and reveal individual molecular properties, which are generally masked by ensemble averaging. Having control over the pore dimensions is vital to ensure that the dimensions of the molecules being probed match those of the pore for optimization of the signal to noise. Although nanopipettes are simple and easy to fabricate, challenges exist, especially when compared to more conventional solid-state analogues. For example, a sub-20 nm pore diameter can be difficult to fabricate and the batch-to-batch reproducibility is often poor. To improve on this limitation, atomic layer deposition (ALD) is used to deposit ultrathin layers of alumina (Al2O3) on the surface of the quartz nanopipettes enabling sub-nm tuning of the pore dimensions. Here, Al2O3 with a thickness of 8, 14 and 17 nm was deposited onto pipettes with a starting pore diameter of 75 ± 5 nm whilst a second batch had 5 and 8 nm Al2O3 deposited with a starting pore diameter of 25 ± 3 nm respectively. This highly conformal process coats both the inner and outer surfaces of pipettes and resulted in the fabrication of pore diameters as low as 7.5 nm. We show that Al2O3 modified pores do not interfere with the sensing ability of the nanopipettes and can be used for high signal-to-noise DNA detection. ALD provides a quick and efficient (batch processing) for fine-tuning nanopipettes for a broad range of applications including the detection of small biomolecules like RNA, aptamers and DNA-protein interactions at the single molecule level.

A systematic comparison of two-equation Reynolds-averaged Navier-Stokes turbulence models applied to shock-cloud interactions

NASA Astrophysics Data System (ADS)

Goodson, Matthew D.; Heitsch, Fabian; Eklund, Karl; Williams, Virginia A.

2017-07-01

Turbulence models attempt to account for unresolved dynamics and diffusion in hydrodynamical simulations. We develop a common framework for two-equation Reynolds-averaged Navier-Stokes turbulence models, and we implement six models in the athena code. We verify each implementation with the standard subsonic mixing layer, although the level of agreement depends on the definition of the mixing layer width. We then test the validity of each model into the supersonic regime, showing that compressibility corrections can improve agreement with experiment. For models with buoyancy effects, we also verify our implementation via the growth of the Rayleigh-Taylor instability in a stratified medium. The models are then applied to the ubiquitous astrophysical shock-cloud interaction in three dimensions. We focus on the mixing of shock and cloud material, comparing results from turbulence models to high-resolution simulations (up to 200 cells per cloud radius) and ensemble-averaged simulations. We find that the turbulence models lead to increased spreading and mixing of the cloud, although no two models predict the same result. Increased mixing is also observed in inviscid simulations at resolutions greater than 100 cells per radius, which suggests that the turbulent mixing begins to be resolved.

A statistical study of gyro-averaging effects in a reduced model of drift-wave transport

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

Fonseca, Julio; Del-Castillo-Negrete, Diego B.; Sokolov, Igor M.

2016-08-25

Here, a statistical study of finite Larmor radius (FLR) effects on transport driven by electrostatic driftwaves is presented. The study is based on a reduced discrete Hamiltonian dynamical system known as the gyro-averaged standard map (GSM). In this system, FLR effects are incorporated through the gyro-averaging of a simplified weak-turbulence model of electrostatic fluctuations. Formally, the GSM is a modified version of the standard map in which the perturbation amplitude, K 0, becomes K 0J 0(more » $$\\hat{p}$$), where J 0 is the zeroth-order Bessel function and $$\\hat{p}$$ s the Larmor radius. Assuming a Maxwellian probability density function (pdf) for $$\\hat{p}$$ , we compute analytically and numerically the pdf and the cumulative distribution function of the effective drift-wave perturba- tion amplitude K 0J 0($$\\hat{p}$$). Using these results, we compute the probability of loss of confinement (i.e., global chaos), P c provides an upper bound for the escape rate, and that P t rovides a good estimate of the particle trapping rate. Lastly. the analytical results are compared with direct numerical Monte-Carlo simulations of particle transport.« less

Speciation and isotopic exchangeability of nickel in soil solution.

PubMed

Nolan, Annette L; Ma, Yibing; Lombi, Enzo; McLaughlin, Mike J

2009-01-01

Knowledge of trace metal speciation in soil pore waters is important in addressing metal bioavailability and risk assessment of contaminated soils. In this study, free Ni(2+) activities were determined in pore waters of long-term Ni-contaminated soils using a Donnan dialysis membrane technique. The pore water free Ni(2+) concentration as a percentage of total soluble Ni ranged from 21 to 80% (average 53%), and the average amount of Ni bound to dissolved organic matter estimated by Windermere Humic Aqueous Model VI was < or = 17%. These data indicate that complexed forms of Ni can constitute a significant fraction of total Ni in solution. Windermere Humic Aqueous Model VI provided reasonable estimates of free Ni(2+) fractions in comparison to the measured fractions (R(2) = 0.83 with a slope of 1.0). Also, the isotopically exchangeable pools (E value) of soil Ni were measured by an isotope dilution technique using water extraction, with and without resin purification, and 0.1 mol L(-1) CaCl(2) extraction, and the isotopic exchangeability of Ni species in soil water extracts was investigated. The concentrations of isotopically non-exchangeable Ni in water extracts were <9% of total water soluble Ni concentrations for all soils. The resin E values expressed as a percentage of the total Ni concentrations in soil showed that the labile Ni pool ranged from 0.9 to 32.4% (average 12.4%) of total soil Ni. Therefore the labile Ni pool in these well-equilibrated contaminated soils appears to be relatively small in relation to total Ni concentrations.

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

Kaithakkal, A. J.; Riethmüller, T. L.; Solanki, S. K.

Spectropolarimetric observations from Sunrise/IMaX, obtained in 2013 June, are used for a statistical analysis to determine the physical properties of moving magnetic features (MMFs) observed near a pore. MMFs of the same and opposite polarity, with respect to the pore, are found to stream from its border at an average speed of 1.3 km s{sup −1} and 1.2 km s{sup −1}, respectively, with mainly same-polarity MMFs found further away from the pore. MMFs of both polarities are found to harbor rather weak, inclined magnetic fields. Opposite-polarity MMFs are blueshifted, whereas same-polarity MMFs do not show any preference for up- or downflows.more » Most of the MMFs are found to be of sub-arcsecond size and carry a mean flux of ∼1.2 × 10{sup 17} Mx.« less

Quasielastic neutron scattering study of water confined in carbon nanopores

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

Chathoth, S. M.; Mamontov, E.; Kolesnikov, A. I.

2011-07-26

Microscopic dynamics of water confined in nanometer and sub-nanometer pores of carbide-derived carbon (CDC) were investigated using quasielastic neutron scattering (QENS). The temperature dependence of the average relaxation time, ‹τ›, exhibits super-Arrhenius behavior that could be described by Vogel-Fulcher-Tammann (VFT) law in the range from 250 K to 190 K; below this temperature, ‹τ› follows Arrhenius temperature dependence. The temperature of the dynamic crossover between the two regimes in water confined in the CDC pores is similar to that observed for water in hydrophobic confinement of the larger size, such as 14 Å ordered mesoporous carbon (CMK) and 16 Åmore » double-wall carbon nanotubes. Thus, the dynamical behavior of water remains qualitatively unchanged even in the very small hydrophobic pores.« less

A new model for the (geo)magnetic power spectrum, with application to planetary dynamo radii

NASA Astrophysics Data System (ADS)

Langlais, Benoit; Amit, Hagay; Larnier, Hugo; Thébault, Erwan; Mocquet, Antoine

2014-09-01

We propose two new analytical expressions to fit the Mauersberger-Lowes geomagnetic field spectrum at the core-mantle boundary. These can be used to estimate the radius of the outer liquid core where the geodynamo operates, or more generally the radius of the planetary dynamo regions. We show that two sub-families of the geomagnetic field are independent of spherical harmonics degree n at the core-mantle boundary and exhibit flat spectra. The first is the non-zonal field, i.e., for spherical harmonics order m different from zero. The second is the quadrupole family, i.e., n+m even. The flatness of their spectra is motivated by the nearly axisymmetric time-average paleomagnetic field (for the non-zonal field) and the dominance of rotational effects in core dynamics (for the quadrupole family). We test our two expressions with two approaches using the reference case of the Earth. First we estimate at the seismic core radius the agreement between the actual spectrum and the theoretical one. Second we estimate the magnetic core radius, where the spectrum flattens. We show that both sub-families offer a better agreement with the actual spectrum compared with previously proposed analytical expressions, and predict a magnetic core radius within less than 10 km of the Earth's seismic core radius. These new expressions supersede previous ones to infer the core radius from geomagnetic field information because the low degree terms are not ignored. Our formalism is then applied to infer the radius of the dynamo regions on Jupiter, Saturn, Uranus and Neptune. The axisymmetric nature of the magnetic field of Saturn prevents the use of the non-zonal expression. For the three other planets both expressions converge and offer independent constraints on the internal structure of these planets. These non-zonal and quadrupole family expressions may be implemented to extrapolate the geomagnetic field spectrum beyond observable degrees, or to further regularize magnetic field models constructed from modern or historical observations.

Polystyrene-Divinylbenzene-Based Adsorbents Reduce Endothelial Activation and Monocyte Adhesion Under Septic Conditions in a Pore Size-Dependent Manner.

PubMed

Eichhorn, Tanja; Rauscher, Sabine; Hammer, Caroline; Gröger, Marion; Fischer, Michael B; Weber, Viktoria

2016-10-01

Endothelial activation with excessive recruitment and adhesion of immune cells plays a central role in the progression of sepsis. We established a microfluidic system to study the activation of human umbilical vein endothelial cells by conditioned medium containing plasma from lipopolysaccharide-stimulated whole blood or from septic blood and to investigate the effect of adsorption of inflammatory mediators on endothelial activation. Treatment of stimulated whole blood with polystyrene-divinylbenzene-based cytokine adsorbents (average pore sizes 15 or 30 nm) prior to passage over the endothelial layer resulted in significantly reduced endothelial cytokine and chemokine release, plasminogen activator inhibitor-1 secretion, adhesion molecule expression, and in diminished monocyte adhesion. Plasma samples from sepsis patients differed substantially in their potential to induce endothelial activation and monocyte adhesion despite their almost identical interleukin-6 and tumor necrosis factor-alpha levels. Pre-incubation of the plasma samples with a polystyrene-divinylbenzene-based adsorbent (30 nm average pore size) reduced endothelial intercellular adhesion molecule-1 expression to baseline levels, resulting in significantly diminished monocyte adhesion. Our data support the potential of porous polystyrene-divinylbenzene-based adsorbents to reduce endothelial activation under septic conditions by depletion of a broad range of inflammatory mediators.

Small-Sized Mg–Al LDH Nanosheets Supported on Silica Aerogel with Large Pore Channels: Textural Properties and Basic Catalytic Performance after Activation

PubMed Central

Wang, Yusen; Wang, Xiaoxia; Feng, Xiaolan; Ye, Xiao; Fu, Jie

2018-01-01

Layered double hydroxides (LDHs) have been widely used as an important subset of solid base catalysts. However, developing low-cost, small-sized LDH nanoparticles with enhanced surface catalytic sites remains a challenge. In this work, silica aerogel (SA)-supported, small-sized Mg–Al LDH nanosheets were successfully prepared by one-pot coprecipitation of Mg and Al ions in an alkaline suspension of crushed silica aerogel. The supported LDH nanosheets were uniformly dispersed in the SA substrate with the smallest average radial diameter of 19.2 nm and the thinnest average thickness of 3.2 nm, both dimensions being significantly less than those of the vast majority of LDH nanoparticles reported. The SA/LDH composites also showed large pore volume (up to 1.3 cm3·g) and pore diameter (>9 nm), and therefore allow efficient access of reactants to the edge catalytic sites of LDH nanosheets. In a base-catalyzed Henry reaction of benzaldehyde with nitromethane, the SA/LDH catalysts showed high reactant conversions and favorable stability in 6 successive cycles of reactions. The low cost of the SA carrier and LDH precursors, easy preparation method, and excellent catalytic properties make these SA/LDH composites a competitive example of solid-base catalysts. PMID:29462941

Small-Sized Mg-Al LDH Nanosheets Supported on Silica Aerogel with Large Pore Channels: Textural Properties and Basic Catalytic Performance after Activation.

PubMed

Wang, Lijun; Wang, Yusen; Wang, Xiaoxia; Feng, Xiaolan; Ye, Xiao; Fu, Jie

2018-02-16

Layered double hydroxides (LDHs) have been widely used as an important subset of solid base catalysts. However, developing low-cost, small-sized LDH nanoparticles with enhanced surface catalytic sites remains a challenge. In this work, silica aerogel (SA)-supported, small-sized Mg-Al LDH nanosheets were successfully prepared by one-pot coprecipitation of Mg and Al ions in an alkaline suspension of crushed silica aerogel. The supported LDH nanosheets were uniformly dispersed in the SA substrate with the smallest average radial diameter of 19.2 nm and the thinnest average thickness of 3.2 nm, both dimensions being significantly less than those of the vast majority of LDH nanoparticles reported. The SA/LDH composites also showed large pore volume (up to 1.3 cm3·g) and pore diameter (>9 nm), and therefore allow efficient access of reactants to the edge catalytic sites of LDH nanosheets. In a base-catalyzed Henry reaction of benzaldehyde with nitromethane, the SA/LDH catalysts showed high reactant conversions and favorable stability in 6 successive cycles of reactions. The low cost of the SA carrier and LDH precursors, easy preparation method, and excellent catalytic properties make these SA/LDH composites a competitive example of solid-base catalysts.

Translational diffusion of water inside hydrophobic carbon micropores studied by neutron spectroscopy and molecular dynamics simulation

DOE PAGES

Diallo, S. O.; Vlcek, L.; Mamontov, E.; ...

2015-02-17

When water molecules are confined to nanoscale spacings, such as in the nanometer-size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low temperatures (~150 K), leading to a metastable liquid state with remarkable physical properties. Here we have investigated the ambient pressure diffusive dynamics of water in microporous Kynol ACF-10 (average pore size ~11.6 Å, with primarily slit-like pores) from temperature T = 280 K in its stable liquid state down to T = 230 K into the metastable supercooled phase. The observed characteristic relaxation times and diffusion coefficients are found to be, respectively, higher and lower than those in bulk water, indicating a slowing down of the water mobility with decreasing temperature. The observed temperature-dependent average relaxation time (more » $${{\\tau}}$$) when compared to previous findings indicate that it is the width of the slit pores-not their curvature-that primarily affects the dynamics of water for pore sizes larger than 10 Å. The experimental observations are compared to complementary molecular dynamics simulations of a model system, in which we studied the diffusion of water within the 11.6 Å gap of two parallel graphene sheets. We find generally a reasonable agreement between the observed and calculated relaxation times at the low momentum transfer Q (Q ≤ 0.9 Å -1). At high Q, however, where localized dynamics becomes relevant, this ideal system does not satisfactorily reproduce the measurements. Consequently, the simulations are compared to the experiments at low Q, where the two can be best reconciled. The best agreement is obtained for the diffusion parameter D associated with the hydrogen-site when a representative stretched exponential function, rather than the standard bimodal exponential model, is used to parametrize the self-correlation function I (Q,t).« less

Threading dynamics of a polymer through parallel pores: Potential applications to DNA size separation

NASA Astrophysics Data System (ADS)

Åkerman, Björn

1997-04-01

DNA orientation measurements by linear dichroism (LD) spectroscopy and single molecule imaging by fluorescence microscopy are used to investigate the effect of DNA size (71-740 kilo base pairs) and field strength E (1-5.9 V/cm) on the conformation dynamics during the field-driven threading of DNA molecules through a set of parallel pores in agarose gels, with average pore radii between 380 Å and 1400 Å. Locally relaxed but globally oriented DNA molecules are subjected to a perpendicular field, and the observed LD time profile is compared with a recent theory for the threading [D. Long and J.-L. Viovy, Phys. Rev. E 53, 803 (1996)] which assumes the same initial state. As predicted the DNA is driven by the ends into a U-form, leading to an overshoot in the LD. The overshoot-time scales as E-(1.2-1.4) as predicted, but grows more slowly with DNA size than the predicted linear dependence. For long molecules loops form initially in the threading process but are finally consumed by the ends, and the process of transfer of DNA segments, from the loops to the arms of the U, leads to a shoulder in the LD as predicted. The critical size below which loops do not form (as indicated by the LD shoulder being absent) is between 71 and 105 kbp (0.5% agarose, 5.9 V/cm), and considerably larger than predicted because in the initial state the DNA molecules are housed in gel cavities with effective pore sizes about four times larger than the average pore size. From the data, the separation of DNA by exploiting the threading dynamics in pulsed fields [D. Long et al., CR Acad. Sci. Paris, Ser. IIb 321, 239 (1995)] is shown to be feasible in principle in an agarose-based system.

Injectable and porous PLGA microspheres that form highly porous scaffolds at body temperature.

PubMed

Qutachi, Omar; Vetsch, Jolanda R; Gill, Daniel; Cox, Helen; Scurr, David J; Hofmann, Sandra; Müller, Ralph; Quirk, Robin A; Shakesheff, Kevin M; Rahman, Cheryl V

2014-12-01

Injectable scaffolds are of interest in the field of regenerative medicine because of their minimally invasive mode of delivery. For tissue repair applications, it is essential that such scaffolds have the mechanical properties, porosity and pore diameter to support the formation of new tissue. In the current study, porous poly(dl-lactic acid-co-glycolic acid) (PLGA) microspheres were fabricated with an average size of 84±24μm for use as injectable cell carriers. Treatment with ethanolic sodium hydroxide for 2min was observed to increase surface porosity without causing the microsphere structure to disintegrate. This surface treatment also enabled the microspheres to fuse together at 37°C to form scaffold structures. The average compressive strength of the scaffolds after 24h at 37°C was 0.9±0.1MPa, and the average Young's modulus was 9.4±1.2MPa. Scaffold porosity levels were 81.6% on average, with a mean pore diameter of 54±38μm. This study demonstrates a method for fabricating porous PLGA microspheres that form solid porous scaffolds at body temperature, creating an injectable system capable of supporting NIH-3T3 cell attachment and proliferation in vitro. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

The effects of magnetic structure on the conduction cooling of flare loops

NASA Technical Reports Server (NTRS)

Van Hoven, G.

1979-01-01

A model of the sheared magnetic field in a coronal loop is used to evaluate the average cross-field suppression of axial thermal conduction. If the energy source is uniform in radius, this can lead to heat-flux reduction by a factor greater than three. When the source is annular, in a region of radius where the current density and shear are peaked, the effect can be significantly larger. In one extreme case, however, in which magnetic tearing provides the heating in a very narrow layer, the spatial resonance of the source excitation in a long loop leads to approximately axial conduction.

From statistics of regular tree-like graphs to distribution function and gyration radius of branched polymers

NASA Astrophysics Data System (ADS)

Grosberg, Alexander Y.; Nechaev, Sergei K.

2015-08-01

We consider flexible branched polymer, with quenched branch structure, and show that its conformational entropy as a function of its gyration radius R, at large R, obeys, in the scaling sense, Δ S˜ {R}2/({a}2L), with a bond length (or Kuhn segment) and L defined as an average spanning distance. We show that this estimate is valid up to at most the logarithmic correction for any tree. We do so by explicitly computing the largest eigenvalues of Kramers matrices for both regular and ‘sparse’ three-branched trees, uncovering on the way their peculiar mathematical properties.

Microinclusions in polycrystalline diamonds: insights into processes of diamond formation

NASA Astrophysics Data System (ADS)

Jacob, D. E.; Wirth, R.; Enzmann, F.; Schwarz, J. O.; Kronz, A.

2009-04-01

Polycrystalline diamond aggregates (framesites) contain silicates of eclogitic and peridotitic affinity (e.g. Kurat and Dobosi, 2000). The minerals occur mostly in interstices and are intimately intergrown with the diamonds, indicating contemporaneous crystallization within the diamond stability field in the Earth's mantle. In addition to silicates, rarer phases such as Fe-carbide can sometimes be found in framesites that record unusually low local oxygen fugacity at the time of their formation (Jacob et al., 2004). Furthermore, while most gem-sized diamonds have old, often Archaean formation ages, some polycrystalline diamond aggregates have been shown to form directly preceding the kimberlite eruption (Jacob et al., 2000). Thus, these samples may provide a unique source of information on the nature and timing of small scale processes that lead to diamond formation and complement evidence from gem-sized diamonds. Here, we present a study of micro- and nano-inclusions in diamonds from a polycrystalline diamond aggregate (framesite) from the Orapa Mine (Botswana) and combine results from TEM/FIB analyses with high-resolution computerized micro-tomography (HR-µCT) and electron microprobe analyses to further constrain the formation of diamond in the Earth's mantle. Results In total, 14 microinclusions from fifteen FIB foils were investigated. Micro- and nano-inclusions identified by TEM were smaller than 1µm down to ca. 50nm in size, and are both monomineralic and multi-phase. The cavities are often lath-shaped and oriented parallel to each other; many show lattice dislocations in the surrounding diamond. In addition, inclusions are found along open cracks within the diamond single crystals. Mineral phases in the microinclusions comprise rutile, omphacite and a FeS phase (pyrrhotite). The multiphase inclusions most often consist of cavities that are only partly occupied (less than 50% of the total space), suggesting that the empty space was originally filled by a fluid. One multiphase inclusion was found to be still fluid-bearing, showing characteristic continuous changes in diffraction contrast due to density fluctuations caused by the electron beam. No other elements than carbon were detected during AEM of this area which suggests that the fluid consists of relatively pure C-H-O species. In addition to the fluid, this inclusion contained fine-grained FeS, a silicate phase rich in Fe, P, Mg, Al, Ca and K and a quench phase, rich in Fe, P and Si. Macroinclusions (>5µm) are magnetite, often surrounded by hematite, FeS, low-Cr garnet (Py50Alm39Grs11) and omphacite (Jd23). Garnet and cpx were found as non-touching inclusions and yield 1256°C at 5 GPa. Most of the magnetite inclusions are single crystals and some are strongly deformed with signs of recrystallization. Hematite occurs as porous aggregates of nano-granules of ca. 5-7 nm sizes. High Resolution µ-Computer Tomography (HR-µCT) shows pores in the sample and the included mineral phases as areas of differing grey-values. These are a direct function of the specific x-ray density of the specific phase and can be used to differentiate oxides and silicates. Based on the 3D tomogram, the amount of pores per total volume of the diamond plus inclusion matrix is calculated to be 0.65 vol%, while magnetite inclusions amount to 3.16 vol%. The average equivalent radius of the magnetite grains (radius of a sphere with the same volume as the grain) is 17.8 µm, while that of the pores is 12.6µm. Discussion The occurrence of omphacite, rutile and FeS as microinclusions within the diamond crystals clearly shows that these phases are cogenetic to the diamonds. However, magnetite and hematite were only encountered as large inclusions in cavities that appear to be interstitial porosity. Moreover, analysis of the equivalent radius distribution of the pores and the magnetite inclusions derived from HR-µCT shows a complete overlap of the mode, indicating that magnetite preferentially fills the porosity in the sample. Furthermore, hematite occurs exclusively along the outer rim of the magnetite crystals and textural features suggest that this phase is a late replacement product of magnetite. This shows that the magnetite-bearing cavities were not shielded from the outside by the host diamond and may indicate that magnetite itself was introduced after diamond formation or during a secondary event that may still, however, have taken place at PT conditions of the diamond stability field. The microinclusion suite described here is distinct from that found in fibrous (e.g. Klein-BenDavid et al., 2007) and in microdiamonds (Kvasnytsya et al., 2006). Carbonates, halides and phosphates, that are typical for fibrous and microdiamonds were not encountered in our study. Instead, the microinclusion suite found in the framesite consists of the typical eclogitic minerals (rutile, garnet, omphacite, sulphide) plus a C-H-O fluid. Jacob et al., 2004. Contrib. Mineral. Petrol., 146, 566-576. Jacob et al., 2000. Science, 289, 1182-1185. Klein-BenDavid et al., 2007. Amer. Mineral. 91, 353-365. Kurat and Dobosi, 2000. Mineral. Petrol. 69, 143-159. Kvasnytsya et al., 2006. Ukrainian Geologist 2, 25-36.

42 CFR 456.522 - Content of request for variance.

Code of Federal Regulations, 2010 CFR

2010-10-01

... SERVICES (CONTINUED) MEDICAL ASSISTANCE PROGRAMS UTILIZATION CONTROL Utilization Review Plans: FFP, Waivers, and Variances for Hospitals and Mental Hospitals Ur Plan: Remote Facility Variances from Time..., mental hospital, and ICF located within a 50-mile radius of the facility; (e) The distance and average...

Foliar and woody materials discriminated using terrestrial LiDAR in a mixed natural forest

NASA Astrophysics Data System (ADS)

Zhu, Xi; Skidmore, Andrew K.; Darvishzadeh, Roshanak; Niemann, K. Olaf; Liu, Jing; Shi, Yifang; Wang, Tiejun

2018-02-01

Separation of foliar and woody materials using remotely sensed data is crucial for the accurate estimation of leaf area index (LAI) and woody biomass across forest stands. In this paper, we present a new method to accurately separate foliar and woody materials using terrestrial LiDAR point clouds obtained from ten test sites in a mixed forest in Bavarian Forest National Park, Germany. Firstly, we applied and compared an adaptive radius near-neighbor search algorithm with a fixed radius near-neighbor search method in order to obtain both radiometric and geometric features derived from terrestrial LiDAR point clouds. Secondly, we used a random forest machine learning algorithm to classify foliar and woody materials and examined the impact of understory and slope on the classification accuracy. An average overall accuracy of 84.4% (Kappa = 0.75) was achieved across all experimental plots. The adaptive radius near-neighbor search method outperformed the fixed radius near-neighbor search method. The classification accuracy was significantly higher when the combination of both radiometric and geometric features was utilized. The analysis showed that increasing slope and understory coverage had a significant negative effect on the overall classification accuracy. Our results suggest that the utilization of the adaptive radius near-neighbor search method coupling both radiometric and geometric features has the potential to accurately discriminate foliar and woody materials from terrestrial LiDAR data in a mixed natural forest.

Numerical analysis of the wake of a 10kW HAWT

NASA Astrophysics Data System (ADS)

Gong, S. G.; Deng, Y. B.; Xie, G. L.; Zhang, J. P.

2017-01-01

With the rising of wind power industry and the ever-growing scale of wind farm, the research for the wake performance of wind turbine has an important guiding significance for the overall arrangement of wind turbines in the large wind farm. The wake simulation model of 10kW horizontal-axis wind turbine is presented on the basis of Averaged Navier-Stokes (RANS) equations and the RNG k-ε turbulence model for applying to the rotational fluid flow. The sliding mesh technique in ANSYS CFX software is used to solve the coupling equation of velocity and pressure. The characters of the average velocity in the wake zone under rated inlet wind speed and different rotor rotational speeds have been investigated. Based on the analysis results, it is proposed that the horizontal spacing between the wind turbines is less than two times radius of rotor, and its longitudinal spacing is less than five times of radius. And other results have also been obtained, which are of great importance for large wind farms.

Numerical approach to describe complementary drying of banana slices osmotically dehydrated

NASA Astrophysics Data System (ADS)

da Silva Júnior, Aluízio Freire; da Silva, Wilton Pereira; de Farias Aires, Juarez Everton; Farias Aires, Kalina Lígia C. A.

2018-02-01

In this work, diffusion model was used to describe the water loss in the complementary drying process of cylindrical slices of banana pretreated by osmotic dehydration. A numerical solution has been proposed for the diffusion equation in cylindrical coordinates, which was obtained through the Finite Volume Method. The diffusion equation was discretized assuming that the effective water diffusivity and the dimensions of a finite cylinder may vary; also considering the boundary condition of the third kind. The banana slices were cut in length of about 1.00 cm and average radius 1.70 cm before osmotic pretreatment, and completed the pretreatment with length of about 0.74 cm and average radius 1.40 cm. The complementary drying was carried out in a kiln with circulation and air exchange. Drying temperatures were the same as used in the osmotic pretreatment (40 to 70 °C). The proposed model described well the water loss, with good statistical indicators for all fits.

Transport and equilibrium in field-reversed mirrors

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

Boyd, J.K.

Two plasma models relevant to compact torus research have been developed to study transport and equilibrium in field reversed mirrors. In the first model for small Larmor radius and large collision frequency, the plasma is described as an adiabatic hydromagnetic fluid. In the second model for large Larmor radius and small collision frequency, a kinetic theory description has been developed. Various aspects of the two models have been studied in five computer codes ADB, AV, NEO, OHK, RES. The ADB code computes two dimensional equilibrium and one dimensional transport in a flux coordinate. The AV code calculates orbit average integralsmore » in a harmonic oscillator potential. The NEO code follows particle trajectories in a Hill's vortex magnetic field to study stochasticity, invariants of the motion, and orbit average formulas. The OHK code displays analytic psi(r), B/sub Z/(r), phi(r), E/sub r/(r) formulas developed for the kinetic theory description. The RES code calculates resonance curves to consider overlap regions relevant to stochastic orbit behavior.« less

Rotor Wake Development During the First Revolution

NASA Technical Reports Server (NTRS)

McAlister, Kenneth W.

2003-01-01

The wake behind a two-bladed model rotor in light climb was measured using particle image velocimetry, with particular emphasis on the development of the trailing vortex during the first revolution of the rotor. The distribution of vorticity was distinguished from the slightly elliptical swirl pattern. Peculiar dynamics within the void region may explain why the peak vorticity appeared to shift away from the center as the vortex aged, suggesting the onset of instability. The swirl and axial velocities (which reached 44 and 12 percent of the rotor-tip speed, respectively) were found to be asymmetric relative to the vortex center. In particular, the axial flow was composed of two concentrated zones moving in opposite directions. The radial distribution of the circulation rapidly increased in magnitude until reaching a point just beyond the core radius, after which the rate of growth decreased significantly. The core-radius circulation increased slightly with wake age, but the large-radius circulation appeared to remain relatively constant. The radial distributions of swirl velocity and vorticity exhibit self-similar behaviors, especially within the core. The diameter of the vortex core was initially about 10 percent of the rotor-blade chord, but more than doubled its size after one revolution of the rotor. According to vortex models that approximate the measured data, the core-radius circulation was about 79 percent of the large-radius circulation, and the large-radius circulation was about 67 percent of the maximum bound circulation on the rotor blade. On average, about 53 percent of the maximum bound circulation resides within the vortex core during the first revolution of the rotor.

Distal radius fractures and the volar lunate facet fragment: Kirschner wire fixation in addition to volar-locked plating.

PubMed

Moore, Amy M; Dennison, David G

2014-06-01

The volar lunate facet fragment of a distal radius fracture may not be stabilized with volar-locked plating alone due to the small size and distal location of the fragment. Identification and stabilization of this small fragment is critical as unstable fixation may result in radiocarpal and radioulnar joint subluxation. The addition of spring wire fixation with volar plating can provide stable internal fixation of this critical fracture fragment. A retrospective review (2006-2011) identified nine patients with distal radius fractures with an associated volar lunate facet fragment that were treated with volar-locked plating and spring wire fixation of the volar lunate facet fragment. Radiographic indices, range of motion, grip strength, and postoperative Patient-related wrist evaluation (PRWE) scores were obtained to assess pain and function. All distal radius fractures healed, and the volar lunate facet fragment reduction was maintained. The mean follow-up was 54 weeks. Mean active range of motion was 46° wrist flexion, 51° wrist extension, 80° pronation, and 68° supination. The mean grip strength was 21 Kg, achieving 66 % of the uninjured limb. The average PRWE score was 17. No patient required removal of hardware or had evidence of tendon irritation. The addition of spring wire fixation to volar-locked plating provided stable fixation of the volar lunate facet fragment of distal radius fractures without complication. This technique addresses a limitation of volar-locked plating to control the small volar lunate facet fragment in distal radius fractures otherwise amenable to volar plating. A retrospective case series, Level IV.

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

Are Eyewall Replacement Cycles Governed Largely by Axisymmetric Balance Dynamics?

DTIC Science & Technology

2015-01-01

this viewpoint, the inward contraction of an eyewall is a mechanism driven by differential diabatic heating, and friction plays an un- important role...shows the azimuthally averaged kinematic and thermodynamical structure of the RAMS simulation, along with the corresponding averaged diabatic heating rate...structure of the storm, with the 360-K isotherm sloping upward from 9 to 13.5km between the center of the storm and 150-km radius. The mean diabatic heating

Vertical profiles of wind and temperature by remote acoustical sounding

NASA Technical Reports Server (NTRS)

Fox, H. L.

1969-01-01

An acoustical method was investigated for obtaining meteorological soundings based on the refraction due to the vertical variation of wind and temperature. The method has the potential of yielding horizontally averaged measurements of the vertical variation of wind and temperature up to heights of a few kilometers; the averaging takes place over a radius of 10 to 15 km. An outline of the basic concepts and some of the results obtained with the method are presented.

Composite foam structures

NASA Technical Reports Server (NTRS)

Williams, Brian E. (Inventor); Brockmeyer, Jerry (Inventor); Tuffias, Robert H. (Inventor)

2005-01-01

A composite rigid foam structure that has a skin or coating on at least one of its surfaces. The skin is formed in situ by thermal spray techniques. The skin is bonded substantially throughout the surface of the porous substrate to the peripheries of the pores. The skin on the average does not penetrate the surface of the substrate by more than the depth of about 2 to 5 pores. Thus, thermal spraying the skin onto the rigid foam produces a composite that is tightly and uniformly bonded together without unduly increasing the weight of the composite structure. Both thermal conductivity and bonding are excellent.

Polymeric heat pipe wick

NASA Technical Reports Server (NTRS)

Seidenberg, Benjamin

1988-01-01

A wick for use in a capillary loop pump heat pipe is described. The wick material is an essentially uniformly porous, permeable, open-cell, polyethylene thermoplastic foam having an ultrahigh average molecular weight of from approximately 1 to 5 million, and an average pore size of about 10 to 12 microns. A representative material having these characteristics is POREX UF, which has an average molecular weight of about 3 million. This material is fully compatible with the FREONs and anhydrous ammonia and allows for the use of these very efficient working fluids in capillary loops.

From Pore to Core: Do Engineered Nanoparticles Violate Upscaling Assumptions? A Microtomographic Investigation

NASA Astrophysics Data System (ADS)

Molnar, I. L.; O'Carroll, D. M.; Gerhard, J.; Willson, C. S.

2014-12-01

The recent success in using Synchrotron X-ray Computed Microtomography (SXCMT) for the quantification of nanoparticle concentrations within real, three-dimensional pore networks [1] has opened up new opportunities for collecting experimental data of pore-scale flow and transport processes. One opportunity is coupling SXCMT with nanoparticle/soil transport experiments to provide unique insights into how pore-scale processes influence transport at larger scales. Understanding these processes is a key step in accurately upscaling micron-scale phenomena to the continuum-scale. Upscaling phenomena from the micron-scale to the continuum-scale typically involves the assumption that the pore space is well mixed. Using this 'well mixed assumption' it is implicitly assumed that the distribution of nanoparticles within the pore does not affect its retention by soil grains. This assumption enables the use of volume-averaged parameters in calculating transport and retention rates. However, in some scenarios, the well mixed assumption will likely be violated by processes such as deposition and diffusion. These processes can alter the distribution of the nanoparticles in the pore space and impact retention behaviour, leading to discrepancies between theoretical predictions and experimental observations. This work investigates the well mixed assumption by employing SXCMT to experimentally examine pore-scale mixing of silver nanoparticles during transport through sand packed columns. Silver nanoparticles were flushed through three different sands to examine the impact of grain distribution and nanoparticle retention rates on mixing: uniform silica (low retention), well graded silica sand (low retention) and uniform iron oxide coated silica sand (high retention). The SXCMT data identified diffusion-limited retention as responsible for violations of the well mixed assumption. A mathematical description of the diffusion-limited retention process was created and compared to the experimental data at the pore and column-scale. The mathematical description accurately predicted trends observed within the SXCMT-datasets such as concentration gradients away from grain surfaces and also accurately predicted total retention of nanoparticles at the column scale. 1. ES&T 2014, 48, (2), 1114-1122.

Topological characteristics underpin intermittency and anomalous transport behavior in soil-like porous media

NASA Astrophysics Data System (ADS)

Holzner, M.; Morales, V.; Willmann, M.; Jerjen, I.; Kaufmann, R.; Dentz, M.

2016-12-01

Continuum models of porous media are based on the validity of the Darcy equation for fluid and Fick's law for scalar fluxes on a representative elementary volume. Fluctuations of pore-scale flow and scalar transport are averaged out and represented in terms of effective parameters such as hydrodynamic dispersion. However, the intermittent behavior of pore-scale flow impacts on the nature of particle and scalar transport, and it determines the way dissolved substances mix and react. The understanding of the origin of these processes is of both fundamental and practical importance in applications ranging from reactive transport in groundwater flow to diffusion in fuel cells or biological systems. A central issue in porous medium flow is therefore to relate intermittent behavior of Lagrangian velocity at pore scale imposed by the complex pore network geometry to transport properties at larger scales. Lagrangian measurements in porous systems are nonetheless scarce and most experimental techniques do not provide access to all three velocity components. In this contribution we report 3D measurements of Lagrangian velocity in soil-like porous media. We complement these measurements with detailed X-ray scans of the pore network. We find sharp velocity transitions close to pore throats, and low flow variability in the pore bodies, which gives rise to stretched exponential Lagrangian velocity and acceleration distributions characterized by a sharp peak at low velocity and a superlinear evolution of particle dispersion. We demonstrate that porosity and pore size distribution alone cannot explain the observed features of the flow. Rather, anomalous transport is better interpreted in terms of how pores of various geometries are interconnected. We reproduce the main observations using a continuous-time random walk (CTRW) model revealing the main features that control the system and showing the potential of this simple model to capture transport in complex geometries.

Effects of the soil pore network architecture on the soil's physical functionalities

NASA Astrophysics Data System (ADS)

Smet, Sarah; Beckers, Eléonore; Léonard, Angélique; Degré, Aurore

2017-04-01

The soil fluid movement's prediction is of major interest within an agricultural or environmental scope because many processes depend ultimately on the soil fluids dynamic. It is common knowledge that the soil microscopic pore network structure governs the inner-soil convective fluids flow. There isn't, however, a general methodthat consider the pore network structure as a variable in the prediction of thecore scale soil's physical functionalities. There are various possible representations of the microscopic pore network: sample scale averaged structural parameters, extrapolation of theoretic pore network, or use of all the information available by modeling within the observed pore network. Different representations implydifferent analyzing methodologies. To our knowledge, few studies have compared the micro-and macroscopic soil's characteristics for the same soil core sample. The objective of our study is to explore the relationship between macroscopic physical properties and microscopic pore network structure. The saturated hydraulic conductivity, the air permeability, the retention curve, and others classical physical parameters were measured for ten soil samples from an agricultural field. The pore network characteristics were quantified through the analyses of X-ray micro-computed tomographic images(micro-CT system Skyscan-1172) with a voxel size of 22 µm3. Some of the first results confirmed what others studies had reported. Then, the comparison between macroscopic properties and microscopic parameters suggested that the air movements depended mostly on the pore connectivity and tortuosity than on the total porosity volume. We have also found that the fractal dimension calculated from the X-ray images and the fractal dimension calculated from the retention curve were significantly different. Our communication will detailthose results and discuss the methodology: would the results be similar with a different voxel size? What are the calculated and measured parameters uncertainties? Sarah Smet, as a research fellow, acknowledges the support of the National Fund for Scientific Research (Brussels, Belgium).

Gas adsorption and capillary condensation in nanoporous alumina films.

PubMed

Casanova, Fèlix; Chiang, Casey E; Li, Chang-Peng; Roshchin, Igor V; Ruminski, Anne M; Sailor, Michael J; Schuller, Ivan K

2008-08-06

Gas adsorption and capillary condensation of organic vapors are studied by optical interferometry, using anodized nanoporous alumina films with controlled geometry (cylindrical pores with diameters in the range of 10-60 nm). The optical response of the film is optimized with respect to the geometric parameters of the pores, for potential performance as a gas sensor device. The average thickness of the adsorbed film at low relative pressures is not affected by the pore size. Capillary evaporation of the liquid from the nanopores occurs at the liquid-vapor equilibrium described by the classical Kelvin equation with a hemispherical meniscus. Due to the almost complete wetting, we can quantitatively describe the condensation for isopropanol using the Cohan model with a cylindrical meniscus in the Kelvin equation. This model describes the observed hysteresis and allows us to use the adsorption branch of the isotherm to calculate the pore size distribution of the sample in good agreement with independent structural measurements. The condensation for toluene lacks reproducibility due to incomplete surface wetting. This exemplifies the relevant role of the fluid-solid (van der Waals) interactions in the hysteretic behavior of capillary condensation.

Effect of Ionic Soil Stabilizers on Soil-Water Characteristic of Special Clay

NASA Astrophysics Data System (ADS)

Cui, D.; Xiang, W.

2011-12-01

The engineering properties of special clay are conventionally improved through the use of chemical additive such as ionic soil stabilizer (ISS). Such special clays are often referred to as stabilized or treated clays. The soil-water characteristic curves (SWCC) of special clays from Henan province and Hubei province were measured both in natural and stabilized conditions using the pressure plate apparatus in the suction range of 0-500 kPa. The SWCC results are used to interpret the special clays behavior due to stabilizer treatment. In addition, relationships were developed between the basic clay and stabilized properties such as specific surface area and pore size distribution. The analysis showed that specific surface area decreases, cumulative pore volume and average pore size diameter decrease, dehydration rate slows and the thickness of water film thins after treatment with Ionic Soil Stabilizer. The research data and interpretation analysis presented here can be extended to understand the water film change behaviors influencing the mechanical and physical properties of stabilized special clay soils. KEY WORDS: ionic soil stabilizer, special clay, pore size diameter, specific surface area, soil water characteristic curve, water film

Nup133 Is Required for Proper Nuclear Pore Basket Assembly and Dynamics in Embryonic Stem Cells.

PubMed

Souquet, Benoit; Freed, Ellen; Berto, Alessandro; Andric, Vedrana; Audugé, Nicolas; Reina-San-Martin, Bernardo; Lacy, Elizabeth; Doye, Valérie

2018-05-22

Nup133 belongs to the Y-complex, a key component of the nuclear pore complex (NPC) scaffold. Studies on a null mutation in mice previously revealed that Nup133 is essential for embryonic development but not for mouse embryonic stem cell (mESC) proliferation. Using single-pore detection and average NE-fluorescence intensity, we find that Nup133 is dispensable for interphase and postmitotic NPC scaffold assembly in pluripotent mESCs. However, loss of Nup133 specifically perturbs the formation of the nuclear basket as manifested by the absence of Tpr in about half of the NPCs combined with altered dynamics of Nup153. We further demonstrate that its central domain mediates Nup133's role in assembling Tpr and Nup153 into a properly configured nuclear basket. Our findings thus revisit the role of the Y-complex in pore biogenesis and provide insights into the interplay between NPC scaffold architecture, nuclear basket assembly, and the generation of heterogeneity among NPCs. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights reserved.

Influence of surface treatments on micropore structure and hydrogen adsorption behavior of nanoporous carbons.

PubMed

Kim, Byung-Joo; Park, Soo-Jin

2007-07-15

The scope of this work was to control the pore sizes of porous carbons by various surface treatments and to investigate the relation between pore structures and hydrogen adsorption capacity. The effects of various surface treatments (i.e., gas-phase ozone, anodic oxidation, fluorination, and oxygen plasma) on the micropore structures of porous carbons were investigated by N(2)/77 K isothermal adsorption. The hydrogen adsorption capacity was measured by H(2) isothermal adsorption at 77 K. In the result, the specific surface area and micropore volume of all of the treated samples were slightly decreased due to the micropore filling or pore collapsing behaviors. It was also found that in F(2)-treated carbons the center of the pore size distribution was shifted to left side, meaning that the average size of the micropores decreased. The F(2)- and plasma-treated samples showed higher hydrogen storage capacities than did the other samples, the F(2)-treated one being the best, indicating that the micropore size of the porous carbons played a key role in the hydrogen adsorption at 77 K.

Nuclear fuel elements and method of making same

DOEpatents

Schweitzer, Donald G.

1992-01-01

A nuclear fuel element for a high temperature gas nuclear reactor that has an average operating temperature in excess of 2000.degree. C., and a method of making such a fuel element. The fuel element is characterized by having fissionable fuel material localized and stabilized within pores of a carbon or graphite member by melting the fissionable material to cause it to chemically react with the carbon walls of the pores. The fissionable fuel material is further stabilized and localized within the pores of the graphite member by providing one or more coatings of pyrolytic carbon or diamond surrounding the porous graphite member so that each layer defines a successive barrier against migration of the fissionable fuel from the pores, and so that the outermost layer of pyrolytic carbon or diamond forms a barrier between the fissionable material and the moderating gases used in an associated high temperature gas reactor. The method of the invention provides for making such new elements either as generally spherically elements, or as flexible filaments, or as other relatively small-sized fuel elements that are particularly suited for use in high temperature gas reactors.

Determination by Small-angle X-ray Scattering of Pore Size Distribution in Nanoporous Track-etched Polycarbonate Membranes

NASA Astrophysics Data System (ADS)

Jonas, A. M.; Legras, R.; Ferain, E.

1998-03-01

Nanoporous track-etched membranes with narrow pore size distributions and average pore size diameters tunable from 100 to 1000 Åare produced by the chemical etching of latent tracks in polymer films after irradiation by a beam of accelerated heavy ions. Nanoporous membranes are used for highly demanding filtration purposes, or as templates to obtain metallic or polymeric nanowires (L. Piraux et al., Nucl. Instr. Meth. Phys. Res. 1997, B131, 357). Such applications call for developments in nanopore size characterization techniques. In this respect, we report on the characterization by small-angle X-ray scattering (SAXS) of nanopore size distribution (nPSD) in polycarbonate track-etched membranes. The obtention of nPSD requires inverting an ill-conditioned inhomogeneous equation. We present different numerical routes to overcome the amplification of experimental errors in the resulting solutions, including a regularization technique allowing to obtain the nPSD without a priori knowledge of its shape. The effect of deviations from cylindrical pore shape on the resulting distributions are analyzed. Finally, SAXS results are compared to results obtained by electron microscopy and conductometry.

Polyurethane/fluor-hydroxyapatite nanocomposite scaffolds for bone tissue engineering. Part I: morphological, physical, and mechanical characterization

PubMed Central

Asefnejad, Azadeh; Behnamghader, Aliasghar; Khorasani, Mohammad Taghi; Farsadzadeh, Babak

2011-01-01

In this study, new nano-fluor-hydroxyapatite (nFHA)/polyurethane composite scaffolds were fabricated for potential use in bone tissue engineering. Polyester urethane samples were synthesized from polycaprolactone, hexamethylene diisocyanate, and 1,4-butanediol as chain extender. Nano fluor-hydroxyapatite (nFHA) was successfully synthesized by sol-gel method. The solid–liquid phase separation and solvent sublimation methods were used for preparation of the porous composites. Mechanical properties, chemical structure, and morphological characteristics of the samples were investigated by compressive test, Fourier transform infrared, and scanning electron microscopy (SEM) techniques, respectively. The effect of nFHA powder content on porosity and pore morphology was investigated. SEM images demonstrated that the scaffolds were constituted of interconnected and homogeneously distributed pores. The pore size of the scaffolds was in the range 50–250 μm. The result obtained in this research revealed that the porosity and pore average size decreased and compressive modulus increased with nFHA percentage. Considering morphological, physical, and mechanical properties, the scaffold with a higher ratio of nFHA has suitable potential use in tissue regeneration. PMID:21289986

Pore scale study of multiphase multicomponent reactive transport during CO 2 dissolution trapping

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

Chen, Li; Wang, Mengyi; Kang, Qinjun

Solubility trapping is crucial for permanent CO 2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO 2-water two-phase flow, multicomponent (CO 2(aq), H +, HCO 3 –, CO 3 2 – and OH –) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO 2(aq) concentration, scCO 2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is requiredmore » by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Lastly, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO 2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.« less

Poly(acrylonitrile)chitosan composite membranes for urease immobilization.

PubMed

Gabrovska, Katya; Georgieva, Aneliya; Godjevargova, Tzonka; Stoilova, Olya; Manolova, Nevena

2007-05-10

(Poly)acrylonitrile/chitosan (PANCHI) composite membranes were prepared. The chitosan layer was deposited on the surface as well as on the pore walls of the base membrane. This resulted in the reduction of the pore size of the membrane and in an increase of their hydrophilicity. The pore structure of PAN and PANCHI membranes were determined by TEM and SEM analyses. It was found that the average size of the pore under a selective layer base PAN membrane is 7 microm, while the membrane coated with 0.25% chitosan shows a reduced pore size--small or equal to 5 microm and with 0.35% chitosan--about 4 microm. The amounts of the functional groups, the degree of hydrophilicity and transport characteristics of PAN/Chitosan composite membranes were determined. Urease was covalently immobilized onto all kinds of PAN/chitosan composite membranes using glutaraldehyde. Both the amount of bound protein and relative activity of immobilized urease were measured. The highest activity (94%) was measured for urease bound to PANCHI2 membranes (0.25% chitosan). The basic characteristics (pH(opt), pH(stability), T(opt), T(stability), heat inactivation and storage stability) of immobilized urease were determined. The obtained results show that the poly(acrylonitrile)chitosan composite membranes are suitable for enzyme immobilization.

Pore scale study of multiphase multicomponent reactive transport during CO 2 dissolution trapping

DOE PAGES

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

2018-04-26

Solubility trapping is crucial for permanent CO 2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO 2-water two-phase flow, multicomponent (CO 2(aq), H +, HCO 3 –, CO 3 2 – and OH –) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO 2(aq) concentration, scCO 2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is requiredmore » by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Lastly, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO 2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.« less

Pore scale study of multiphase multicomponent reactive transport during CO2 dissolution trapping

NASA Astrophysics Data System (ADS)

Chen, Li; Wang, Mengyi; Kang, Qinjun; Tao, Wenquan

2018-06-01

Solubility trapping is crucial for permanent CO2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO2-water two-phase flow, multicomponent (CO2(aq), H+, HCO3-, CO32- and OH-) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO2(aq) concentration, scCO2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is required by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Finally, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.