• Title/Summary/Keyword: pore geometry

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Effect of Pore Geometry on Gas Adsorption: Grand Canonical Monte Carlo Simulation Studies

  • Lee, Eon-Ji;Chang, Rak-Woo;Han, Ji-Hyung;Chung, Taek-Dong
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.901-905
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    • 2012
  • In this study, we investigated the pure geometrical effect of porous materials in gas adsorption using the grand canonical Monte Carlo simulations of primitive gas-pore models with various pore geometries such as planar, cylindrical, and random pore geometries. Although the model does not possess atomistic level details of porous materials, our simulation results provided many insightful information in the effect of pore geometry on the adsorption behavior of gas molecules. First, the surface curvature of porous materials plays a significant role in the amount of adsorbed gas molecules: the concave surface such as in cylindrical pores induces more attraction between gas molecules and pore, which results in the enhanced gas adsorption. On the contrary, the convex surface of random pores gives the opposite effect. Second, this geometrical effect shows a nonmonotonic dependence on the gas-pore interaction strength and length. Third, as the external gas pressure is increased, the change in the gas adsorption due to pore geometry is reduced. Finally, the pore geometry also affects the collision dynamics of gas molecules. Since our model is based on primitive description of fluid molecules, our conclusion can be applied to any fluidic systems including reactant-electrode systems.

Prediction of solute rejection and modelling of steady-state concentration polarisation effects in pressure-driven membrane filtration using computational fluid dynamics

  • Keir, Greg;Jegatheesan, Veeriah
    • Membrane and Water Treatment
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    • v.3 no.2
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    • pp.77-98
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    • 2012
  • A two-dimensional (2D) steady state numerical model of concentration polarisation (CP) phenomena in a membrane channel has been developed using the commercially available computational fluid dynamics (CFD) package CFX (Ansys, Inc., USA). The model incorporates the transmembrane pressure (TMP), axially variable permeate flux, variable diffusivity and viscosity, and osmotic pressure effects. The model has been verified against several benchmark analytical and empirical solutions from the membrane literature. Additionally, the model is able to predict the rejection of an arbitrary solute by the membrane using a pore model, given some basic knowledge of the geometry of the solute molecule or particle, and the membrane pore geometry. This allows for predictive design of membrane systems without experimental determination of the membrane rejection for the specified operating conditions. A demonstration of the model is presented against experimental results for two uncharged test compounds (sucrose and PEG1000) from the literature. The model will be extended to incorporate charge effects, transient simulations, three-dimensional (3D) geometry and turbulent effects in future work.

Three Dimensional Measurements of Pore Morphological and Hydraulic Properties (토양 공극 형태와 수문학적 특성에 대한 3 차원적 측정)

  • Chun, Hyen-Chung;Gimenez, Daniel;Yoon, Sung-Won;Heck, Richard;Elliot, Tom;Ziska, Laise;Geaorge, Kate;Sonn, Yeon-Kyu;Ha, Sang-Keun
    • Korean Journal of Soil Science and Fertilizer
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    • v.43 no.4
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    • pp.415-423
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    • 2010
  • Pore network models are useful tools to investigate soil pore geometry. These models provide quantitative information of pore geometry from 3D images. This study presents a pore network model to quantify pore structure and hydraulic characteristics. The objectives of this work were to apply the pore network model to characterize pore structure from large images to quantify pore structure, calculate water retention and hydraulic conductivity properties from a three dimensional soil image, and to combine measured hydraulic properties from experiments with calculated hydraulic properties from image. Soil samples were taken from a site located at the Baltimore science center, which is located inside of the city. Undisturbed columns were taken from the site and scanned with a computer tomographer at resolutions of 22 ${\mu}m$. Pore networks were extracted by medial-axis transformation and were used to measure pore geometry from one of the scanned samples. Water retention and unsaturated hydraulic conductivity values were calculated from the soil image. Properties of soil bulk density, water retention and unsaturated hydraulic conductivity were measured from three replicates of scanned soil samples. 3D image analysis provided accurate detailed pore properties such as individual pore volumes, pore length, and tortuosity of all pores. These data made possible to calculate accurate estimations of water retention and hydraulic conductivity. Combination of the calculated and measured hydraulic properties gave more accurate information on pore sizes over wider range than measured or calculated data alone. We could conclude that the hydraulic property computed from soil images and laboratory measurements can describe a full structure of intra- and inter-aggregate pores in soil.

Review of Soil Structure Quantification from Soil Images

  • Chun, Hyen-Chung;Gimenez, Daniel;Yoon, Sung-Won;Park, Chan-Won;Moon, Yong-Hee;Sonn, Yeon-Kyu;Hyun, Byung-Keun
    • Korean Journal of Soil Science and Fertilizer
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    • v.44 no.3
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    • pp.517-526
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    • 2011
  • Soil structure plays an important role in ecological system, since it controls transport and storage of air, gas, nutrients and solutions. The study of soil structure requires an understanding of the interrelations and interactions between the diverse soil components at various levels of organization. Investigations of the spatial distribution of pore/particle arrangements and the geometry of soil pore space can provide important information regarding ecological or crop system. Because of conveniences in image analyses and accuracy, these investigations have been thrived for a long time. Image analyses from soil sections through impregnated blocks of undisturbed soil (2 dimensional image analyses) or from 3 dimensional scanned soils by computer tomography allow quantitative assessment of the pore space. Image analysis techniques can be used to classify pore types and quantify pore structure without inaccurate or hard labor in laboratory. In this paper, the last 50 years of the soil image analyses have been presented and measurements on various soil scales were introduced, as well. In addition to history of image analyses, a couple of examples for soil image analyses were displayed. The discussion was made on the applications of image analyses and techniques to quantify pore/soil structure.

Analysis of permeability in rock fracture with effective stress at deep depth

  • Lee, Hangbok;Oh, Tae-Min;Park, Chan
    • Geomechanics and Engineering
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    • v.22 no.5
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    • pp.375-384
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    • 2020
  • In this study, the application of conventional cubic law to a deep depth condition was experimentally evaluated. Moreover, a modified equation for estimating the rock permeability at a deep depth was suggested using precise hydraulic tests and an effect analysis according to the vertical stress, pore water pressure and fracture roughness. The experimental apparatus which enabled the generation of high pore water pressure (< 10 MPa) and vertical stress (< 20 MPa) was manufactured, and the surface roughness of a cylindrical rock sample was quantitatively analyzed by means of 3D (three-dimensional) laser scanning. Experimental data of the injected pore water pressure and outflow rate obtained through the hydraulic test were applied to the cubic law equation, which was used to estimate the permeability of rock fracture. The rock permeability was estimated under various pressure (vertical stress and pore water pressure) and geometry (roughness) conditions. Finally, an empirical formula was proposed by considering nonlinear flow behavior; the formula can be applied to evaluations of changes of rock permeability levels in deep underground facility such as nuclear waste disposal repository with high vertical stress and pore water pressure levels.

Nanostructures of Block Copolymer under Confined Geometry

  • Jo, Won-Ho;Huh, June
    • Proceedings of the Polymer Society of Korea Conference
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    • 2006.10a
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    • pp.73-73
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    • 2006
  • We investigate the influence of the confinement on the mesophase formation of diblock copolymer caged in a cylindrical pore in which the surface of the pore preferentially attracts one of the blocks. Using cell dynamics simulation, we construct phase maps as a function of the composition of diblock copolymer (f) and the pore diameter (D) relative to the period at bulk ($L_{o}$). Depending on f and $D/L_{o}$, we observe a variety of confinement-induced mesophases ranging from a simple dartboard-like structure to more complicated structures involving various forms of helices or doughnuts.

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Mechanics of the slaking of shales

  • Vallejo, Luis E.
    • Geomechanics and Engineering
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    • v.3 no.3
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    • pp.219-231
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    • 2011
  • Waste fills resulting from coal mining should consist of large, free-draining sedimentary rocks fragments. The successful performance of these fills is related to the strength and durability of the individual rock fragments. When fills are made of shale fragments, some fragments will be durable and some will degrade into soil particles resulting from slaking and inter-particle point loads. The degraded material fills the voids between the intact fragments, and results in settlement. A laboratory program with point load and slake durability tests as well as thin section examination of sixty-eight shale samples from the Appalachian region of the United States revealed that pore micro-geometry has a major influence on degradation. Under saturated and unsaturated conditions, the shales absorb water, and the air in their pores is compressed, breaking the shales. This breakage was more pronounced in shales with smooth pore boundaries and having a diameter equal to or smaller than 0.060 mm. If the pore walls were rough, the air-pressure breaking mechanism was not effective. However, pore roughness (measured by the fractal dimension) had a detrimental effect on point load resistance. This study indicated that the optimum shales to resist both slaking as well as point loads are those that have pores with a fractal dimension equal to 1.425 and a diameter equal to or smaller than 0.06 mm.

Forced Convective Boiling of Pure Refrigerants in a Bundle of Enhanced Tubes (전열촉진관군의 순수냉매 강제대류비등)

  • Kim, Nae-Hyeon;Jeong, Ho-Jong;Jo, Jin-Pyo;Choe, Guk-Gwang
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.25 no.12
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    • pp.1831-1843
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    • 2001
  • In this study, convective boiling tests were conducted for enhanced tube bundles. The surface geometry consists of pores and connecting gaps. Tubes with three different pore sizes (d$_{p}$ = 0.20, 0.23 and 0.27 mm) were tested using R-123 and R-l34a for the following range: 8 kg/m$^2$s G 26 kg/m$^2$s, 10 kW/m$^2$ q0 40 kW/m$^2$and 0.1 $\chi$ 0.9. The convective boiling heat transfer coefficients were strongly dependent on heat flux with negligible dependency on mass flux or quality. For the present enhanced geometry (pores and gaps), the convective effect was apparent. The gaps of the present tubes may have served routes for the passage of two-phase mixtures, and enhanced the boiling heat transfer. The convective effect was more pronounced at a higher saturation temperature. More bubbles will be generated at a higher saturation temperature, which will lead to enhanced convective contribution. The pore size where the maximum heat transfer coefficient was obtained was larger for R-l34a (d$_{p}$ = 0.27 mm) compared with that for R-123 (d$_{p}$ = 0.23 mm). This trend was consistent with the previous pool boiling results. For the enhanced tube bundles, the convective effect was more pronounced for R-134a than for R-123. This trend was reversed for the smooth tube bundle. Possible reasoning is provided based on the bubble behavior on the tube wall. Both the modified Chen and the asymptotic model predicted the present data reasonably well. The RMSEs were 14.3% for the modified Chen model and 12.7% for the asymptotic model.model.