• 제목/요약/키워드: 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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    • 제33권3호
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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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    • 제3권2호
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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.

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

  • 전현정;;윤성원;;;;;손연규;하상건
    • 한국토양비료학회지
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    • 제43권4호
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    • pp.415-423
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    • 2010
  • 포어 네트웍 모델들 (Pore network model)은 토양 공극의 구조를 조사할 때 유용한 도구들이다. 이런 모델들은 삼차원 이미지들에서 공극의 구조와 관련된 양적 정보를 제공한다. 이 연구는 포어 네트웍 모델을 이용하여 공극의 구조와 수리학적 특성들을 양적으로 측정하였다. 연구목표는 큰 크기의 이미지에서 공극의 구조에 관한 양적 정보를얻기 위해 포어 네트웍 모델을 적용하고, 토양수분특성과 수리 전도도를 삼차원 이미지로부터 계산하고 이 값들은 실험을 통해 얻어진 실험값들과 결합하여 토양의 수리적 특성을 분석하는 것이었다. 토양 시료들은 발티모아 도시 중심에 있는발티모어 과학센터에 위치한 실험부지에서 채취되었다. 불교란 원주형 시료들이 채취되었고, 22 ${\mu}m$ 의 해상도로 x선 단층 촬영되었다. 포어 네트웍은 중심축 변형에 의해 공극에서 축출되었고 이를 바탕으로 공극 구조가 계산되었다. 토양수분특성과 불포화 수리 전도도 값들은 토양 이미지에서 계산 되었다. 토양 밀도, 토양수분특성과 불포화 수리 전도도들은 3 토양 시료들로부터 실험을 통해 구하였다. 삼차원 이미지 분석은 토양 공극의 특성들을, 예를 들어 공극 부피, 길이, 굴곡도, 가장 정확히 분석하였다. 이런 정확한 분석은 토양 내 수문학적 정보를 정확히 산출할 수 있게 하였다. 계산된 값과 실험을 통한 실험치의 결합은 공극에 대한 더 광범한 범위를 분석할 수 있게 하였다. 이 연구를 통해 이미지에서 계산되고 측정된 수문학적 자료들은 토양 내대기공과 소기공을 모두 다 설명해 줄 수 있는 방법이라는 것이 밝혀졌다.

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
    • 한국토양비료학회지
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    • 제44권3호
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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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    • 제22권5호
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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
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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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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    • 제3권3호
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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.

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

  • 김내현;정호종;조진표;최국광
    • 대한기계학회논문집B
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    • 제25권12호
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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.