Monte Carlo simulation of transport diffusion in nanoporous carbon membranes

被引：25
|
作者：
Seo, YG
Kum, GH
Seaton, NA
机构：
[1] Gyeongsang Natl Univ, Div Appl Chem Engn, RIIT, Chinju 660701, South Korea
[2] Gyeongsang Natl Univ, Dept Environm Protect, Chinju 660701, South Korea
[3] Univ Edinburgh, Sch Chem Engn, Edinburgh EH9 3JL, Midlothian, Scotland
来源：
JOURNAL OF MEMBRANE SCIENCE | 2002年 / 195卷 / 01期
关键词：
Monte Carlo simulation; transport diffusion; carbon; microporous membrane; surface diffusion;
D O I：
10.1016/S0376-7388(01)00549-X
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
A dynamic Monte Carlo (MC) simulation method was applied to calculate the transport diffusion of hydrogen and hydrocarbons in nanoporous carbon membranes with slit-like pores. Molecular movements were characterised by surface diffusion in which fluxes were strong close to the location of the pore wall. The pore size was shown to be an important factor in determining the selectivity of hydrocarbons in the membranes. The calculated diffusivities were in semi-quantitative agreement with published experimental data. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：65 / 73
页数：9
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