Inter-relation between self- and jump-diffusivities in zeolites

被引：42

作者：

Paschek, D ^{[1
]}

Krishna, R ^{[1
]}

机构：

[1] Univ Amsterdam, Dept Chem Engn, NL-1018 WV Amsterdam, Netherlands

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 333卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(00)01363-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We have performed kinetic Monte Carlo simulations for diffusion of methane, perfluoromethane and 2-methylhexane in silicalite to study the inter-relations between self-, jump- and transport-diffusivities. Both the self- and jump-diffusivities were found to decrease with occupancy, or loading, within the zeolite matrix. Correlation effects cause the self-diffusivity to be lower in value than the jump-diffusivity. Using the Maxwell-Stefan theory for diffusion we derive a simple formula to relate the self- and jump-diffusivities. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：278 / 284

页数：7

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