Monte-Carlo simulations of methane/carbon dioxide and ethane/carbon dioxide mixture adsorption in zeolites and comparison with matrix treatment of statistical mechanical lattice model

被引：16

作者：

Dunne, Lawrence J. ^{[2
]}

Furgani, Akrem ^{[1
]}

Jalili, Sayed ^{[1
]}

Manos, George ^{[1
]}

机构：

[1] UCL, Dept Chem Engn, London WC1E 7JE, England

[2] London S Bank Univ, Dept Syst Engn, London SE1 0AA, England

来源：

CHEMICAL PHYSICS | 2009年 / 359卷 / 1-3期

关键词：

Mixture adsorption; Monte-Carlo simulation; Lattice model; ALKANES;

D O I：

10.1016/j.chemphys.2009.02.013

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：

Adsorption isotherms have been computed by Monte-Carlo simulation for methane/carbon dioxide and ethane/carbon dioxide mixtures adsorbed in the zeolite silicalite. These isotherms show remarkable differences with the ethane/carbon dioxide mixtures displaying strong adsorption preference reversal at high coverage. To explain the differences in the Monte-Carlo mixture isotherms an exact matrix calculation of the statistical mechanics of a lattice model of mixture adsorption in zeolites has been made. The lattice model reproduces the essential features of the Monte-Carlo isotherms, enabling us to understand the differing adsorption behaviour of methane/carbon dioxide and ethane/carbon dioxide mixtures in zeolites. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：27 / 30

页数：4

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