Modelling gas adsorption in slit-pores using Monte Carlo simulation

被引：28

作者：

Sweatman, MB ^{[1
]}

Quirke, N ^{[1
]}

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AY, England

来源：

MOLECULAR SIMULATION | 2001年 / 27卷 / 5-6期

基金：

英国工程与自然科学研究理事会;

关键词：

Monte Carlo simulation; Gibbs ensemble; grand canonical ensemble; graphitic slit pores; adsorption isotherms; materials characterisation;

D O I：

10.1080/08927020108031355

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 discuss the use of Monte Carlo simulation to model the equilibrium adsorption of gases in slit pores. Databases of adsorption isotherms have been calculated for nitrogen, carbon-monoxide, methane and carbon-dioxide for a range of pressures, pore widths and temperatures. We discuss the implications of these results for materials characterisation procedures based on gas adsorption data.

引用

页码：295 / 321

页数：27

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