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
收藏
页码：295 / 321
页数：27
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