Gibbs ensemble Monte Carlo simulation of adsorption equilibrium of methane

被引：3
|
作者：
Zhou, J [1 ]
Wang, WC [1 ]
机构：
[1] Beijing Univ Chem Technol, Coll Chem Engn, Beijing 100029, Peoples R China
来源：
ACTA PHYSICO-CHIMICA SINICA | 2001年 / 17卷 / 08期
关键词：
methane; adsorption; molecular simulation; Gibbs ensemble Monte Carlo;
D O I：
10.3866/PKU.WHXB20010811
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：
The adsorption equilibrium of methane in activated carbon was simulated by the Gibbs ensemble Monte Carlo (GEMC) method. A modified GEMC method was proposed to simulate the adsorption equilibrium at a specified pressure. The excess adsorption at 263 K is larger than that at 298 K or 313 K. There exists a maximum excess adsorption at each temperature. At 263 K, the excess adsorption reaches the maximum at 5. 0 MPa; while at 298 K or 313 K, the excess adsorption reaches the maximum at about 7. 0 MPa.
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页码：723 / 727
页数：5
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