Monte Carlo simulation of adsorption using 2-D models of heterogeneous solids

被引：8
|
作者：
Cabral, VF [1 ]
Tavares, FW [1 ]
Castier, M [1 ]
机构：
[1] Univ Fed Rio de Janeiro, Escola Quim, Rio De Janeiro, Brazil
来源：
AICHE JOURNAL | 2003年 / 49卷 / 03期
关键词：
D O I：
10.1002/aic.690490319
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
A new methodology proposed here correlates the adsorption of pure components and predicts the adsorption of binary and ternary mixtures in homogeneous and heterogeneous solids. This methodology uses the algorithm of molecular simulation in the grand canonical ensemble as an equation of state for the adsorbed phase. In all case studies presented, the simulations described the adsorption characteristics of systems. The results obtained for the adsorption of the binary mixtures of propane - CO2 and propane - H2S, which are strongly nonideal, were quite satisfactory, showing the potential of this technique for the description of real systems.
引用
收藏
页码：753 / 763
页数：11
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