Computer simulations of physical adsorption: a historical review

被引：47

作者：

Steele, W ^{[1
]}

机构：

[1] Penn State Univ, Dept Chem, University Pk, PA 16802 USA

来源：

APPLIED SURFACE SCIENCE | 2002年 / 196卷 / 1-4期

关键词：

physical adsorption; computer simulation; isotherms; surface models; porous solids; monolayers; Grand Canonical Monte Carlo;

D O I：

10.1016/S0169-4332(02)00038-7

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：

Computer simulations of two-dimensional (2D) fluids are discussed in connection with their use in determining the isotherms and thermodynamic properties of monolayers adsorbed on model surfaces. The use of powerful algorithms such as the Grand Canonical Monte Carlo (GCMC) to simulate a greatly expanded range of adsorption systems is then discussed in connection with computations of multilayer adsorption, adsorption on heterogeneous surfaces and in pores. (C) 2002 Published by Elsevier Science B.V.

引用

页码：3 / 12

页数：10

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