The structure of associating hard spheres adsorbed on crystalline solids:: a density functional approach

被引：4
|
作者：
Zagórski, R [1 ]
Borówko, M
Sokolowski, S
Pizio, O
机构：
[1] Marie Curie Sklodowska Univ, Dept Modelling Physicochem Proc, PL-20031 Lublin, Poland
[2] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico
来源：
MOLECULAR PHYSICS | 1999年 / 96卷 / 05期
关键词：
D O I：
10.1080/002689799165297
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：
Adsorption of associating hard spheres at a crystalline (100) fee plane is studied using the density functional theory and isobaric-isothermal Monte Carlo simulation. The model of hard spheres with one bonding site per particle is considered. The influence of the surface periodicity on the structure of the fluid is discussed. The simulational results are compared with theoretical predictions. It is shown that the density functional approach is capable of predicting the structure of the fluid reasonably well.
引用
收藏
页码：885 / 892
页数：8
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