WETTING TRANSITIONS AND CAPILLARY CONDENSATION IN SLIT-LIKE PORES - COMPARISON OF SIMULATION AND DENSITY FUNCTIONAL THEORY

被引:29
作者
KOZAK, E
SOKOLOWSKI, S
机构
[1] FORSCHUNGSZENTRUM JULICH, HLRZ, W-5170 JULICH 1, GERMANY
[2] MARIE CURIE SKLODOWSKA UNIV, FAC CHEM, DEPT THEORET CHEM, PL-20031 LUBLIN, POLAND
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1991年 / 87卷 / 20期
关键词
D O I
10.1039/ft9918703415
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 recent version of the density functional theory, derived by Kierlik and Rosinberg (Phys. Rev. A, 1990, 42, 3382) is examined in terms of its ability to describe correctly the structure and phase transitions of Lennard-Jones fluids adsorbed on a planar wall and in slit-like pores. The theoretical predictions are compared with the results of grand ensemble Monte Carlo simulations. The tests performed indicate that the theory describes reasonably well the wetting transitions and capillary condensation inside slit-like pores.
引用
收藏
页码:3415 / 3422
页数:8
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