Density-functional theory for fluids in porous media

被引:42
|
作者
Schmidt, M [1 ]
机构
[1] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany
来源
PHYSICAL REVIEW E | 2002年 / 66卷 / 04期
关键词
D O I
10.1103/PhysRevE.66.041108
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
As models for substances adsorbed within amorphous solid matrices, we consider mixtures of spheres with either hard or ideal interactions where several (matrix) components are quenched and the remaining (adsorbate) components are equilibrated. We propose a density-functional theory, based on the exact zero-dimensional limit, which treats both matrix and adsorbate components on the level of the respective one-body density profiles. As a test, we calculate pair correlation functions for hard spheres adsorbed in either a hard sphere or an ideal sphere matrix, and find good agreement with our computer simulation results.
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页数:7
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