THE STRUCTURE OF FLUIDS CONFINED TO SPHERICAL PORES - THEORY AND SIMULATION

被引：86
|
作者：
CALLEJA, M
NORTH, AN
POWLES, JG
RICKAYZEN, G
机构：
[1] Physics Laboratory, The University, Kent, Canterbury
来源：
MOLECULAR PHYSICS | 1991年 / 73卷 / 05期
关键词：
D O I：
10.1080/00268979100101701
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：
A study of the density profiles of a hard sphere and a Lennard-Jones fluid confined to spherical pores has been carried out using both computer simulation and a density functional proposed by Rickayzen and Augousti. For hard sphere fluids very good agreement between the results of theory and simulation are obtained. For the Lennard-Jones fluid, there is reasonable agreement between theory and simulation at the highest temperature studied (T = 2.01 T(c)) but the agreement deteriorates as the temperature of the fluid is reduced.
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页码：973 / 983
页数：11
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