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.

引用

页码：973 / 983

页数：11

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