Semi-analytical hard sphere reference system theory for solvent-mediated potential (III): test and application to system with general interaction potentials

被引：22

作者：

Zhou, SQ ^{[1
]}

机构：

[1] Zhuzhou Inst Technol, Res Inst Modern Stat Mech, Zhuzhou 412008, Hunan, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 399卷 / 4-6期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1016/j.cplett.2004.09.100

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 semi-analytical hard sphere reference system theory for calculation of solvent-mediated potential (SMP) is formulated for asymmetrical binary hard sphere mixture based on a recently proposed universal framework by the first two Letters of the series. Accuracy of the present semi-analytical theory for SMP and solid-liquid transition is affirmed. A theoretical way is devised to apply the reference system theory to SMP for case of general potentials, here a Lennard-Jones solvent bath, and the agreement between theory and available simulation data is satisfactory. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：315 / 322

页数：8