Monte carlo calculations of the thermodynamic properties of mixtures of Lennard-Jones liquids

被引：24

作者：

Singer, K. ^{[1
]}

机构：

[1] Univ London, Royal Holloway Coll, Dept Chem, Surrey, England

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 3卷 / 03期

关键词：

D O I：

10.1016/0009-2614(69)80125-9

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 method for the calculation of thermodynamic functions of binary mixtures from Monte Carlo data is outlined. Values obtained for the excess free energy, volume and enthalpy for a range of binary Lennard-Jones (12-6) liquids are compared with the predictions of three versions of the APM-theory.

引用

页码：164 / 166

页数：3

共 8 条

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[8] MONTE CARLO EQUATION OF STATE OF MOLECULES INTERACTING WITH THE LENNARD-JONES POTENTIAL .1. SUPERCRITICAL ISOTHERM AT ABOUT TWICE THE CRITICAL TEMPERATURE
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