LOCAL COMPOSITION IN TERNARY LENNARD-JONES LIQUID-MIXTURES - MOLECULAR-DYNAMICS SIMULATION AND A SIMPLE CORRELATION

被引：5
作者：
ABUSLEME, JA
NAKANISHI, K
VERA, JH
机构：
[1] KYOTO UNIV,DEPT IND CHEM,KYOTO 606,JAPAN
[2] KYOTO UNIV,DIV MOLEC ENGN,KYOTO 606,JAPAN
[3] MCGILL UNIV,DEPT CHEM ENGN,MONTREAL H3A 2T5,QUEBEC,CANADA
[4] KYOTO UNIV,GRAD SCH ENGN,KYOTO 606,JAPAN
来源：
FLUID PHASE EQUILIBRIA | 1990年 / 58卷 / 1-2期
关键词：
D O I：
10.1016/0378-3812(90)87006-B
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
Molecular dynamics calculations have been carried out for binary and ternary Lennard-Jones liquid mixtures. Local compositions (LC) within the first peak of radial distribution function (RDF) have been evaluated. These mixtures show rather smaller deviation from ideality than with previously used models and the dependence of the LC on attractive interaction is the reverse of that of the peak height of RDF. A simple correlation is derived between LC and the peak height, based on a Wilson type equation. © 1990.
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页码：81 / 92
页数：12
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