FREE-ENERGY COMPUTATIONS FOR MIXTURES OF STOCKMAYER AND POLARIZABLE LENNARD-JONES FLUIDS

被引：16
|
作者：
MOOIJ, GCAM
DELEEUW, SW
WILLIAMS, CP
SMIT, B
机构：
[1] LAB FYS CHEM,1018 WS AMSTERDAM,NETHERLANDS
[2] AMSTERDAM SHELL RES BV,KONINKLIJKE SHELL LAB,1003 AA AMSTERDAM,NETHERLANDS
来源：
MOLECULAR PHYSICS | 1990年 / 71卷 / 04期
关键词：
D O I：
10.1080/00268979000102211
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：
Molecular-dynamics calculations are presented for mixtures of polarizable Lennard-Jones and Stockmayer particles. The free energy of mixing is determined as a function of the polarizability. These calculations show that an immiscible mixture of (non-polarizable) Lennard-Jones and Stockmayer molecules can become miscible by adding a sufficiently high polarizability to the Lennard-Jones molecules. © 1990 Taylor & Francis Group, LLC.
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页码：909 / 911
页数：3
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