Direct determination of phase behavior of square-well fluids

被引：89

作者：

Liu, HJ ^{[1
]}

Garde, S ^{[1
]}

Kumar, S ^{[1
]}

机构：

[1] Rensselaer Polytech Inst, Dept Chem & Biol Engn, Troy, NY 12180 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 17期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1063/1.2085051

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：

We have combined Gibbs ensemble Monte Carlo simulations with the aggregation volume-biased method in conjunction with the Gibbs-Duhem method to provide the first direct estimates for the vapor-solid, vapor-liquid, and liquid-solid phase coexistences of square-well fluids with three different ranges of attraction. Our results are consistent with the previous simulations and verify the notion that the vapor-liquid coexistence behavior becomes metastable for cases where the attraction well becomes smaller than 1.25 times the particle diameter. In these cases no triple point is found. (c) 2005 American Institute of Physics.

引用

页数：4

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