Effective intermolecular potential for fluid hydrogen sulfide

被引：101

作者：

Kristof, T

Liszi, J

机构：

[1] Department of Physical Chemistry, University of Veszprém, H-8201 Veszprém

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 1997年 / 101卷 / 28期

关键词：

D O I：

10.1021/jp9707495

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 recently developed version of the Gibbs ensemble Monte Carlo technique is used for the determination of vapor-liquid equilibria of potential models for hydrogen sulfide. By fitting to experimental saturation properties of the substance, an optimized effective pair potential is parametrized on the basis of an existing four-site model of Lennard-Jones plus point charge type. The new model reproduces well also the critical properties and the structural characteristics of the substance.

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收藏

页码：5480 / 5483

页数：4

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