Application of a new Gibbs ensemble Monte Carlo method to site-site interaction model fluids

被引：0
|
作者：
Kristof, T
Liszi, J
机构：
[1] Department of Physical Chemistry, University of Veszprem, Veszprem, H-8201
来源：
MOLECULAR PHYSICS | 1997年 / 90卷 / 06期
关键词：
D O I：
10.1080/002689797172039
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 new Gibbs ensemble Monte Carlo simulation method has been tested for rigid site-site interaction model fluids. In this method the total system is considered at constant enthalpy, pressure and number of particles. Vapour-liquid equilibrium data were determined for a potential model of liquid carbon disulphide and a potential model of liquid hydrogen sulphide. Conventional Gibbs ensemble Monte Carlo simulations were also carried out for comparison. The two methods yielded essentially the same results, but the new scheme showed some advantages.
引用
收藏
页码：1031 / 1034
页数：4
相关论文
共 50 条
12345