Alternative implementations of the Gibbs ensemble Monte Carlo calculation

被引：26

作者：

Kristof, T

Liszi, J

机构：

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

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 261卷 / 06期

关键词：

D O I：

10.1016/0009-2614(96)01012-3

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：

Two new versions (NpH and mu VL) of the Gibbs ensemble Monte Carlo simulation for pure fluids are suggested. These procedures allow the change of heat between the correlated subsystems. In the determination of the vapour-liquid coexistence, the capability of the new algorithms is similar to that of the original (NVT) method, however, in the determination of the vapour pressure curves, the NpH version has some advantage over the others.

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页码：620 / 624

页数：5

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