Gibbs Ensemble Monte-Carlo方法及其应用

计算物理 ›› 2000, Vol. 17 ›› Issue (4): 455-458.

Gibbs Ensemble Monte-Carlo方法及其应用

王克纲^1,2, SIEPMANN I²

1. 北京理工大学应用物理系, 北京 100081;
2. University of Minnesota, Minnesota, USA

收稿日期:1998-07-20 修回日期:1999-08-01 出版日期:2000-07-25 发布日期:2000-07-25
作者简介:王克纲(1964~),男,副研究员,北京白石桥路7号59单元14号100081.

GIBBS ENSEMBLE MONTE-CARLO SIMULATION AND ITS APPLICATION

WANG Ke-gang^1,2, SIEPMANN I²

1. Beijing Institute of Technology, Beijing 100081, P R China;
2. University of Minnesota, Minnesota, USA

Received:1998-07-20 Revised:1999-08-01 Online:2000-07-25 Published:2000-07-25

摘要/Abstract

摘要： 介绍一种新的且非常实用的Gibbs Ensemble Monte-Carlo模拟技术。并给出模拟甲烷和氟甲烷混合物的液体-液体相图以及Lennard-Jones混合物相图。将模拟的相图与实验得出的相图进行了对比。

关键词: Monte-Carlo模拟, 相图, 有机混合物

Abstract: It introduces a Gibbs Ensemble Monte-Carlo method,which was recently invented.This method has been applied for studying the phase diagrams of Lennard-Jones mixtures,and Methane and Tetrafluoromethane.The obtained results of simulations are in good agreement with experimental and previous results.

Key words: Monte-Carlo simulation, phase diagram, organic mixtures

中图分类号:

王克纲, SIEPMANN I. Gibbs Ensemble Monte-Carlo方法及其应用[J]. 计算物理, 2000, 17(4): 455-458.

WANG Ke-gang, SIEPMANN I. GIBBS ENSEMBLE MONTE-CARLO SIMULATION AND ITS APPLICATION[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2000, 17(4): 455-458.

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