Computer Monte Carlo Simulation of High Density and Multicomponent Square Well Mixture Fluids

Liang Huiming; Wang Wenchuan and Lu HuanzhangBeijing Institute of Chemical Technology; Beijing

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Computer Monte Carlo Simulation of High Density and Multicomponent Square Well Mixture Fluids

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- Computer Monte Carlo Simulation of High Density and Multicomponent Square Well Mixture Fluids
- CIESC Journal Issue 5, (1990)
- 作者机构：
  
  北京化工学院化工系,北京化工学院化工系,北京化工学院化工系 ,北京,北京,北京
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：25 October 1990，
  
  Published：25 October 1990
- 稿件说明：
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Liang Huiming, Wang Wenchuan and Lu HuanzhangBeijing Institute of Chemical Technology, Beijing. Computer Monte Carlo Simulation of High Density and Multicomponent Square Well Mixture Fluids[J]. CIESC Journal, 1990, (5).
DOI：

Liang Huiming, Wang Wenchuan and Lu HuanzhangBeijing Institute of Chemical Technology, Beijing. Computer Monte Carlo Simulation of High Density and Multicomponent Square Well Mixture Fluids[J]. CIESC Journal, 1990, (5). DOI：

摘要

流体的热力学宏观性质由其微观结构所支配

因此许多研究者用计算机Monte Carlo模拟(MC)或分子动力学模拟(MD)方法

力求得到流体的微观结构的真实图象

并据此建立推算或预测流体宏观性质的热力学模型.

Abstract

A computer Monte Carlo simulation program for square well potential mixture fluids is developed. It can effectively remove the overlaps between moleculas to produce the initial configuration at high densities. Distribution functions and coordination numbers at ρ*>0.9

and σ22/σ11= 5.0 for binary systems

and ternary systems models are obtained. Comparisons between simulated and calculated results from current models show that would lead to our simulation data.

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