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梁惠民,汪文川,卢焕章
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Liang Huiming, Wang Wenchuan and Lu Huanzhang Beijing Institute of Chemical Technology, Beijing
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摘要： <正>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.
梁惠民,汪文川,卢焕章. 高密度及多组元方阱位能混合物流体的计算机Monte Carlo模拟 [J]. CIESC Journal.
Liang Huiming, Wang Wenchuan and Lu Huanzhang Beijing Institute of Chemical Technology, Beijing. Computer Monte Carlo Simulation of High Density and Multicomponent Square Well Mixture Fluids[J]. .
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