【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.更多还原

【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.更多还原