摘要
从径向分布函数理论得到一个简单而合理的分子配位数计算公式，进而导出了一个不同于前人工作的局部组成模型，该模型简化后与改进的Peng-Robinson方程结合，在各类非理想体系汽液平衡计算中取得了满意的结果。
A new method to calculate the coordination number was developed. Based on this formula, a simple local mole fraction (LMF) mixing rule was presented and combined with the modified Peng-Robinson equation of state to correlate vapor-liquid equilibrium data for strongly nonideal mixtures at low pressure successfully.
关键词
局部组成
混合规则
汽液平衡
状态方程
关联计算
local composition
mixing rules
vapor-liquid equilibrium
equation of state
