新的局部组成混合规则模型和汽液平衡数据的关联计算

A New Local Composition Mixing Rule Model and VLE Correlation

从径向分布函数理论导出一个简单而合理的分子配位数计算公式,进而建立了新的局部组成模型,该模型简化后与改进的Peng-Robinson状态方程结合,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 predictive model for the coordination number was proposed on the basis of the theory of radial distribution function. It was tested extensively by the Monte Carlo computer simulation data of square-well fluids.This model could predict the properties of square-well fluids with reasonable accuracy and no more parameters were needed. A simple local composition mixing rule independent of density was established and combined with the modified Peng-Robinson equation of state to constract a new vapor liquid equilibrium calculation method. This new method was used to correlate the vapor liquid equilibrium data for nonideal mixtures at low pressure successfully.