基于PR状态方程的二元体系临界性质计算中不同混合规则对比

Comparison of Different Mixing Rules in the Calculation of Critical Properties for Binary Mixtures Based on PR Equation of State

基于PR状态方程,结合四种不同混合规则,利用Heidemann和Khalil的临界性质计算方法,关联了二十一种不同二元体系的临界温度并预测了其临界压力,其中包括非极性、极性和缔合三类体系。对临界温度的关联结果表明,四种混合规则对所有体系均适用。对临界压力的预测结果表明,四种混合规则中van der Waals-1及Panagiotopoulos-Reid混合规则对非极性-极性(四偶极)体系的估算精度高,而van der Waals-2和Sadus van derWaals-2混合规则更适用于非极性-非极性体系及极性-极性(四偶极)体系。对于缔合体系,随着组分缔合能力的增强,四种混合规则的预测误差均增大,除含1-丁醇及苯组分的体系外有待于寻找更合适的状态方程及混合规则。

Based on the PR equation of state, four different mixing rules were adopted to calculate the critical properties of twenty-one binary mixtures including nonpolar, polar and associating system. A computational procedure described by Heidemann and Khalil was followed. The simulation results show that all the four mixing rules adopted can be used successfully to correlate the experimental critical temperatures of above twenty-one binary mixtures. The results of predicting the relative critical pressure indicat...