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
陈振华,曹堃,姚臻,黄志明
摘要(Abstract):
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。
关键词(KeyWords): PR状态方程;混合规则;临界性质;二元体系
基金项目(Foundation): 国家自然科学基金项目(20576115);; 教育部科学技术研究重点项目(104095)资助
作者(Author): 陈振华,曹堃,姚臻,黄志明
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