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Calculation of Vapor-Liquid Equilibrium Data from Excess Thermodynamic Properties(Ⅱ) ——from Excess Volume

Zheng Chi Tang Peimin Shanghai Design Institute East China Institute of of Pharmaceutical Industry Chemical Technology   

  • Online:1981-12-25 Published:1981-12-25

从过量热力学性质求汽液平衡数据(Ⅱ)——过量体积法

郑炽,汤沛民   

  1. 上海医药设计院 ,华东化工学院

Abstract: Starting from isothermal excess volume data (two or more than two sets), and based on the "pseudo-2-fluid theory", a computation procedure of vapor-liquid equilibrium data is proposed: (1) Calculation of characteristic parameters of pure components:Vi, Pi and Ti; (2) Calculation of characteristic parameters of pseudocomponents:Vim, Pim and Tim;(3) Calculation of excess enthalpy H; (4) Calculation of Gibbs free energy G or its Q function; (5) Calculation of bubble point; ( 6 ) Calculation of vapor-liquid equilibrium data. The computation results for benzene-cyclohexane, benzene-n-hexane, ben-zene-n-heptane, benzene-n-octane, carbon tetra chloride-benzene, carbon te-trachloride-cyclohexane and carbon tetrachloride-n-heptane, compared with the corresponding vapor-liquid equilibrium experimental data and the data calculated directly from excess enthalpy, are satisfactory. Therefore, the proposed computation procedure is also appropriate to non-polar and slightly polar binary systems under relatively low pressures.

摘要: 从两组或两组以上不同温度的过量体积数据出发,基于“虚拟二液理论”,提出了一套计算汽液平衡数据的程序:(1)求纯组分的特性参数V_i~*,P_i~*和T_i~*(2)求虚拟组分的特性参数V_(im)~*,P_(im)和T_(im)~*(3)求过量焓H~E;(4)求Gibbs过量自由能G~E或其函数Q;(5)求泡点;(6)求汽液平衡数据。 对苯-环己烷、苯-正己烷、苯-正庚烷、苯-正辛烷、四氯化碳-苯、四氯化碳-环己烷及四氯化碳-正庚烷的计算结果,与相应的汽液平衡实验数据比较,并与直接从过量焓求汽液平衡数据的计算结果进行对比,比较满意。因此,本计算程序也可适用于低压下的非极性或弱极性二元系统。