高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (12): 1875.

• 论文 • 上一篇    下一篇

用二元交互作用函数预测高压下多组分体系的气液平衡

刘光恒, 戴树珊   

  1. 云南大学化学系, 昆明 650091
  • 收稿日期:1999-08-02 出版日期:2000-12-24 发布日期:2000-12-24
  • 通讯作者: 刘光恒(1943年出生),男,硕士,副教授,从事物理化学研究.
  • 基金资助:

    云南省自然科学基金(批准号:96B007M)资助

Prediction of Vapor-liquid Equilibria for Multi-component Systems at High Pressure with Binary Interaction Function

LIU Guang-Heng, DAI Shu-Shan   

  1. Department of Chemistry, Yunnan University, Kunming 650091, China
  • Received:1999-08-02 Online:2000-12-24 Published:2000-12-24

摘要: 用和体系的状态有关且满足不变性条件的二元交互作用函数,结合F函数修改的立方状态——方程FRKS方程,预测高压下多组分体系的气液平衡.选择15个三元体系及其组分二元系来检验方法的可行性,这些体系覆盖了从简单的接近理想溶液行为的体系到高度非理想体系.计算结果表明,该方法不仅能相当精确地关联各种类型二元系的气液平衡,而且能在仅用组分二元系参数的条件下较准确地预测所考察的所有三元体系的气液平衡

关键词: 气液平衡, 多组分体系, 交互作用函数

Abstract: The mixing rule recently developed by using the binary interaction function Lij(T, x) depending on the thermodynamic state of a given system, coupled with FRKSequation of state, had been successfully used for calculating the excess properties of wide variety of complex systems.In this work, we further indicated that this mixing rule satisfies the invariance condition and tested the capability of this approach for correlating and predicting vapor-liquid equilibria of highly non-ideal systems at high pressure.Fifteen ternary mixtures and their constituent binaries were selected to do the test.The systems selected cover the range from almost ideal to highly non-ideal mixtures.The correlation results of the binary VLEshow that for highly non-ideal systems, instead of the single optimum Lijvalue, Lijfunction has to be used for correlating their VLEquantitatively.The ternary VLEwere predicted by using parameters of constituent binaries only.The results show that, in the case of simple systems, both single optimum Lijvalue and Lijfunction methods predict the VLEwith nearly the same accuracy; nevertheless, the Lijfunction method shows a slight edge over the single optimum Lijvalue method.For the complex systems containing hydrogen, polar and associated components, while the single Lijmethod fails to represent their VLE, the Lijfunction approach can predict the VLEfor all of these complex systems accurately.The predicted results are in good agreement with the experimental data。

Key words: Vapor-liquid equilibria, Multi-component system, Interaction function

中图分类号: 

TrendMD: