Analysis of the UNIFAC-type group-contribution models at the highly dilute region .1. Limitations of the combinatorial and residual expressions

被引：20

作者：

Voutsas, EC

Tassios, DP

机构：

[1] Lab. Thermodyn. Transp. Phenomena, Department of Chemical Engineering, Natl. Technical University of Athens, 15780 Athens

来源：

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 1997年 / 36卷 / 11期

关键词：

D O I：

10.1021/ie960770c

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

An analysis of the behavior of UNIFAC-type group-contribution models at the infinite-dilution region is presented. It is shown that the modified UNIFAC and Entropic-FV combinatorial expressions account satisfactorily for the combinatorial effects, but not the Flory-Huggins and original UNIFAC ones. It is also shown that available residual terms fail to account sufficiently for the residual effects, performing actually better when combined with the aforementioned poorer Flory-Huggins and original UNIFAC combinatorial expressions. The ensuing implications of these limitations of the residual terms on the accuracy of infinite-dilution activity coefficient correlation are then demonstrated.

引用

页码：4965 / 4972

页数：8

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