Generalization of Guggenheim's combinatorial activity coefficient equation

被引：8

作者：

Krooshof, Gerard J. P. ^{[1
]}

Tuinier, Remco ^{[2
]}

de With, Gijsbertus ^{[2
]}

机构：

[1] DSM Mat Sci Ctr, POB 1066, NL-6160 BB Geleen, Netherlands

[2] Eindhoven Univ Technol, Dept Chem Engn & Chem, Phys Chem Lab, POB 513, NL-5600 MB Eindhoven, Netherlands

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2018年 / 266卷

关键词：

Combinatorial; Lattice theory; Entropy of mixing; EXCESS GIBBS ENERGY; LIQUID-MIXTURES; STATISTICAL THERMODYNAMICS; MODEL; PREDICTION; EXPRESSION; SIZE;

D O I：

10.1016/j.molliq.2018.06.092

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We revisit Guggenheim's theory to demonstrate that the change in Gibbs energy of athermally mixing molecules can be generalized into a model that requires only the mole fraction, volume and contact area of the various molecules. Subsequently, we obtain a general formula for the combinatorial activity coefficient for mixtures of molecules differing in size and shape. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：467 / 471

页数：5

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