Re-examination and symmetrization of the adjustable parameters of the ERAS model -: Review on its formulation and application

被引：34

作者：

Piñeiro, A ^{[1
]}

Amigo, A ^{[1
]}

Bravo, R ^{[1
]}

Brocos, P ^{[1
]}

机构：

[1] Univ Santiago, Dept Fis Aplicada, Fac Fis, E-15706 Santiago, Spain

来源：

FLUID PHASE EQUILIBRIA | 2000年 / 173卷 / 02期

关键词：

ERAS model; Flory's theory; excess function; binary mixture; complexation constant; simulated annealing method;

D O I：

10.1016/S0378-3812(00)00431-3

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

This paper presents an intensive revision of the application of the extended real association solution (ERAS) model for binary mixtures containing one or both self-associating compounds. We suggest new definitions for the complexation constant K-AB and for the Flory's parameter X-AB, which involve a symmetrization of the model with respect to the change A <---->, B in addition to endow these parameters with a clearer physical meaning. The new expresions for KAB and XAB also imply an extension of the model for application to any binary mixture exhibiting cross-association regardless of the relative degree of self-association of the components. A critical review on the formulation and application of the model is performed in order to clarify several disagreeing points in papers related to this matter. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：211 / 239

页数：29

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