Extension of the A-UNIFAC model to mixtures of cross- and self-associating compounds

被引：33

作者：

Ferreira, O

Macedo, EA

Bottini, SB

机构：

[1] Univ Nacl Sur, CONICET, PLAPIQUI, RA-8000 Bahia Blanca, Buenos Aires, Argentina

[2] Univ Porto, Fac Engn, LSRE, Dept Engn Quim, P-4200465 Oporto, Portugal

来源：

FLUID PHASE EQUILIBRIA | 2005年 / 227卷 / 02期

关键词：

model; activity coefficients; association; group-contribution;

D O I：

10.1016/j.fluid.2004.11.009

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

In the present work an extended UNIFAC group contribution model is used to calculate activity coefficients in solutions containing alcohols, water. carboxylic acids. esters, alkanes and aromatic hydrocarbons. The limiting expressions for the association contribution to the activity coefficients at infinite dilution are presented and discussed. A new set of interaction parameters between associating and non-associating functional groups is reported. This set of parameters is applied in the association model to predict vapor-liquid, liquid-liquid equilibrium and infinite dilution activity coefficients. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：165 / 176

页数：12

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