Present status of the modified UNIFAC model for the prediction of phase equilibria and excess enthalpies for systems with ionic liquids

被引：64

作者：

Hector, Torben ^{[1
]}

Gmehling, Juergen ^{[1
]}

机构：

[1] Carl von Ossietzky Univ Oldenburg Tech Chem, D-26111 Oldenburg, Germany

来源：

FLUID PHASE EQUILIBRIA | 2014年 / 371卷

关键词：

Ionic liquids; Vapor-liquid equilibria; Excess enthalpies; Activity coefficients at infinite dilution; Modified UNIFAC (Dortmund); DIFFERENT THERMODYNAMIC PROPERTIES; INFINITE DILUTION MEASUREMENTS; ACTIVITY-COEFFICIENTS; BINARY-SYSTEMS; 1-BUTYL-3-METHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATE; ORGANIC SOLUTES; POLAR SOLUTES; PLUS ETHANOL; CHROMATOGRAPHY; ALCOHOLS;

D O I：

10.1016/j.fluid.2014.03.006

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The modified UNIFAC (Dortmund) parameter matrix for ionic liquids has been extended. Two new main groups for the anions alkylsulfate [RSO4](-) and hexafluorophosphate [PF6](-) were introduced. Additionally new interaction parameters for pyrrolidinium [RMPYR](+) and pyridinium [RPY](+) cations as well as 1 for trifluoromethanesulfonate [OTF](-) and tetrafluoroborate [BF4](-) anions have been fitted to the available experimental data. In addition existing parameters have been revised. This article will give an overview about the current status of the modified UNIFAC (Dortmund) parameter matrix for ionic liquids. Typical results are presented for various systems. For the further development vapor-liquid equilibria and excess enthalpies were measured. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：82 / 92

页数：11

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