Computation of normal melting temperature of ionic liquids using a group contribution method

被引：46

作者：

Gharagheizi, Farhad ^{[1
]}

Ilani-Kashkouli, Poorandokht ^{[1
]}

Mohammadi, Amir H. ^{[2
,3
]}

机构：

[1] Islamic Azad Univ, Dept Chem Engn, Buinzahra Branch, Buinzahra, Iran

[2] MINES ParisTech, CEP TEP Ctr Energet & Proc, F-77305 Fontainebleau, France

[3] Univ KwaZulu Natal, Thermodynam Res Unit, Sch Chem Engn, ZA-4041 Durban, South Africa

来源：

FLUID PHASE EQUILIBRIA | 2012年 / 329卷

关键词：

Normal melting temperature; Ionic liquids; Group contribution; Reliable model; POINTS; PREDICTION; BROMIDES;

D O I：

10.1016/j.fluid.2012.05.017

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

In this communication, a comprehensive literature survey has been performed to provide a data set for the normal melting temperature (T-m) of 799 ionic liquids (ILs) from various 143 references. Using this data set, an accurate group contribution method has been developed to estimate the T-m of ILs. The model employs a total of 80 sub-structures to predict the T-m of Its. To better distinct the effects of anion and cation on the latter property, 31 sub-structures related to chemical structure of anion, and 49 substructures related to the chemical structure of cation have been implemented. The results of this method show a low average relative deviation (AARD%) of 5.82% for a data set including 799 ILs. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：1 / 7

页数：7

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