A group contribution method for estimation of glass-transition temperature of 1,3-dialkylimidazolium ionic liquids

被引：19
作者：
Gharagheizi, Farhad [1 ]
Keshavarz, Mohammad Hossein [2 ]
Ilani-Kashkouli, Poorandokht [1 ]
Farahani, Nasrin [3 ]
Tumba, Kaniki [4 ]
机构：
[1] Islamic Azad Univ, Buinzahra Branch, Dept Chem Engn, Buinzahra, Iran
[2] Malek Ashtar Univ Technol, Dept Chem, Esfahan, Iran
[3] Islamic Azad Univ, Buinzahra Branch, Dept Chem, Buinzahra, Iran
[4] Mangosuthu Univ Technol, Dept Chem Engn, Durban, South Africa
来源：
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY | 2013年 / 114卷 / 03期
关键词：
Glass-transition temperature; Ionic liquids; Group contribution; Reliable model; STRUCTURE-PROPERTY RELATIONSHIP; LOWER FLAMMABILITY LIMIT; NONELECTROLYTE ORGANIC-COMPOUNDS; GROUP-CONTRIBUTION MODEL; FLASH-POINT TEMPERATURE; QSPR MOLECULAR APPROACH; PURE COMPOUNDS; THERMODYNAMIC FUNCTIONS; STANDARD ENTHALPY; SURFACE-TENSION;
D O I：
10.1007/s10973-012-2907-0
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
Glass-transition temperature (T (g)) of ionic liquids (ILs) plays a key role in assessment of their potential for electrolyte application purposes. In this communication, a new group contribution model is presented for the prediction of the T (g) of 1,3-dialkylimidazolium, a class of ILs, which has great potentialities to serve as electrolyte. To develop this model, the contribution of ILs' anions and cations is separately considered. This simple model shows a low average relative deviation of 1.94 % for a data set including 109 experimental glass-transition temperature.
引用
收藏
页码：1363 / 1382
页数：20
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