A Simple Group-Interaction Contribution Method for the Prediction of the Freezing Point of Ionic Liquids

Khadra Mokadem, Belfar Mohemed Lakhdar, K. Tumba, Abdulqader Saad Abed, M. Korichi
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Abstract

A linear model based on group-interaction contributions is proposed for the estimation of the freezing temperature (Tf) of ionic liquids (ILs). This property is important for modelling solid-liquid equilibrium and selecting ionic liquids as reaction media among other things. A database of 66 experimental freezing points different ionic liquids was used to obtain all interaction contribution parameters and model constants. The database included various classes of ionic liquids and a wide range of cation and anion groups., with an average absolute relative deviation of 4,09% and a correlation coefficient of 0,93.
预测离子液体凝固点的一种简单的基团相互作用贡献法
提出了一个基于基团相互作用贡献的线性模型来估计离子液体的冻结温度。这一性质对于模拟固液平衡和选择离子液体作为反应介质具有重要意义。利用66种不同离子液体的实验凝固点数据库,得到了所有相互作用贡献参数和模型常数。该数据库包括各种类型的离子液体和广泛的阳离子和阴离子基团。,平均绝对相对偏差为4.09%,相关系数为0.93。
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