화학공학소재연구정보센터
Fluid Phase Equilibria, Vol.329, 1-7, 2012
Computation of normal melting temperature of ionic liquids using a group contribution method
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.