Melting-Point Estimation of Ionic Liquids by a Group Contribution Method |
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| Authors: | Claudia L Aguirre Luis A Cisternas José O Valderrama |
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| Affiliation: | (1) Chemical and Mineral Process Engineering Department, University of Antofagasta, Campus Coloso s/n, Antofagasta, Chile;(2) Mechanical Engineering Department, University of La Serena, Casilla 554, La Serena, Chile;(3) Center for Technological Information (CIT), Casilla 724, La Serena, Chile |
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| Abstract: | Based on experimental data collected from the literature, a group contribution method for estimating the melting points of
imidazolium-, pyridinium-, pyrrolidinium-, ammonium-, phosphonium-, and piperidinium-based ionic liquids (ILs) with common
anions is proposed. The method considers the contributions of ionic groups and methylene groups, as additive parameters, and
two nonadditive characteristic geometric parameters of cations such as symmetry and flexibility. A total of 293 data points
for 136 ILs were used in this study. The average relative deviation and the average absolute deviation of the proposed model
are 7.8% and 22.6 K, respectively. It is concluded that the proposal is useful for the prediction of the melting points for
a wide range of ILs. |
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