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Comptes Rendus Chimie
Sous presse. Epreuves corrigées par l'auteur. Disponible en ligne depuis le samedi 14 juillet 2012
Doi : 10.1016/j.crci.2012.04.011
Received : 7 February 2012 ;  accepted : 10 April 2012
Data selection and estimation of the normal melting temperature of ionic liquids using a method based on homologous cations
 

José O. Valderrama a, ⁎, b , Roberto E. Rojas c
a University of La Serena, Faculty of Engineering, Department of Mechanical Engineering, Casilla 554, La Serena, Chile 
b Center for Technological Information (CIT), c/Monseñor Subercaseaux 667, La Serena, Chile 
c University of La Serena, Faculty of Sciences, Department of Chemistry, Casilla 554, La Serena, Chile 

Corresponding author.
Abstract

A simple method based on homologous series for data selection and estimation of the normal melting temperature of ionic liquids is proposed. As known, the values of physicochemical properties of compounds having either homologous cations or anions follow a regular smooth pattern, a characteristic that can help in determining the presence of outliers in a set of experimental data. This characteristic of regular smooth pattern also facilitates the calculation of properties of a given substance by knowing the same property for another substance that has the same cation or anion. A selected database of melting temperature data of ionic liquids available in the literature was constructed and used for determining the melting temperature of those substances for which homology was possible to be applied. The results show that the values determined for the normal melting temperature are accurate enough for engineering calculations and that the melting temperature can be predicted with average uncertainty similar to some experimental data.


Keywords : Ionic liquids, Melting temperature, Homologous series, Molecular structure


OutlineMasquer le plan
Introduction
Melting temperature
Properties of homologous series
Data selection
Results and discussion
Conclusions


© 2012  Published by Elsevier Masson SAS de la part de Académie des sciences.
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