Group Contribution Estimation of Ionic Liquid Melting Points: Critical Evaluation and Refinement of Existing Models.

ABSTRACT: While several group contribution method (GCM) models have been developed in recent years for the prediction of ionic liquid (IL) properties, some challenges exist in their effective application. Firstly, the models have been developed and tested based on different datasets; therefore, direct comparison based on reported statistical measures is not reliable. Secondly, many of the existing models are limited in the range of ILs for which they can be used due to the lack of functional group parameters. In this paper, we examine two of the most diverse GCMs for the estimation of IL melting point; a key property in the selection and design of ILs for materials and energy applications. A comprehensive database consisting of over 1300 data points for 933 unique ILs, has been compiled and used to

SUBMITTER: Mital DK 

PROVIDER: S-EPMC8122861 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature