Dai Z, Wang L, Lu X, Ji X. Melting points of ionic liquids: Review and evaluation. Green Energy & Environment. 2024/02/08/ 2024. https://doi.org/10.1016/j.gee.2024.01.009
Abstract: The melting points of ionic liquids (ILs) reported since 2020 were surveyed, collected, and reviewed, which were further combined with the previous data to provide a database with 3129 ILs ranging from 177.15 to 645.9 K in melting points. In addition, the factors that affect the melting point of ILs from macro, micro, and thermodynamic perspectives were summarized and analyzed. Then the development of the quantitative structure-property relationship (QSPR), group contribution method (GCM), and conductor-like screening model for realistic solvents (COSMO-RS) for predicting the melting points of ILs were reviewed and further analyzed. Combined with the evaluation together with the preliminary study conducted in this work, it shows that COSMO-RS is more promising and possible to further improve its performance, and a framework was thus proposed.
This work provides a theoretical tool to screen ionic liquids for developing novel electrolytes for the EPOCH project.