Abstract
The random combination of cation and anion makes ionic liquids to be “designer solvents,” meanwhile at least a million binary ILs can potentially be constructed by adjusting the anion, length, position, or the number of alkyl chain on the organic cation. It is tedious, time-consuming, and almost impossible to measure the properties of all ILs by experiment. Thus, predictive thermodynamic models are urgently needed for the tailor-making of ionic liquids for specific tasks. In this chapter, the state of the art of famous and widely used predictive thermodynamic approaches for ionic liquids is classified into two types: activity coefficient models (COSMO-based model, UNIFAC-based model, QSPR/QSAR model, and RST model) and equation of state (EOS) models (SAFT-based EOS, GC EOS, and lattice models), are addressed.
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