QSPR Modeling of Liquid-liquid Equilibria in Two-phase Systems of Water and Ionic Liquid.

The increasing application of new ionic liquids (IL) creates the need of liquid-liquid equilibria data for both miscible and quasi-immiscible systems. In this study, equilibrium concentrations at different temperatures for ionic liquid+water two-phase systems were modeled using a Quantitative-Structure-Property Relationship (QSPR) method. Data on equilibrium concentrations were taken from the ILThermo Ionic Liquids database, curated and used to make models that predict the weight fraction of water in ionic liquid rich phase and ionic liquid in the aqueous phase as two separate properties.