Modeling the Vapor Liquid Equilibria of Ionic Liquids Containing Perfume Raw Materials

Abstract

[EN] In this work, the vapor liquid equilibria of binary and multinary systems comprise perfume raw materials and ionic liquids have been computed using two different models: COSMO-RS, a solvation model, and UNIFAC, a group contribution method. For systems already well-known in the literature, a comparison with experimental data was performed, and good agreement was observed with both models. Although UNIFAC was not applicable to non-parametrized ionic liquids, COSMO-RS proved very reliable in predicting the vapor liquid equilibria of solutions of perfume raw materials in new-to-the world ionic liquids. This opens the door for the prediction and modeling of new formulations for novel consumer products, prior to embarking on detailed experimental investigations.