GC-EoS extension to alkylphosphate imidazolium ionic liquids

Abstract

In this work, the Group Contribution Equation of State (GC-EoS) is extended to model two new ionic liquid families, namely, 1-alkyl-3-methylimidazolium dimethylphosphate ([-MeIm] + [Me2PO4]-) and 1-alkyl-3-methylimidazolium diethylphosphate ([-MeIm] + [Et2PO4]-). Pure group parameters for the functional groups [-MeIm] + [Me2PO4]-and [-MeIm] + [Et2PO4]and interaction parameters between these groups and the main paraffinic and aromatic subgroups (CH3, CH2, ACH, AC, ACCH3, CH2=CH) were estimated using infinite dilution activity coefficients data from literature. In order to evaluate the performance of the new parameters, the model was challenged against experimental data on phase behavior of binary mixtures, showing an average relative deviation of 4.5%.

Solubility of CO2 in three cellulose‐dissolving ionic liquids

“…In a previous publication, de Pablo Nisa et al 43 correlated some GC‐EOS parameters using infinite dilution activity coefficients of hydrocarbon in imidazolium and phosphate‐based IL. Pure parameters for the groups ‐mimDEP and ‐mimDMP and the corresponding binary interaction parameters with typical hydrocarbon groups were determined.…”