Experimental Densities of Binary mixture of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide or sulfolane with monoethanolamine and their molecular interaction by COSMO-RS

Abstract

Thermophysical properties (densities, ρ) was measured for the binary mixtures of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [BMIM][NTf2] and sulfolane with monoethanolamine (MEA) over the entire range of composition, and at different temperatures from T = (303.15 to 343.15) K. From experimental data of ρ, the excess molar volumes, VE was calculated and fitted to the Redlich-Kister equation. The positive VE values were observed for both of the systems indicating expansion of volume due to breakage of MEA-MEA intramolecular hydrogen bond by addition of [BMIM][NTf2] or sulfolane. Subsequently, a quantum chemical-based COSMO-RS modelling was used to predict the molecular interaction based on non-ideal liquid phase σ-profile and σ-potential for all mixtures. It has been interpreted that weak interaction for [BMIM][NTf2] (1) + MEA (2) and MEA (2) + sulfolane (3) system. A discussion was carried out in terms of interactions and structure factors in these binary mixtures based on results obtained.