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

• Main Authors: Kassim, Mohd Azlan, Sairi, Nor Asrina, Yusoff, Rozita, Aroua, Mohamed Kheireddine
• Format: Conference or Workshop Item
• Published: IOP PUBLISHING LTD 2020
• Subjects: QD Chemistry; TP Chemical technology
• Online Access: http://eprints.um.edu.my/37054/; https://iopscience.iop.org/article/10.1088/1757-899X/778/1/012022
• Institution: Universiti Malaya

Thermophysical properties (densities, rho) 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 rho, the excess molar volumes, V-E was calculated and fitted to the Redlich-Kister equation. The positive V-E 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 sigma-profile and sigma-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.