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

Kassim, Mohd Azlan and Sairi, Nor Asrina and Yusoff, Rozita and Aroua, Mohamed Kheireddine (2020) Experimental densities of binary mixture of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide or sulfolane with monoethanolamine and their molecular interaction by COSMO-RS. In: 26th Regional Symposium on Chemical Engineering (RSCE), 30-31 October 2019, Kuala Lumpur, Malaysia.

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Official URL: https://iopscience.iop.org/article/10.1088/1757-89...

Abstract

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.

Item Type: Conference or Workshop Item (Paper)
Funders: UNSPECIFIED
Additional Information: 26th Regional Symposium on Chemical Engineering (RSCE), Kuala Lumpur, Malaysia, Oct 30-31, 2019
Uncontrolled Keywords: Redlich-Kister; Excess molar volume; MEA; Sulfolane; Ionic liquid; COSMO-RS model
Subjects: Q Science > QD Chemistry
T Technology > TP Chemical technology
Divisions: Faculty of Engineering > Department of Chemical Engineering
Faculty of Science > Department of Chemistry
Depositing User: Ms Zaharah Ramly
Date Deposited: 02 Jun 2023 01:24
Last Modified: 02 Jun 2023 01:24
URI: http://eprints.um.edu.my/id/eprint/37054

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