Experimental densities of binary mixture of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide or sulfolane with monoethanolamine and their molecular interaction by COSMO-RS
Document Type
Conference Item
Publication Date
1-1-2020
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.
Keywords
Redlich-Kister, Excess molar volume, MEA, Sulfolane, Ionic liquid, COSMO-RS model
Divisions
sch_che,CHEMISTRY
Volume
778
Publisher
IOP PUBLISHING LTD
Publisher Location
DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
Event Title
26th Regional Symposium on Chemical Engineering (RSCE)
Event Location
Kuala Lumpur, Malaysia
Event Dates
30-31 October 2019
Event Type
conference
Additional Information
26th Regional Symposium on Chemical Engineering (RSCE), Kuala Lumpur, Malaysia, Oct 30-31, 2019