abstract
This work discusses the potential of two phosphonium-based ionic liquids (ILs), [P-6,P-6,P-6,P-14]Cl and [P-6,P-6,P-6,P-14][(C8H17)(2)PO2], and one methylimidazolium-based IL, [C(4)rnim][OAc], as entrainers in the fractionation of terpene mixtures, in the desulfurization and denitrification of fuel oils, and in the separation of aromatics from aliphatic hydrocarbons. To this aim, the activity coefficients at infinite dilution of 45 solutes were obtained by gas-chromatography in the temperature range (333.15-458.15) K. Selectivities and capacities were calculated showing that [P-6.6.6,P-14]Cl is adequate for the fractionation of (-)-menthone/L-(-)-menthol mixture, being also a suitable option for the deterpenation of citrus essential oil, and the removal of thiophene and pyridine from aliphatic hydrocarbons. To complement the experimental measurements COSMO-RS model was tested, demonstrating good potential to screen separation agents and give insights for several important separation problems, including the removal of contaminants from fuels and the isolation, fractionation and purification of terpenes mixtures. (C) 2020 Elsevier B.V. All rights reserved.
keywords
DILUTION ACTIVITY-COEFFICIENTS; CITRUS ESSENTIAL OIL; EXTRACTION PHASE-EQUILIBRIUM; INFINITE DILUTION; COSMO-RS; ORGANIC-COMPOUNDS; SOLVENT-EXTRACTION; MODEL SYSTEMS; THERMODYNAMIC PROPERTIES; PARTITION-COEFFICIENTS
subject category
Chemistry, Physical; Physics, Atomic, Molecular & Chemical
authors
Vilas-Boas, SM; Teixeira, G; Rosini, S; Martins, MAR; Gaschi, PS; Coutinho, JAP; Ferreira, O; Pinho, SP
our authors
acknowledgements
This work was developed within the scope of the project CICECOA-veiro Institute of Materials, UIDB/50011/2020 & UIDP/50011/2020, and CIMO-Mountain Research Center, UIDB/00690/2020, both financed by national funds through the Portuguese Foundation for Science and Technology/MCTES. Sergio M. Vilas-Boas also thanks FCT for the Ph.D. grant (SFRH/BD/138149/2018).