Experimental data, correlation and prediction of the extraction of benzene from cyclic hydrocarbons using [Epy][ESO4] ionic liquid

• EpyESO4 was studied as solvent to extract benzene from cyclic hydrocarbons.
• Liquid–liquid equilibrium data were measured at 298.15 K for 4 ternary systems.
• Selectivity and solute distribution ratio were calculated and compared.
• Experimental data were satisfactorily correlated using NRTL model.
• COSMO-RS model was used as a predictive tool to describe the experimental LLE.

In this paper, the evaluation of the ionic liquid 1-ethylpyridinium ethylsulfate, [Epy][ESO4], on the extraction of benzene from cyclic hydrocarbons was carried out. With the aim of studying the influence of the cyclic hydrocarbon structure on the liquid extraction, the liquid–liquid equilibria (LLE) data of the systems: {cyclohexane, or cyclooctane, or methylcyclohexane or cyclohexene (1) + benzene (2) + [Epy][ESO4] (3)} have been experimentally determined at T = 298.15 K and atmospheric pressure. Selectivity and solute distribution ratio, derived from the tie-lines, were used to determine the ability of this ionic liquid as solvent for the separation of benzene from its mixtures with cyclic hydrocarbons. The degree of consistency of the tie-lines was tested using the Othmer-Tobias equation, and the experimental LLE data were correlated using the Non-Random Two-Liquid (NRTL) model. Furthermore, the literature comparison for the system {cyclohexane (1) + benzene (2) + ionic liquid or solvent (3)} has been performed.The quantum chemical based COnductor like Screening MOdel for Real Solvent (COSMO-RS) model was used as a predictive tool to describe the experimental LLE data for the ternary systems {cyclohexane, or cyclooctane, or methylcyclohexane, or cyclohexene (1) + benzene (2) + [Epy][ESO4] (3)} and the obtained results have been compared with the experimental data.