ABSTRACT

Liquid-liquid equilibrium (LLE) data for binary mixtures benzene (1) + ionic liquid (2)} were measuredat atmospheric pressure from 293.15 K to 333.15 K. The ionic liquids (ILs) studied were 1-ethyl- and1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, ([EMim][NTf2] and [HMim][NTf2]).Furthermore, the group contribution equation of state (GC-EoS) was applied to model the phase behavior of mixtures of hydrocarbons with different members of the homologous family 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [x-Mim][NTf2]. New pure group parameters forthe ionic liquid functional group (MimNTf2) and interaction parameters between this group and theparaffin (CH3, CH2) and aromatic (ACH) groups are reported. The GC-EOS extended with the new param-eters was applied to predict LLE and VLE of binary mixtures {benzene + x-MimNTf2} and LLE of ternary systems {n-hexane + benzene + [x-Mim][NTf2]}. The results show that the GC-EOS is capable of predicting the phase behavior of this kind of mixtures with reasonable accuracy.

Compounds

#	Formula	Name
1	C6H6	benzene
2	C8H11F6N3O4S2	1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
3	C12H19F6N3O4S2	1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1 2	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Density calibration data	9
POMD	1 3	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Density calibration data	9

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibria of binary systems {benzene + [x-Mim][NTf2]ionic liquid}: Experimental data and thermodynamic modeling usinga group contribution equation of state

Gonzalez, E. J.[Emilio J.], Bottini, S. B.[Susana B.], Pereda, S.[Selva], Macedo, E. A.[Eugenia. A.]

ABSTRACT