ABSTRACT

In this work, the ionic liquids 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [EMim][NTf2], 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [BMim][NTf2], 1-butyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide, [BMpy][NTf2], 1-butyl-3-methylpyridinium trifluoromethanesulfonate, [BMpy][TfO], have been investigated for their use as solvents in extraction processes for the ethanol removal from its azeotropic mixture with hexane. Therefore, the experimental determination of the liquid + liquid equilibrium for the ternary systems {hexane (1) + ethanol (2) + [EMim][NTf2] (3)}, {hexane (1) + ethanol (2) + [BMim][NTf2] (3)}, {hexane (1) + ethanol (2) + [BMpy][NTf2] (3)} and {hexane (1) + ethanol (2) + [BMpy][TfO] (3)} was carried out at T = 298.15 K and atmospheric pressure. Classical parameters such as selectivity and solute distribution ratio, derived from the tie-line data, were calculated and afterwards, the structural influence of the ionic liquids on the extraction process was analyzed. Finally, the experimental LLE data were correlated by means of the NRTL and UNIQUAC models.

Compounds

#	Formula	Name
1	C8H11F6N3O4S2	1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
2	C10H15F6N3O4S2	1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
3	C12H16F6N2O4S2	1-butyl-3-methylpyridinium 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
4	C11H16F3NO3S	1-butyl-3-methylpyridinium trifluoromethanesulfonate
5	C6H14	hexane
6	C2H6O	ethanol

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	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	6	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	6 5 1	Mole fraction - 5 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 6 ; Liquid mixture 2	Mole fraction - 6; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Phase equilibration Phase equilibration Phase equilibration	8
POMD	6 5 1	Refractive index (Na D-line) ; Liquid	Mass fraction - 5; Liquid Mass fraction - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	53
POMD	6 5 1	Mass density, kg/m3 ; Liquid	Mass fraction - 5; Liquid Mass fraction - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	53
POMD	6 5 2	Mole fraction - 5 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 6 ; Liquid mixture 2	Mole fraction - 6; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Phase equilibration Phase equilibration Phase equilibration	8
POMD	6 5 2	Refractive index (Na D-line) ; Liquid	Mass fraction - 5; Liquid Mass fraction - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	50
POMD	6 5 2	Mass density, kg/m3 ; Liquid	Mass fraction - 5; Liquid Mass fraction - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	50
POMD	6 5 3	Mole fraction - 6 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 6 ; Liquid mixture 2	Mole fraction - 5; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Phase equilibration Phase equilibration Phase equilibration	8
POMD	6 5 3	Refractive index (Na D-line) ; Liquid	Mass fraction - 5; Liquid Mass fraction - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	44
POMD	6 5 3	Mass density, kg/m3 ; Liquid	Mass fraction - 5; Liquid Mass fraction - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	44
POMD	6 5 4	Mole fraction - 6 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 6 ; Liquid mixture 2	Mole fraction - 5; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Phase equilibration Phase equilibration Phase equilibration	8
POMD	6 5 4	Refractive index (Na D-line) ; Liquid	Mass fraction - 5; Liquid Mass fraction - 6; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	62
POMD	6 5 4	Mass density, kg/m3 ; Liquid	Mass fraction - 5; Liquid Mass fraction - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	62

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Ethanol extraction from its azeotropic mixture with hexane employing different ionic liquids as solvents

Corderi, S.[Sandra], Gonzalez, B.[Begona]

ABSTRACT