ABSTRACT

In this work the imidazolium ionic liquids 1-hexyl-3-methylimidazolium trifluoromethanesulfonate, [HMim][TfO], 1-hexyl-3-methylimidazolium dicyanamide, [HMim][N(CN)2], 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [HMim][NTf2], and 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide, [PMim][NTf2], were studied as solvents for the separation of ethanol from its azeotropic mixture with hexane. The liquid-liquid equilibrium (LLE) of the ternary systems {hexane + ethanol + [HMim][TfO], or [HMim][N(CN)2], or [HMim][NTf2], or [PMim][NTf2]} was carried out at 298.15 K and atmospheric pressure. From the experimental LLE data, the solute distribution ratio and selectivity were calculated and the solvent capacity of the studied ionic liquids was compared with another ionic liquid from literature. Finally, the experimental LLE data were correlated using the NRTL and UNIQUAC thermodynamic models.

Compounds

#	Formula	Name
1	C6H14	hexane
2	C2H6O	ethanol
3	C11H19F3N2O3S	1-hexyl-3-methylimidazolium trifluoromethanesulfonate
4	C12H19N5	1-hexyl-3-methylimidazolium dicyanamide
5	C12H19F6N3O4S2	1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
6	C9H13F6N3O4S2	1-methyl-3-propylimidazolium 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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	1	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	2
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	2
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	2
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	2
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	2
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	2
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	2
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	2
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	2
POMD	6	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	2
POMD	2 1 3	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	60
POMD	2 1 3	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	60
POMD	2 1 3	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Density calibration data Density calibration data Density calibration data	9
POMD	2 1 4	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	51
POMD	2 1 4	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	51
POMD	2 1 4	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Density calibration data Density calibration data Density calibration data	10
POMD	2 1 5	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	67
POMD	2 1 5	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	67
POMD	2 1 5	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Density calibration data Density calibration data Density calibration data	9
POMD	2 1 6	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	53
POMD	2 1 6	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	53
POMD	2 1 6	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Density calibration data Density calibration data Density calibration data	9
POMD	2 3	Mass density, kg/m3 ; Liquid	Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	11
POMD	2 3	Refractive index (Na D-line) ; Liquid	Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	11
POMD	1 3	Mole fraction - 1 ; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1		Liquid mixture 2 Liquid mixture 1	Density calibration data	1
POMD	2 4	Mass density, kg/m3 ; Liquid	Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	10
POMD	2 4	Refractive index (Na D-line) ; Liquid	Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	10
POMD	1 4	Mole fraction - 1 ; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1		Liquid mixture 2 Liquid mixture 1	Density calibration data	1
POMD	2 5	Mass density, kg/m3 ; Liquid	Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	2 5	Refractive index (Na D-line) ; Liquid	Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	1 5	Mole fraction - 1 ; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1		Liquid mixture 2 Liquid mixture 1	Density calibration data	1
POMD	2 6	Mass density, kg/m3 ; Liquid	Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Vibrating tube method	10
POMD	2 6	Refractive index (Na D-line) ; Liquid	Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	10
POMD	1 6	Mole fraction - 1 ; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1		Liquid mixture 2 Liquid mixture 1	Density calibration data	1

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Ionic liquids as solvents to separate the azeotropic mixture hexane/ethanol

Corderi, S.[Sandra], Gonzalez, B., Calvar, N., Gomez, E.

ABSTRACT