ABSTRACT

In this paper, the liquid extraction of benzene from aliphatic compounds (heptane, octane, cyclooctane, and methylcyclohexane) using commercial ionic liquids (ILs; 1-propyl-3-methylimidazolium bis{trifluoromethylsulfonyl}imide, [PMim][NTf2], and 1-butyl-3-methylimidazolium bis{trifluoromethylsulfonyl}imide, [BMim][NTf2]) as solvents was studied. The liquid liquid equilibrium (LLE) data for five ternary systems (aliphatic compound + benzene + IL) are reported at T = 298.15 K and atmospheric pressure. The cloud point method was used to determine the solubility curves, and the tie-line compositions were obtained by density measurements. From the experimental LLE data, the selectivity and the solute distribution ratio were calculated. The degree of consistency of the tie-lines was tested using the Othmer Tobias equation, and the experimental LLE data were correlated using nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) thermodynamic models. Moreover, a systematic study about the influence of the size of the aliphatic and IL on the aromatic extraction was carried out.

Compounds

#	Formula	Name
1	C7H14	methylcyclohexane
2	C9H13F6N3O4S2	1-methyl-3-propylimidazolium bis[(trifluoromethyl)sulfonyl]imide
3	C10H15F6N3O4S2	1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
4	C6H6	benzene
5	C7H16	heptane
6	C8H18	octane
7	C8H16	cyclooctane

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	7	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4 5 3	Mole fraction - 5 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 2	Mole fraction - 4; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Density calibration data Density calibration data Density calibration data	11
POMD	4 6 3	Mole fraction - 6 ; Liquid mixture 1 Mole fraction - 6 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 2	Mole fraction - 4; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Density calibration data Density calibration data Density calibration data	9
POMD	4 7 3	Mole fraction - 7 ; Liquid mixture 1 Mole fraction - 7 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 2	Mole fraction - 4; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Density calibration data Density calibration data Density calibration data	9
POMD	4 1 3	Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 2	Mole fraction - 4; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Density calibration data Density calibration data Density calibration data	11
POMD	4 1 2	Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 2	Mole fraction - 4; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Density calibration data Density calibration data Density calibration data	11

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Extraction of Benzene from Aliphatic Compounds Using Commercial Ionic Liquids as Solvents: Study of the Liquid Liquid Equilibrium at T = 298.15 K

Dominguez, I.[Irene], Gonzalez, E. J.[Emilio J.], Gonzalez, R.[Raquel], Dominguez, A.[Angeles]

ABSTRACT