ABSTRACT

Experimental data for liquid-liquid equilibria (LLE) of ternary systems of {aromatic (ethyl benzene or p-xylene) + alkane (hexane or heptane or octane) + ionic liquid} at T = 298.15 K and atmospheric pressure were studied. The ionic liquid 1-methyl 3-octylimidazolium thiocyanate [Omim][SCN] was used. The tie lines composition was determined by the gas chromatography and mass balance. The selectivity values were calculated from experimental data. The selectivity values are more than unity which indicate the suitability of IL as a new solvent in extraction of aromatics from alkanes. The reliability of the LLE data was tested by the Othmer-Tobias and Hand equations. The NRTL thermodynamic model was applied for correlating the experimental data. The modelling results show the NRTL model can correlate the experimental data with good accuracy.

Compounds

#	Formula	Name
1	C13H23N3S	1-methyl-3-octyl-1H-imidazolium thiocyanate
2	C6H14	hexane
3	C7H16	heptane
4	C8H18	octane
5	C8H10	ethylbenzene
6	C8H10	1,4-dimethylbenzene

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	12
POMD	5 2 1	Mole fraction - 2 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 1	Mole fraction - 5; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	10
POMD	5 3 1	Mole fraction - 3 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 1	Mole fraction - 5; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	9
POMD	5 4 1	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 1	Mole fraction - 5; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	10
POMD	6 2 1	Mole fraction - 2 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 6 ; Liquid mixture 1	Mole fraction - 6; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	9
POMD	6 3 1	Mole fraction - 3 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 6 ; Liquid mixture 1	Mole fraction - 6; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	8
POMD	6 4 1	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 6 ; Liquid mixture 1	Mole fraction - 6; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	10

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Liquid-liquid extraction of aromatics from their mixtures with alkanes using 1-methyl 3-octylimidazolium thiocyanate ionic liquid

Heidari, M. R.[Mohammad Reza], Mokhtarani, B.[Babak], Seghatoleslami, N.[Naser], Sharifi, A.[Ali], Mirzaei, M.[Mojtaba]

ABSTRACT