ABSTRACT

In this work we studied the applicability of two ionic liquids (ILs) for the separation of thiophene from octane, or hexadecane, as a model of the diesel stream. Experimental liquid-liquid phase equilibrium (LLE) data were obtained for four ternary systems {IL + thiophene + octane, or hexadecane} at T = 308.15 K and pressure p = 101 kPa. The ILs 1,3-dihydroxyimidazolium bis{(trifluoromethyl)sulfonyl}imide, [OHOHIM][NTf2] and 1-butyl-3-methylimidazolium trifluoromethanesulfonate, ([BMIM][CF3SO3]), [BMIM][OTf] were used to assess the desulfurization process. [BMIM][OTf] showed better selectivity than [OHOHIM][NTf2] in the extraction of thiophene from both, octane and hexadecane. The distribution ratio in all systems is acceptable in comparison with currently published data for different ILs. Chromatography analysis showed that the IL was not present in the octane, or hexadecane layer. This simplifies the process separating the solvent from the hydrocarbon layer. The data obtained have been correlated with the non-random two liquid (NRTL) model.

Compounds

#	Formula	Name
1	C5H5F6N3O6S2	1,3-dihydroxyimidazolium bis(trifluoromethylsulfonyl)imide
2	C9H15F3N2O3S	1-butyl-3-methylimidazolium trifluoromethanesulfonate
3	C8H18	octane
4	C16H34	hexadecane
5	C4H4S	thiophene

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

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Ternary liquid-liquid phase equilibria of {ionic liquid + thiophene + (octane/hexadecane)}

Durski, Marcin, Naidoo, Paramespri, Ramjugernath, Deresh, Domanska, Urszula

ABSTRACT