ABSTRACT

A tendency to use polysubstituted pyridinium-based ionic liquids for desulfurization of fuel-oils is being very remarkable during last years. Are these ones the most suitable ionic liquids for this purpose? The possibility of using a much cheaper ionic liquid, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide, has been studied in this work. With this aim, LLE data of the {[C2mim][NTf2] + thiophene + toluene}, {[C2mim][NTf2] + thiophene + n-hexane} and {[C2mim][NTf2] + pyridine + n-hexane} ternary systems have been obtained at T = 298.15 K and atmospheric pressure. The NRTL and UNIQUAC models have been used to correlate the obtained data. Solute distribution ratios and selectivities have been calculated and a comparison with data obtained previously for other ionic liquids has been established. It was found that both cation and anion clearly affect to these thermodynamic parameters. According not just to solubility, but also in terms of selectivity and cost, [C2mim][NTf2] can be a competitive desulfurization solvent.

Compounds

#	Formula	Name
1	C4H4S	thiophene
2	C6H14	hexane
3	C8H11F6N3O4S2	1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
4	C5H5N	pyridine
5	C7H8	toluene

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

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Desulfurization of fuel-oils with [C2mim][NTf2]: A comparative study

Rodriguez-Cabo, B.[Borja], Soto, A., Arce, A.

ABSTRACT