ABSTRACT

The aim of this work is to investigate phase equilibrium of binary systems encountered in the extractive desulfurization of gasoline and diesel using ionic liquids. This work is focused on two ionic liquids: 1,3-dimethylimidazolium methylphosponate [DMIM][Ph] and 1-ethyl-3-methylimidazolium thiocynate [EMIM][SCN]. Vapor liquid equilibrium (VLE) measurements on binary systems of ionic liquids with various solutes including thiophene, pyridine, toluene, and water at pressures close to the atmospheric pressure were performed and correlated by the PC-SAFT equation of state. The molecular parameters of pure ILs were determined from experimental density data, whereas binary interaction parameters kij were optimized on experimental VLE data. The eight binary mixtures: {thiophene+ILs}, {pyridine+ILs}, {toluene+ILs}, and {water+ILs} studied in this paper were accurately described by the PC-SAFT equation of state.

Compounds

#	Formula	Name
1	C6H13N2O3P	1,3-dimethylimidazolium methyl phosphonate
2	C7H11N3S	1-ethyl-3-methylimidazolium thiocyanate
3	C5H5N	pyridine
4	C4H4S	thiophene
5	C7H8	toluene
6	H2O	water

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	16
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	7
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	7
POMD	5	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	6
POMD	6	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	4
POMD	6 2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 6; Liquid		Liquid Gas	Closed cell (Static) method	40
POMD	5 2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 5; Liquid		Liquid Gas	Closed cell (Static) method	13
POMD	5 2	Vapor or sublimation pressure, kPa ; Liquid mixture 1	Temperature, K; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Closed cell (Static) method	3
POMD	4 2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid		Liquid Gas	Closed cell (Static) method	27
POMD	4 2	Vapor or sublimation pressure, kPa ; Liquid mixture 1	Temperature, K; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Closed cell (Static) method	3
POMD	3 2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid		Liquid Gas	Closed cell (Static) method	30
POMD	6 1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 6; Liquid		Liquid Gas	Closed cell (Static) method	36
POMD	5 1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 5; Liquid		Liquid Gas	Closed cell (Static) method	21
POMD	5 1	Vapor or sublimation pressure, kPa ; Liquid mixture 1	Temperature, K; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Closed cell (Static) method	4
POMD	4 1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid		Liquid Gas	Closed cell (Static) method	21
POMD	4 1	Vapor or sublimation pressure, kPa ; Liquid mixture 1	Temperature, K; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2 Gas	Closed cell (Static) method	4
POMD	3 1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid		Liquid Gas	Closed cell (Static) method	40

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

Experimental Measurement and Modeling of Phase Diagrams of Binary Systems Encountered in the Gasoline Desulfurization Process Using Ionic Liquids

Chen, Y.[Yushu], Mutelet, F.[Fabrice], Jaubert, J.-N.[Jean-Noel]

ABSTRACT