ABSTRACT

Activity coefficients at infinite dilution ( ) offer a valuable tool for solvent selection in extraction processes. In this study, for solutes like alkanes, aromatics and naphthenes in the solvents i.e. ionic liquids N-butyl-4-methylpyridinium tetrafluoroborate [BMPy][BF4], 1-butyl- 1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, [BMPyr][NTf2] and 1-butyl-3- methylimidazolium tetrafluoroborate [BMIM][BF4], were estimated using gas-liquid chromatography (GLC) at temperatures 313.1 K, 333.1 K and 353.1 K. Partial molar excess enthalpies at infinite dilution ( centsH1 E, ) were evaluated from values. The selectivity for the toluene/ n-heptane system was also calculated from the experimentally observed and compared to the literature values for well - established industrial solvents sulfolane and NMP.

Compounds

#	Formula	Name
1	C6H14	hexane
2	C7H16	heptane
3	C8H18	octane
4	C9H20	nonane
5	C10H22	decane
6	C6H12	methylcyclopentane
7	C7H14	methylcyclohexane
8	C7H8	toluene
9	C8H10	1,2-dimethylbenzene
10	C8H15BF4N2	1-butyl-3-methylimidazolium tetrafluoroborate
11	C11H20F6N2O4S2	1-butyl-1-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide
12	C10H16BF4N	1-butyl-4-methylpyridinium tetrafluoroborate

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 12	Activity coefficient - 1 ; Liquid	Temperature, K; Liquid	Mole fraction - 1; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	2 12	Activity coefficient - 2 ; Liquid	Temperature, K; Liquid	Mole fraction - 2; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	3 12	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Mole fraction - 3; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	4 12	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Mole fraction - 4; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	5 12	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Mole fraction - 5; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	6 12	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	7 12	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Mole fraction - 7; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	8 12	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Mole fraction - 8; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	9 12	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Mole fraction - 9; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	1 11	Activity coefficient - 1 ; Liquid	Temperature, K; Liquid	Mole fraction - 1; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	2 11	Activity coefficient - 2 ; Liquid	Temperature, K; Liquid	Mole fraction - 2; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	3 11	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Mole fraction - 3; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	4 11	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Mole fraction - 4; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	5 11	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Mole fraction - 5; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	6 11	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	7 11	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Mole fraction - 7; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	8 11	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Mole fraction - 8; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	9 11	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Mole fraction - 9; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	1 10	Activity coefficient - 1 ; Liquid	Temperature, K; Liquid	Mole fraction - 1; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	2 10	Activity coefficient - 2 ; Liquid	Temperature, K; Liquid	Mole fraction - 2; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	3 10	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Mole fraction - 3; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	5 10	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Mole fraction - 5; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	6 10	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	7 10	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Mole fraction - 7; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	8 10	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Mole fraction - 8; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3
POMD	9 10	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Mole fraction - 9; Liquid Pressure, kPa; Liquid	Liquid	Chromatography	3

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

Measuring Activity Coefficient at Infinite Dilution of Hydrocarbons in Ionic Liquids and Evaluation of Other Thermodynamic Properties using Gas Chromatography

Sudhir, N.[Nisha], Yadav, P.[Pooja], Sah, R.[Ruchika], Nautiyal, B.[Bhagat], Ghosh, P.[Prasenjit], Nanoti, S. M.[Shrikant Madhusudan], Singh, R.[Rakesh]

ABSTRACT