ABSTRACT

Room temperature ionic liquids are receiving growing attentions as green solvents for reactions and separations. In particular, ionic liquids + carbon dioxide systems are of importance in the recovery of solutes in supercritical fluid extraction. Solubilities of carbon dioxide in ionic liquids, [bmim][PF6], [C6mim][PF6], [emim][BF4], [C6mim][BF4], [emim][Tf2N] and [C6mim][Tf2N], were experimentally studied at 298.15K and up to 1MPa in the present study. Present and literature data were fitted to determine group segment numbers and interaction energy parameters between groups for the group contribution non-random lattice fluid equation of state. The agreements between data and calculated solubilities and densities were found generally good for ionic liquids with 1-alkyl-3-methylimidazolium cations and [PF6], [BF4] and [Tf2N] anions.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	C8H15F6N2P	1-butyl-3-methylimidazolium hexafluorophosphate
3	C10H19F6N2P	1-hexyl-3-methylimidazolium hexafluorophosphate
4	C6H11BF4N2	1-ethyl-3-methylimidazolium tetrafluoroborate
5	C10H19BF4N2	1-hexyl-3-methylimidazolium tetrafluoroborate
6	C8H11F6N3O4S2	1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
7	C12H19F6N3O4S2	1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide

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	Mole fraction - 1 ; Liquid	Pressure, kPa; Liquid	Temperature, K; Liquid	Liquid Gas	Phase equilibration	4
POMD	1 3	Mole fraction - 1 ; Liquid	Pressure, kPa; Liquid	Temperature, K; Liquid	Liquid Gas	Phase equilibration	14
POMD	1 4	Mole fraction - 1 ; Liquid	Pressure, kPa; Liquid	Temperature, K; Liquid	Liquid Gas	Phase equilibration	9
POMD	1 5	Mole fraction - 1 ; Liquid	Pressure, kPa; Liquid	Temperature, K; Liquid	Liquid Gas	Phase equilibration	8
POMD	1 6	Mole fraction - 1 ; Liquid	Pressure, kPa; Liquid	Temperature, K; Liquid	Liquid Gas	Phase equilibration	8
POMD	1 7	Mole fraction - 1 ; Liquid	Pressure, kPa; Liquid	Temperature, K; Liquid	Liquid Gas	Phase equilibration	9

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility measurement and prediction of carbon dioxide in ionic liquids

Kim, Y. S., Choi, W. Y., Jang, J. H., Yoo, K.-P., Lee, C. S.

ABSTRACT