ABSTRACT

Ionic liquids (ILs) are promising in the capture and separation of CO2. In this work, IL 1-n-butyl-3- methylimidazolium heptafluorobutyrate, [C4mim][CF3CF2CF2COO], has been synthesized and characterized by 1H, 13C and 19F NMR spectra. Solubilities of CO2, H2, N2 and O2 in this IL have been determined at the temperature range from (303.15 to 333.15) K and the pressure up to 8.9 MPa. From these data, the Henry s constant, the standard state solution Gibbs energy, standard state solution enthalpy and standard state solution entropy of these gases in [C4mim][CF3CF2CF2COO] were derived and analyzed from molecular interactions. It was shown that the solubility of CO2 is obviously higher than that in [C4mim] [CF3COO] and [C4mim][CF3SO3] reported in literature, which makes this IL an attractive solvent for gas separation processes. Furthermore, these solubility data were well correlated by Pitzer model.

Compounds

#	Formula	Name
1	C8H15BF4N2	1-butyl-3-methylimidazolium tetrafluoroborate
2	C10H15F6N3O4S2	1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
3	CO2	carbon dioxide
4	H2	hydrogen
5	N2	nitrogen
6	O2	oxygen
7	C12H15F7N2O2	1-butyl-3-methylimidazolium heptafluorobutanate

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	3 1	Molality, mol/kg - 3 ; Liquid	Pressure, kPa; Liquid	Temperature, K; Liquid	Liquid Gas	gravimetric method	6
POMD	3 2	Molality, mol/kg - 3 ; Liquid	Pressure, kPa; Liquid	Temperature, K; Liquid	Liquid Gas	gravimetric method	7
POMD	3 7	Molality, mol/kg - 3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Gas	gravimetric method	28
POMD	4 7	Molality, mol/kg - 4 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Gas	gravimetric method	24
POMD	5 7	Molality, mol/kg - 5 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Gas	gravimetric method	20
POMD	6 7	Molality, mol/kg - 6 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Gas	gravimetric method	24

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubilities of CO2, H2, N2 and O2 in ionic liquid 1-n-butyl-3-methylimidazolium heptafluorobutyrate

Zhou, L.[Lingyun], Fan, J.[Jing], Shang, X.[Xiaomin], Wang, J.[Jianji]

ABSTRACT