Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Ionic liquid structural effects on solute partitioning in biphasic ionic liquid and supercritical carbon dioxide systems

Machida, H.[Hiroshi], Kawasumi, T.[Toru], Endo, W.[Wataru], Sato, Y.[Yoshiyuki], Smith Jr., R. L.[Richard L.]
Fluid Phase Equilib. 2010, 294, 1-2, 114-120
ABSTRACT
An overview of measurements of partition coefficient measurements reported in the literature is given. New infinite dilution partition coefficients for aromatic components (benzyl alcohol, phenol, acetophenone, and chlorobenzene) between ionic liquid phase and supercritical CO2 phase are reported as determined with a chromatographic technique. Three types of solutes and six types of ionic liquids were studied. Infinite dilution partition coefficients became larger according to [bmim][Tf2N], [bmim][PF6], [bmim][BF4], [bmim][Cl]. For the case of benzyl alcohol, the weight basis partition coefficient had its highest value (0.180) in [bmim][Tf2N] at 333.2 K and 20 MPa and its lowest value (0 0.003) in [bmim][Cl] at 333.2 K and at pressures from 12 to 16 MPa. The values of the infinitely dilute partition coefficients were not sensitive to the alkyl chain length of the ionic liquids [emim][PF6], [bmim][PF6], and [hmim][PF6] and could be correlated with the Sanchez Lacombe equation of state. Trends of the infinite dilution partition coefficients for the same cation
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
3 C10H19F6N2P 1-hexyl-3-methylimidazolium hexafluorophosphate
4 C12H23F6N2P 1-octyl-3-methylimidazolium hexafluorophosphate
5 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
6 C10H19BF4N2 1-hexyl-3-methylimidazolium tetrafluoroborate
7 C12H23BF4N2 1-methyl-3-octylimidazolium tetrafluoroborate
8 C8H15ClN2 1-butyl-3-methylimidazolium chloride
9 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
10 C6H6O phenol
11 C8H8O acetophenone
12 C6H5Cl chlorobenzene
13 C7H8O benzenemethanol
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
  • 13
  • 1
  • 2
  • Mass fraction - 13 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 13; Liquid - 2
  • Gas
  • Liquid - 2
  • Chromatography
  • 3
  • POMD
  • 13
  • 1
  • 3
  • Mass fraction - 13 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 13; Liquid - 3
  • Gas
  • Liquid - 3
  • Chromatography
  • 3
  • POMD
  • 13
  • 1
  • 4
  • Mass fraction - 13 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 13; Liquid - 4
  • Gas
  • Liquid - 4
  • Chromatography
  • 3
  • POMD
  • 13
  • 1
  • 5
  • Mass fraction - 13 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 13; Liquid - 5
  • Gas
  • Liquid - 5
  • Chromatography
  • 3
  • POMD
  • 13
  • 1
  • 6
  • Mass fraction - 13 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 13; Liquid - 6
  • Gas
  • Liquid - 6
  • Chromatography
  • 3
  • POMD
  • 13
  • 1
  • 7
  • Mass fraction - 13 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 13; Liquid - 7
  • Gas
  • Liquid - 7
  • Chromatography
  • 3
  • POMD
  • 13
  • 1
  • 8
  • Mass fraction - 13 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 13; Liquid - 8
  • Gas
  • Liquid - 8
  • Chromatography
  • 2
  • POMD
  • 13
  • 1
  • 9
  • Mass fraction - 13 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 13; Liquid - 9
  • Gas
  • Liquid - 9
  • Chromatography
  • 3
  • POMD
  • 11
  • 1
  • 8
  • Mass fraction - 11 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 11; Liquid - 8
  • Gas
  • Liquid - 8
  • Chromatography
  • 1
  • POMD
  • 12
  • 1
  • 8
  • Mass fraction - 12 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 12; Liquid - 8
  • Gas
  • Liquid - 8
  • Chromatography
  • 1
  • POMD
  • 10
  • 1
  • 5
  • Mass fraction - 10 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 10; Liquid - 5
  • Gas
  • Liquid - 5
  • Chromatography
  • 1
  • POMD
  • 11
  • 1
  • 5
  • Mass fraction - 11 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 11; Liquid - 5
  • Gas
  • Liquid - 5
  • Chromatography
  • 1
  • POMD
  • 12
  • 1
  • 5
  • Mass fraction - 12 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 12; Liquid - 5
  • Gas
  • Liquid - 5
  • Chromatography
  • 1
  • POMD
  • 10
  • 1
  • 2
  • Mass fraction - 10 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 10; Liquid - 2
  • Gas
  • Liquid - 2
  • Chromatography
  • 1
  • POMD
  • 11
  • 1
  • 2
  • Mass fraction - 11 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 11; Liquid - 2
  • Gas
  • Liquid - 2
  • Chromatography
  • 1
  • POMD
  • 12
  • 1
  • 2
  • Mass fraction - 12 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Mass fraction - 12; Liquid - 2
  • Gas
  • Liquid - 2
  • Chromatography
  • 1