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

On the High-Pressure Solubilities of Carbon Dioxide in Several Ionic Liquids

Mejia, I.[Isabel], Stanley, K.[Kathleen], Canales, R.[Roberto], Brennecke, J.[Joan]
J. Chem. Eng. Data 2013, 58, 9, 2642-2653
ABSTRACT
The solubility of carbon dioxide in nine ionic liquids (ILs), at 298 K, 313 K, and 333 K and pressures up to 9 MPa, is presented. The solubility of CO2 in the selected ILs increases with increasing pressure and decreases with increasing temperature, as expected. The effect of several different anions on the solubility of CO2 with a common 1-ethyl-3-methylimidazolium cation is studied in this work. The anions compared were hydrogen sulfate ([emim][HSO4]), methylsulfate ([emim][MeSO4]), methane sulfonate ([emim][MeSO3]), thiocyanate ([emim][SCN]), and diethylphosphate ([emim][DEP]). The results for 1-ethyl-3-methylimidazolium hydrogen sulfate are particularly interesting and can be explained based on the stronger attractive interactions between the IL and CO2, which is supported by quantum calculations. Other ILs investigated were ethyl(tributyl)phosphonium diethylphosphate ([P2444][DEP]), 1-hexyl-3-methylimidazolium trifluoromethane sulfonate ([hmim][OTf]), 1-(2-hydroxyethyl)-3-methylimidazolium trifluoroacetate ([OHemim][TFA]), and trihexyl tetradecylphosphonium bis(trifluoromethylsulfonyl)imide ([P66614][Tf2N]). Using the new data for the [emim]+ ILs, in concert with data from the literature, these ILs were selected primarily to study the effect on the solubility of changing the cation. Of particular note is the high solubility of CO2 in the trihexyltetradecylphosphonium based IL compared with its imidazolium equivalent. A brief discussion is presented to explain the observed solubility results.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C7H11N3S 1-ethyl-3-methylimidazolium thiocyanate
3 C6H12N2O4S 1-ethyl-3-methylimidazolium hydrogen sulfate
4 C7H14N2O4S 1-ethyl-3-methylimidazolium methylsulfate
5 C7H14N2O3S 1-ethyl-3-methylimidazolium methanesulfonate
6 C10H21N2O4P 1-ethyl-3-methylimidazolium diethyl phosphate
7 C18H42O4P2 tributylethylphosphonium diethylphosphate
8 C34H68F6NO4PS2 trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]imide
9 C8H11F3N2O3 1-(2-hydroxyethyl)-3-methyl-1H-imidazolium 2,2,2-trifluoroacetate
10 C11H19F3N2O3S 1-hexyl-3-methylimidazolium trifluoromethanesulfonate
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
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 9
  • POMD
  • 1
  • 2
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 11
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 13
  • POMD
  • 1
  • 3
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 15
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 16
  • POMD
  • 1
  • 4
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 19
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 9
  • POMD
  • 1
  • 5
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 11
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 16
  • POMD
  • 1
  • 6
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 19
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 19
  • POMD
  • 1
  • 7
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 22
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 28
  • POMD
  • 1
  • 8
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 34
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 16
  • POMD
  • 1
  • 9
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 19
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 11
  • POMD
  • 1
  • 10
  • Molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • pressure drop on dissolution
  • 13