Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

High pressure phase behaviour of carbon dioxide and two ionic liquids based on a benzyl functionalized cation

Kim, Minsu, Lee, Jinmyung, Lee, Saem, Park, YoonKook
J. Chem. Thermodyn. 2018, 121, 91-96
ABSTRACT
The high pressure phase behaviour of a CO2 and 1-benzyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [BzMeIM][NTf2], binary system was experimentally measured at high pressure up to about 13.5 MPa and at a temperatures range of 293.2 -323.2 K. The solubilities were determined by measuring the bubble point pressure of the binary mixture comprising CO2 and an ionic liquid using a phase equilibrium apparatus including a high pressure variable-view cell. The effect of a benzyl functional group in different cations, imidazolium and pyridinium, on the high pressure phase behaviour of the CO2 and 1-benzylpyridinium bis(trifluoromethylsulfonyl)imide, [BzPY][NTf2], binary system was also investigated within similar temperature and CO2 mole fractions ranges. The experimental data correlated well with the Peng-Robinson equation of state. In general, higher CO2 solubilities were obtained in [BzPY][NTf2] than those in [BzMeIM][NTf2] at similar temperature and pressure. This may be attributed to the difference in aromaticity in pyridinium and imidazolium cations.
Compounds
# Formula Name
1 C13H13F6N3O4S2 1-benzyl-3-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide
2 C14H12F6N2O4S2 N-benzylpyridinium bis(trifluoromethylsulfonyl)amide
3 CO2 carbon dioxide
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
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 42
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Closed cell (Static) method
  • 2
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 49
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Closed cell (Static) method
  • 2