Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and prediction of phase behaviour for 1-alkyl-3-methylimidazolium tetrafluoroborate and carbon dioxide: Effect of alkyl chain length in imidazolium cation

Hwang, S.[SeYeon], Park, Y.[YoonKook], Park, K.[Kyungmoon]
J. Chem. Thermodyn. 2011, 43, 3, 339-343
ABSTRACT
The high-pressure phase behaviour of the binary system {1-ethyl-methylimidazolium tetrafluoroborate ([EMIM][BF4]) + CO2} was determined over the temperature range of (293.2 to 323.2) K at intervals of 5.0 K with the CO2 mole fraction ranging from 0.153 to 0.578 by using a high-pressure variable-volume view cell. Further, the (vapour + liquid) equilibrium of the binary system {1-hexyl-methylimidazolium tetrafluoroborate ([HMIM][BF4]) + CO2} was measured over the temperature range of (303.2 to 328.2) K with the CO2 mole fraction ranging from 0.314 to 0.593. The Peng Robinson equation of state along with two-parameter mixing rules has been employed to correlate the experimental results. In case of the ([EMIM][BF4] + CO2) system, the (vapour + liquid + liquid) equilibrium and (vapour + liquid) equilibrium have been observed at a high CO2 mole fraction. The experimental values obtained in this study were compared with the available phase behaviour data of the binary system (1-alkyl-3-methylimidazolium tetrafluoroborate + CO2) in order to investigate the effect of the alkyl chain length in the imidazolium cation on the phase behaviour of such systems.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C6H11BF4N2 1-ethyl-3-methylimidazolium tetrafluoroborate
3 C10H19BF4N2 1-hexyl-3-methylimidazolium tetrafluoroborate
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 40
  • POMD
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Closed cell (Static) method
  • 9
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 28