Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility measurements of hydrogen in 1-butyl-3-methylimidazolium tetrafluoroborate and the effect of carbon dioxide and a selected catalyst on the hydrogen solubility in the ionic liquid

Toussaint, V. A., Kuhne, E., Shariati, A., Peters, C. J.
J. Chem. Thermodyn. 2013, 59, 239-242
ABSTRACT
The high pressure phase behavior of a binary mixture containing hydrogen (H2) and 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4]) is studied by measuring bubble-point pressures at different temperatures for three compositions with hydrogen mole fractions of 5, 7.5 and 10 mol%. Since this work is part of a study to design a hydrogenation process, using [bmim][BF4] as the reaction medium, the effects of adding carbon dioxide (CO2) or the hydrogenation catalyst ( )-1,2-bis((2R,5R)-2,5-dimethylphospholano) benzene (cyclooctadiene)rhodium(I) tetrafluoroborate (Rh-MeDuPHOS) on H2 solubility in [bmim][BF4] was measured as well. All measurements were conducted in an autoclave set-up, allowing pressures up to 60 MPa and temperatures ranging from 313.15 up to 368.15 K. Results indicated that the presence of catalyst increased the H2 solubility in [bmim][BF4] compared to those of binary mixtures of H2 + [bmim][BF4] throughout the whole temperature range studied. However, the addition of CO2 to the binary system of H2 + [bmim][BF4] increases the H2 solubility at lower temperatures (less than330 K), and decreases it at higher temperatures (greater than340 K).
Compounds
# Formula Name
1 H2 hydrogen
2 CO2 carbon dioxide
3 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
4 C26H40BF4P2Rh rhodium(1+), [(1,2,5,6-.nu.)-1,5-cyclooctadiene][(2R,2'R,5R,5'R)-1,1'-(1,2-phenylene)bis[2,5-dimethylphospholane-kP]]-, tetrafluoroborate(1-) (1:1)
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 ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Gas
  • Liquid
  • ISOPVT
  • 31
  • POMD
  • 2
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • ISOPVT
  • 36
  • POMD
  • 1
  • 3
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 4; Liquid
  • Gas
  • Liquid
  • ISOPVT
  • 12