Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Simultaneous solubility of carbon dioxide and hydrogen in the ionic liquid [hmim][Tf2N]: Experimental results and correlation

Kumelan, J.[Jacek], Tuma, D.[Dirk], Maurer, G.[Gerd]
Fluid Phase Equilib. 2011, 311, 9-16
ABSTRACT
The solubility of a single gas as well as the simultaneous solubility of several gases in an ionic liquid is of great interest in many areas of chemical engineering, particularly in heterogeneous catalysis. One of the most interesting features involved in the study of the simultaneous solubility of several gases in a pure ionic liquid is the difference between experimental data and predictions for the simultaneous solubility (based on experimental data for the solubility of the single gases). The well soluble gas might act as a cosolvent or as an antisolvent for a sparsely soluble second gas. New experimental results and a correlation are presented for the simultaneous solubility of hydrogen (i.e., a sparsely soluble gas) and carbon dioxide (a well soluble gas) in the ionic liquid 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) at temperatures between 293K and 373K and pressures up to about 9.2 MPa. The experimental results reveal that carbon dioxide acts as a cosolvent for hydrogen in that particular ionic liquid. A correlation shows that the cosolvency effect can be modeled by considering interaction parameters between hydrogen and carbon dioxide in liquid [hmim][Tf2N]. The correlation can also be used to quantify that cosolvency effect: one mole of carbon dioxide in 1000 g of [hmim][Tf2N] increases the solubility of (small amounts of) hydrogen by about 20%.
Compounds
# Formula Name
1 H2 hydrogen
2 CO2 carbon dioxide
3 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
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
  • 2
  • 1
  • 3
  • Molality, mol/kg - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Molality, mol/kg - 1; Liquid
  • Liquid
  • Gas
  • Synthetic
  • 34