Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Study of the solubility of CO2, H2S and their mixture in the ionic liquid 1-octyl-3-methylimidazolium hexafluorophosphate: Experimental and modelling

Safavi, M.[Mohammadali], Ghotbi, C.[Cyrus], Taghikhani, V.[Vahid], Jalili, A. H.[Amir Hossein], Mehdizadeh, A.[Ali]
J. Chem. Thermodyn. 2013, 65, 220-232
ABSTRACT
New experimental results are presented for the solubility of carbon dioxide, hydrogen sulfide in the ionic liquid 1-octyl-3-methylimidazolium hexafluorophosphate ([C8mim][PF6]) at temperatures range from (303.15 to 353.15) K and pressures up to about 2 MPa. The solubility of the mixture of CO2/H2S in [C8mim][PF6] under various feed compositions were also measured at temperatures of (303.15, 323.15 and 343.15) K and the pressure up to 1 MPa. The solubility of carbon dioxide and hydrogen sulfide increased with increasing pressure and decreased with increasing temperature and the solubility of H2S is about three times that of CO2 in the particular ionic liquid studied. The measured data were correlated using extended Henry s law included Pitzer s virial expansion for the excess Gibbs energy, and the generic Redlich Kwong cubic equation of state proposed for gas/ionic liquid systems. The correlations from the two models show quite good consistency with the experimental data for CO2/IL and H2S/IL binary mixtures within experimental uncertainties. For CO2/H2S/IL ternary mixtures, the RK model shows better correlation with the experimental values. We also studied the effect of cation alkyl chain length on the CO2 and H2S solubility by comparison of the experimental data of this study with those of previous reports. As the cation alkyl chain length became longer, the solubility of CO2 and H2S increased in the ionic liquid. Additionally, the influence of the anion on the solubility is studied by comparing the solubility of CO2 and H2S in [C8mim][PF6] with those in [C8mim][Tf2N]. As a result, CO2 and H2S have higher solubility in the IL with [Tf2N] as the anion.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 H2S hydrogen sulfide
3 C12H23F6N2P 1-octyl-3-methylimidazolium hexafluorophosphate
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
  • 3
  • Mole fraction - 3 ; Liquid
  • Mole fraction - 3 ; Gas
  • Mole fraction - 2 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • volumetric method + mass balance
  • volumetric method + mass balance
  • volumetric method + mass balance
  • 27
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method + mass balance
  • 42
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method + mass balance
  • 48