Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solubility of CO in the Mixture of Ionic Liquid and ZIF: An Experimental and Modeling Study

Lei, Z.[Zhigang], Shen, P.[Peng], Dai, C.[Chengna]
J. Chem. Eng. Data 2016, 61, 2, 846-855
ABSTRACT
The mixture of ionic liquid (IL) and zeolitic imidazolate framework (ZIF) was proposed for CO capture by adsorptive absorption. The IL ([BMIM][BF4], 1-butyl-3-methylimidazolium tetrafluoroborate) and ZIF-7 or ZIF-8 served as absorption and adsorption functions, respectively. The solubility of CO in single [BMIM][BF4] and in the [BMIM][BF4] + ZIF-8/ZIF-7 mixtures at different compositions were measured at temperatures (298.2, 288.2, 273.2, 258.2, and 243.2 K) and pressures up to 3.50 MPa. The results show that the addition of ZIF into IL can obviously increase CO solubility, and the enhancement effect of ZIF-8 is stronger than that of ZIF-7. Moreover, the UNIFAC model and GCMC (grand canonical Monte Carlo) simulation were used to predict the solubility of CO in [BMIM][BF4] and in ZIFs, respectively. Furthermore, the lever rule combining the UNIFAC model and GCMC simulation together was used to predict the CO solubility in the IL and ZIF mixtures. The predicted results agree well with experimental data, indicating the applicability of predictive model established in this work for IL-ZIF-CO systems.
Compounds
# Formula Name
1 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
2 CO carbon monoxide
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 30