Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Carbon dioxide solubilities in tricyanomethanide-based ionic liquids: measurements and PC-SAFT modeling

AYAD, A.[Amel], NEGADI, A.[Amina], MUTELET, F.[Fabrice]
Fluid Phase Equilib. 2018, 469, 48-55
ABSTRACT
This work reports the measurements of the solubility of carbon dioxide (CO2) in three tricyanomethanide based ionic liquids (ILs) constituted by different cations: 1-butyl-3-methylimidazolium, 1-butyl-4-methylpyridinium, 1-butyl-1-methylpyrrolidinium in order to investigate the effect of the cation on the solubility. The solubility of CO2 have been determined using high-pressure variable volume cell in a range of temperature from T = (292.13 to 367.85) K and pressure up to 121.6 bars. A high solubility of CO2 in the 1-butyl-4-methylpyridinium tricyanomethanide was observed in comparison with the other cation. It was found that the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) may be used to represent with good accuracy the experimental data of CO2 solubility in tricyanomethanide based ionic liquid.
Compounds
# Formula Name
1 C12H15N5 1-butyl-3-methylimidazolium tricyanomethane
2 C14H16N4 1-butyl-4-methylpyridinium tricyanomethanide
3 C13H20N4 1-butyl-1-methylpyrrolidinium tricyanomethanide
4 CO2 carbon dioxide
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 101
  • POMD
  • 4
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 93
  • POMD
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 76