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

Thermal Stability and Vapor Liquid Equilibrium for Imidazolium Ionic Liquids as Alternative Reaction Media

Liu, P.[Peng], Wang, M.[Ming], Cheng, Z.-M.[Zhen-Min]
J. Chem. Eng. Data 2015, 60, 3, 836-844
ABSTRACT
Ionic liquids (ILs) are emerging as a new family of environmentally benign solvents alternative to the conventional solvents for most catalytic reactions due to their nonvolatility. In such applications, thermal stability and solubility are vital for the selection of a suitable IL solvent for a particular reaction. In this work, the thermal stability of three commonly used imidazolium ILs (bmim[BF4], bmim[PF6], bmim[Tf2N]) was studied with both nonisothermal and isothermal thermogravimetric analysis (TGA). The decomposition kinetics indicated the relative anion stability for imidazolium based ILs was Tf2N greater than PF6 greater than BF4. In addition, the solubility data of three organic compounds (methanol, ethyl acetate, and benzene) in ILs were specified by the binary vapor liquid equilibrium (VLE) at elevated temperatures. The results indicated bmim[Tf2N] was the best solvent for the organics investigated. For the same IL, the solute with a higher polarity tends to possess a lower activity coefficient. The activity coefficients of the organic compounds agreed well with the nonrandom two-liquid (NRTL) model.
Compounds
# Formula Name
1 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
2 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
3 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
4 CH4O methanol
5 C4H8O2 ethyl acetate
6 C6H6 benzene
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
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 4; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 32
  • POMD
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 4; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 40
  • POMD
  • 5
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 5; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 32
  • POMD
  • 5
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 5; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 36
  • POMD
  • 6
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 28
  • POMD
  • 6
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 28