Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement and prediction of vapor-liquid equilibria of ternary systems containing ionic liquids

Doker, M.[Michael], Gmehling, J.
Fluid Phase Equilib. 2005, 227, 2, 255-266
ABSTRACT
For the first time vapor-liquid equilibrium (VLE) data for ternary systems containing ionic liquids are reported. The data were measured by means of a computer-operated static VLE apparatus at 353.15K with the ionic liquids 1-ethyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide [EMIM]+[(CF3SO2)2N]- and 1-butyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide BMIM]+[(CF3SO2)2N]- and acetone, 2-propanol and water. The experimental VLE data of the binary systems were correlated using theWilson, NRTL and UNIQUAC models. The errors usingWilson, NRTL, and UNIQUAC are 3.92%, 1.45%, and 1.53%. The gE-model parameters of the binary systems were used to predict the VLE behavior of the ternary systems and the predictions were compared to the experimental datasets. The errors using Wilson-, NRTL-, and UNIQUAC-parameters are 5.61%, 7.22%, and 5.02%.
Compounds
# Formula Name
1 C8H11F6N3O4S2 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
2 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
3 C3H6O acetone
4 C3H8O propan-2-ol
5 H2O water
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
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 2
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 2
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 29
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 35
  • POMD
  • 5
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 21
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 31
  • POMD
  • 4
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 32
  • POMD
  • 5
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 20
  • POMD
  • 4
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 90
  • POMD
  • 4
  • 5
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 92
  • POMD
  • 4
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 91
  • POMD
  • 4
  • 5
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 89