Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Vapour + liquid) equilibria of ternary systems with ionic liquids using headspace gas chromatography

Mokhtarani, B.[Babak], Gmehling, J.[Jurgen]
J. Chem. Thermodyn. 2010, 42, 8, 1036-1038
ABSTRACT
(Vapour + liquid) equilibrium (VLE) data for the ternary systems (hexane + benzene), (hexane + cyclohexane), (benzene + cyclohexane), and (ethanol + water) with an ionic liquid as entrainer for extractive distillation were measured by headspace gas chromatography. As ionic liquids, 1-hexyl-3-methyl-imidazolium bis (trifluoromethyl-sulfonyl) imide [HMIM][BTI], 1-octyl-3-methyl-imidazolium bis (trifluoromethyl-sulfonyl) imide [OMIM][BTI], 1-octyl-3-methyl-imidazolium trifluoro-methanesulfonate [OMIM][OTF], and 1-butyl-3-methyl-imidazolium trifluoro-methanesulfonate [BMIM][OTF] were used. The experimental data show that the ionic liquids investigated have a great influence on the separation factors of the systems (hexane + benzene), (hexane + cyclohexane), and (benzene + cyclohexane). The experimental data were compared with the predicted results using mod. UNIFAC (Do). The predicted results are in good agreement with the experimental data.
Compounds
# Formula Name
1 C14H23F6N3O4S2 1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
2 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
3 C13H23F3N2O3S 1-octyl-3-methylimidazolium trifluoromethanesulfonate
4 C9H15F3N2O3S 1-butyl-3-methylimidazolium trifluoromethanesulfonate
5 C2H6O ethanol
6 C6H14 hexane
7 C6H6 benzene
8 C6H12 cyclohexane
9 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
  • 7
  • 6
  • 2
  • Mole fraction - 6 ; Gas
  • Mole fraction - 6; Liquid
  • Temperature, K; Gas
  • Mole fraction - 2; Gas
  • Gas
  • Liquid
  • Chromatography
  • 11
  • POMD
  • 7
  • 6
  • 1
  • Mole fraction - 6 ; Gas
  • Mole fraction - 6; Liquid
  • Temperature, K; Gas
  • Mole fraction - 1; Gas
  • Gas
  • Liquid
  • Chromatography
  • 11
  • POMD
  • 6
  • 8
  • 2
  • Mole fraction - 6 ; Gas
  • Mole fraction - 6; Liquid
  • Temperature, K; Gas
  • Mole fraction - 2; Gas
  • Gas
  • Liquid
  • Chromatography
  • 11
  • POMD
  • 6
  • 8
  • 1
  • Mole fraction - 6 ; Gas
  • Mole fraction - 6; Liquid
  • Temperature, K; Gas
  • Mole fraction - 1; Gas
  • Gas
  • Liquid
  • Chromatography
  • 11
  • POMD
  • 5
  • 9
  • 4
  • Mole fraction - 5 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 5; Liquid
  • Mole fraction - 4; Gas
  • Gas
  • Liquid
  • Chromatography
  • 20
  • POMD
  • 5
  • 9
  • 3
  • Mole fraction - 5 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 5; Liquid
  • Mole fraction - 3; Gas
  • Gas
  • Liquid
  • Chromatography
  • 22
  • POMD
  • 7
  • 8
  • 1
  • Mole fraction - 8 ; Gas
  • Mole fraction - 8; Liquid
  • Temperature, K; Gas
  • Mole fraction - 1; Gas
  • Gas
  • Liquid
  • Chromatography
  • 11