Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase equilibria for benzene-cyclohexene and activity coefficients at infinite dilution for the ternary systems with ionic liquids

Cehreli, S.[Suheyla], Gmehling, J.[Jurgen]
Fluid Phase Equilib. 2010, 295, 1, 125-129
ABSTRACT
Vapor-liquid equilibria (VLE) for the binary system benzene-cyclohexene and the ternary systems with the ionic liquids 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [HMIM]+[BTI]-, 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [BMIM]+[BTI]-, N-hexylpyridinium bis (trifluoromethylsulfonyl) imide [HPY]+[BTI]-, 1-hexyl-3-methylimidazolium tetrafluoroborate [HMIM]+[BF4]- and 1-butyl-3-methyimidazolium trifluoromethansulfonate [BMIM]+[OTF]- as potential entrainers were measured, to investigate the influence of ionic liquids on the separation factor. The experimental data were compared with the predicted results using mod. UNIFAC (Do). Furthermore activity coefficients at infinite dilution (gamma) were measured for benzene in the ionic liquids [HMIM]+[BF4]-, 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM]+[BF4]- and [HPY]+[BTI]-; for cyclohexene in [HMIM]+[BF4]- and [HPY]+[BTI]-. The activity coefficient at infinite dilution values were used to determine the selectivities (Sij) at infinite dilution and the capacities ki=1/gamma for the system benzene-cyclohexene. Additionally solid-liquid equilibria (SLE) for the system benzene-cyclohexene were measured visually using the synthetic method. The measured SLE data were compared with the results of the group contribution methods UNIFAC and mod. UNIFAC (Do).
Compounds
# Formula Name
1 C6H6 benzene
2 C6H10 cyclohexene
3 C14H20F6N2O4S2 1-hexyl-3-methylpyridinium 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
4 C10H19BF4N2 1-hexyl-3-methylimidazolium tetrafluoroborate
5 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
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
  • 3
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Dilutor technique
  • 4
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 8
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Dilutor technique
  • 3
  • POMD
  • 2
  • 3
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Dilutor technique
  • 4
  • POMD
  • 2
  • 4
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Dilutor technique
  • 4
  • POMD
  • 1
  • 4
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Dilutor technique
  • 4