Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and correlation of ternary phase equilibrium of (hexane + ethyl acetate) with four ILs

Wen, Guilin, Xu, Xicai, Jia, Hui, Zhang, Xia, Geng, Xueli, Wang, Yinglong
J. Chem. Thermodyn. 2018, 116, 114-120
ABSTRACT
The ternary liquid-liquid phase equilibria (LLE) for four systems including {hexane + ethyl acetate + 1-hexyl-3-methylimidazolium tetrafluoroborate ([Hmim][BF4])}, 1-octyl-3-methylimidazolium tetrafluoroborate ([Omim][BF4]), 1-hexyl-3-methylimidazolium trifluoromethanesulfonate ([Hmim][OTf]), and 1-octyl-3-methylimidazolium trifluoromethanesulfonate ([Omim][OTf])} were determined at 298.15 K and atmospheric pressure. All the investigated systems exhibited Treybal type I behaviour. The solute distribution ratio (b) and the selectivity (S) were calculated for each system to estimate the efficiency of the separation of a hexane + ethyl acetate mixture using ionic liquids as the solvent. The influence of the anion and substituent group of the cation imidazolium rings of the ionic liquid on the LLE was revealed. Two models, NRTL and UNIQUAC, were used to correlate the experimental LLE results for which the binary interaction parameters were obtained. The UNIFAC model was used to predict the LLE data of the ternary systems, and the results were compared with experimental data.
Compounds
# Formula Name
1 C4H8O2 ethyl acetate
2 C6H14 hexane
3 C10H19BF4N2 1-hexyl-3-methylimidazolium tetrafluoroborate
4 C11H19F3N2O3S 1-hexyl-3-methylimidazolium trifluoromethanesulfonate
5 C12H23BF4N2 1-methyl-3-octylimidazolium tetrafluoroborate
6 C13H23F3N2O3S 1-octyl-3-methylimidazolium trifluoromethanesulfonate
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
  • 2
  • 1
  • 3
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 2
  • 1
  • 3
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 19
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 7
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 8
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 2
  • 1
  • 6
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 2
  • 1
  • 6
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 2
  • 6
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1