Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Ternary liquid-liquid equilibrium of an azeotropic mixture (hexane + methanol) with different imidazolium-based ionic liquids at T = 298.15 K and 101.325 kPa

Wen, Guilin, Bai, Wenting, Zheng, Fengbin, Reyes-Labarta, Juan A., Ma, Yixin, Wang, Yinglong, Gao, Jun
Fluid Phase Equilib. 2018, 461, 51-56
ABSTRACT
The recovery and purification of methanol from its mixtures is of great importance; to this end, liquid-liquid extraction is an effective method for the separation of azeotropes. In this work, three imidazolium-based ionic liquids were used to separate a hexane-methanol azeotropic mixture, and the ternary liquid-liquid equilibria (LLE) data for the systems of hexane + methanol + [MIM][HSO4] (1-methylmidazole hydrogen sulfate), [BMIM][HSO4] (1-Butyl-3-methylimidazolium hydrogen sulfate), [BMIM][OTf] (1-Butyl-3-methylimidazolium trifluoromethansulfonate) were measured at 298.15 K and atmospheric pressure. The separation factor and distribution coefficient were calculated from the experimental LLE data to evaluate the separation performance. The influence of the anions and mono-/di-substituted hydrocarbon chains on the imidazolium cation ring of the LLE was investigated. The experimental LLE data were successfully correlated by non-random two liquid (NRTL) and universal quasi-chemical (UNIQUAC) models, and the binary interaction parameters were obtained.
Compounds
# Formula Name
1 C6H14 hexane
2 CH4O methanol
3 C4H8N2O4S 1-methylimidazolium hydrogen sulfate
4 C8H16N2O4S 1-butyl-3-methylimidazolium hydrogen sulfate
5 C9H15F3N2O3S 1-butyl-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
  • 1
  • 2
  • 3
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 6
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 6
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 7