Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Separation of Azeotropes Hexane + Ethanol/1-Propanol by Ionic Liquid Extraction: Liquid-Liquid Phase Equilibrium Measurements and Thermodynamic Modeling

Ma, Yixin, Xu, Xicai, Wen, Guilin, Xu, Dongmei, Shi, Puyun, Wang, Yinglong, Gao, Jun
J. Chem. Eng. Data 2017, 62, 12, 4296-4300
ABSTRACT
To separate the azeotropes of hexane + ethanol / 1-propanol, two ionic liquids [HMIM][BF4] and [HMIM][OTf] were adopted as extractive agents. And the corresponding ternary liquid-liquid equilibrium data for the mixtures of hexane + ethanol + [HMIM][BF4], hexane + 1-propanol + [HMIM][BF4] and hexane + 1-propanol + [HMIM][OTf] were measured at 298.15 K and 101.3 kPa. The distribution coefficient (B) and selectivity (S) were obtained to evaluate the separation performance of the selected extractants to extract ethanol / 1-propanol from the azeotropes. Meanwhile, the influence of the ILs anions and the alcohol carbon chain length were investigated. In addition, the NRTL and UNIQUAC models were adopted to correlate the ternary liquid-liquid equilibrium data, and the binary interactive parameters were regressed. And the calculated results of the models agreeed with the measured data. Meanwhile, the binodal curves of the ternary systems were predicted using the UNIFAC model.
Compounds
# Formula Name
1 C2H6O ethanol
2 C3H8O propan-1-ol
3 C6H14 hexane
4 C10H19BF4N2 1-hexyl-3-methylimidazolium tetrafluoroborate
5 C11H19F3N2O3S 1-hexyl-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
  • 3
  • 1
  • 4
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 7
  • POMD
  • 3
  • 2
  • 4
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 7
  • POMD
  • 3
  • 2
  • 5
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 6