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

Ternary Liquid-Liquid Equilibrium of Toluene + Dimethyl Carbonate + ILs at 298.15 K and Atmospheric Pressure

Zhu, Z.[Zhaoyou], Li, X.[Xin], Geng, X.[Xueli], Cui, P.[Peizhe], Yang, J.[Jingwei], Wang, Y.[Yinglong], Ma, Y.[Yixin], Xu, D.[Dongmei]
J. Chem. Eng. Data 2019, 64, 8, 3598-3605
ABSTRACT
The separation of toluene and dimethyl carbonate azeotropes is beneficial for resource recovery and environmental protection. Ionic liquids (ILs) are widely considered as green solvent. The feasibility for separating the toluene and dimethyl carbonate mixtures with pinch point using 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]), 1-hexyl-3-methylimidazolium hexafluorophosphate ([Hmim][PF6]), 1-butyl-3-methylimidazolium dicyanamide ([Bmim][DCA]) and 1-ethyl-3-methylimidazolium dicyanamide ([Emim][DCA]) as solvent are investigated in this work. The ternary liquid-liquid equilibrium data of toluene + dimethyl carbonate + ILs are determined at 298.15 K under 101.325 kPa. The distribution coefficient () and selectivity (S) are used to evaluate the extraction performance of ILs. The selectivity at the infinite-dilution activity coefficient ( dimethyl carbonate,toluene S V ) based on COSMO-SAC is compared with the selectivity calculated from experiment data. Interaction relationship among toluene, dimethyl carbonate and ILs are studied based on poundsm-profiles and bond energy. The binary interaction parameters of NRTL and UNIQUAC models are well regressed from the experimental data.
Compounds
# Formula Name
1 C7H8 toluene
2 C3H6O3 dimethyl carbonate
3 C10H15N5 1-butyl-3-methylimidazolium dicyanamide
4 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
5 C8H11N5 1-ethyl-3-methylimidazolium dicyanamide
6 C10H19F6N2P 1-hexyl-3-methylimidazolium hexafluorophosphate
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 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 7
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; 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
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; 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
  • 1
  • 2
  • 6
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; 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