Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Ternary liquid liquid equilibria for mixtures of toluene + n-heptane + an ionic liquid

Meindersma, G. W., Podt, A. J. G.[Anita J.G.], deHaan, A. B.[Andre B.]
Fluid Phase Equilib. 2006, 247, 1-2, 158-168
ABSTRACT
This research has been focused on a study of sulfolane and four ionic liquids as solvents in liquid liquid extraction. Liquid liquid equilibria data were obtained for mixtures of (sulfolane or 4-methyl-N-butylpyridinium tetrafluoroborate ([mebupy]BF4) or 1-ethyl-3-methylimidazolium ethylsulfate ([emim]C2H5SO4) or 1,3-dimethylimidazolium methylsulfate ([mmim]CH3SO4) or 1-butyl-3-methylimidazolium methylsulfate ([bmim]CH3SO4)) + toluene + n-heptane at T = 313.2 and 348.2 K and p = 0.1 MPa. The experimental data for the binary and ternary systems were well correlated with the NRTL model. The toluene/heptane selectivity values were higher with all four ionic liquids tested than with sulfolane, which is one of the most common solvents for extraction of aromatic hydrocarbons from mixtures of aromatic and aliphatic hydrocarbons used in industry. The ionic liquid [mebupy]BF4 showed an optimal combination of a high toluene distribution coefficient and a high toluene/n-heptane selectivity. These values were for the range of toluene concentrations below 55 mol% at 313.2 K and below 45 mol% at 348.2 K higher than those with sulfolane. The ionic liquid [mebupy]BF4 is, therefore, a suitable solvent to replace sulfolane for an industrial extraction process for the separation of aromatic and aliphatic hydrocarbons.
Compounds
# Formula Name
1 C6H12N2O4S 1,3-dimethylimidazolium methylsulfate
2 C9H18N2O4S 1-butyl-3-methylimidazolium methyl sulfate
3 C4H8O2S sulfolane
4 C10H16BF4N 1-butyl-4-methylpyridinium tetrafluoroborate
5 C7H8 toluene
6 C7H16 heptane
7 C8H16N2O4S 1-ethyl-3-methylimidazolium ethyl sulfate
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
  • 6
  • 4
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 6
  • 4
  • Mole fraction - 6 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 2
  • POMD
  • 5
  • 4
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 2
  • POMD
  • 6
  • 7
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 2
  • POMD
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 2
  • POMD
  • 5
  • 7
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 2
  • POMD
  • 6
  • 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 6
  • 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 5
  • 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 6
  • 2
  • Mole fraction - 6 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 2
  • POMD
  • 5
  • 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 2
  • POMD
  • 5
  • 3
  • 6
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 23
  • POMD
  • 5
  • 6
  • 4
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 27
  • POMD
  • 5
  • 6
  • 7
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 42
  • POMD
  • 5
  • 6
  • 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 42
  • POMD
  • 5
  • 6
  • 2
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 26