Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibria in the ternary and multicomponent systems involving hydrocarbons, thiophene or pyridine and ionic liquid (1-benzyl-3-metylimidazolium bis(trifluorometylsulfonyl)imide)

Rogosic, M.[Marko], Sander, A.[Aleksandra], Kojic, V.[Vedran], Vukovic, J. P.[Jelena Parlov]
Fluid Phase Equilib. 2016, 412, 39-50
ABSTRACT
Liquid-liquid equilibrium for eight ternary systems involving one hydrocarbon (from a series involving aliphatics n-hexane, n-heptane, i-octane or aromatics toluene) one solute (thiophene or pyridine) and an ionic liquid (IL, 1-benzyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide) was experimentally measured at atmospheric pressure and 25 C. Equilibrium data are presented qualitatively, with solubility curves and quantitatively, with tie lines. The appropriateness of IL for extractive desulfurization, denitrification and dearomatization was evaluated with respect to solute distribution ratio, selectivity and efficiency of IL. Extraction experiments with seven-component systems model solutions and real refinery FCC gasoline have been performed. The equilibrium data were used for the calculation of interaction parameters of NRTL and UNIQUAC activity coefficient models.
Compounds
# Formula Name
1 C6H14 hexane
2 C7H16 heptane
3 C7H8 toluene
4 C5H5N pyridine
5 C4H4S thiophene
6 C13H13F6N3O4S2 1-benzyl-3-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide
7 C8H18 2,2,4-trimethylpentane
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
  • 4
  • 6
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 22
  • POMD
  • 1
  • 4
  • 6
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 6
  • POMD
  • 4
  • 2
  • 6
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 20
  • POMD
  • 4
  • 2
  • 6
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 6
  • POMD
  • 3
  • 4
  • 6
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 14
  • POMD
  • 3
  • 4
  • 6
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 5
  • POMD
  • 5
  • 1
  • 6
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 12
  • POMD
  • 5
  • 1
  • 6
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 5; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 10
  • POMD
  • 5
  • 2
  • 6
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 12
  • POMD
  • 5
  • 2
  • 6
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 5; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 10
  • POMD
  • 3
  • 5
  • 6
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 7
  • POMD
  • 3
  • 5
  • 6
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 5; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 10
  • POMD
  • 4
  • 7
  • 6
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 20
  • POMD
  • 4
  • 7
  • 6
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 6
  • POMD
  • 5
  • 7
  • 6
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11
  • POMD
  • 5
  • 7
  • 6
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 5; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 10