Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

N-butylpyridinium bis-(trifluoromethylsulfonyl)imide ionic liquids as solvents for the liquid-liquid extraction of aromatics from their mixtures with alkanes: isomeric effect of the cation

Garcia, J.[Julian], Garcia, S.[Silvia], Torrecilla, J. S.[.Jose S], Rodriguez, F.[Francisco]
Fluid Phase Equilib. 2011, 301, 1, 62-66
ABSTRACT
The liquid liquid equilibria (LLE) of four ternary systems comprising toluene, heptane, and an ionic liquid with the cation N-butylpyridinium ([bpy]), or 2-methyl-Nbutylpyridinium ([2bmpy]), or 3-methyl-N-butylpyridinium ([3bmpy]), or 4-methyl-Nbutylpyridinium ([4bmpy]), and the anion bis-(trifluoromethylsulfonyl)imide ([Tf2N]) were determined at 313.2 K and atmospheric pressure. The distribution ratios and the separation factor curves from the LLE data were plotted and compared to those for sulfolane. The results show no significant differences in the values of these parameters between [bpy][Tf2N] and [2bmpy][Tf2N], and between [3bmpy][Tf2N] and [4bmpy][Tf2N]. The experimental LLE data were satisfactorily correlated by means of the thermodynamic NRTL model.
Compounds
# Formula Name
1 C11H14F6N2O4S2 1-butylpyridinium bis[(trifluoromethyl)sulfonyl]imide
2 C12H16F6N2O4S2 1-butyl-3-methylpyridinium 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
3 C12H16F6N2O4S2 1-butyl-2-methylpyridinium bis((trifluoromethyl)sulfonyl)amide
4 C12H16F6N2O4S2 1-butyl-4-methylpyridinium bis((trifluoromethyl)sulfonyl)amide
5 C7H16 heptane
6 C7H8 toluene
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
  • 5
  • 1
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • NMR Spectrometry
  • NMR Spectrometry
  • NMR Spectrometry
  • 12
  • POMD
  • 6
  • 5
  • 3
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • NMR Spectrometry
  • NMR Spectrometry
  • NMR Spectrometry
  • 12
  • POMD
  • 6
  • 5
  • 2
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • NMR Spectrometry
  • NMR Spectrometry
  • NMR Spectrometry
  • 12
  • POMD
  • 6
  • 5
  • 4
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • NMR Spectrometry
  • NMR Spectrometry
  • NMR Spectrometry
  • 12