Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Vapour + liquid) equilibria, (VLE) excess molar enthalpies and infinite dilution activity coefficients of selected binary systems involving n-hexyl pyridinium bis(trifluoromethylsulphonyl)imide ionic liquid: Experimental and predictions using modified UNIFAC (Dortmund)

Bahadur, I., Pal, A., Gmehling, J., Hector, T., Tumba, K., Singh, S., Ebenso, E. E.
J. Chem. Thermodyn. 2015, 90, 92-99
ABSTRACT
(Vapour + liquid) equilibria (VLE), excess enthalpies (HE) and infinite dilution activity coefficients (c1) were measured for ethanol, propan-1-ol, butan-1-ol and cyclohexane in the presence of the ionic liquid (IL), n-hexyl pyridinium bis (trifluoromethylsulphonyl) imide [HPy][NTf2]. Except for some limiting activity coefficients values, qualitative agreement was generally observed between the reported values and modified UNIFAC (Dortmund) predictions. Experimental results also suggest that the IL studied is less attractive as a separation solvent for the cyclohexane/benzene system than most of bis (trifluoromethylsulphonyl) imide-based ILs. Excess enthalpy values suggest endothermic behaviour when mixing [HPy][NTf2] with the solutes. All the reported results can be used to derive new modelling approaches as well as to improve existing thermodynamic models (including that used in this study) for the description of mixtures involving pyridinium-based ILs.
Compounds
# Formula Name
1 C13H18F6N2O4S2 1-hexylpyridinium bis(trifluromethylsulfonyl)imide
2 C2H6O ethanol
3 C3H8O propan-1-ol
4 C4H10O butan-1-ol
5 C6H12 cyclohexane
6 C6H6 benzene
7 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
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 2
  • 1
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 43
  • POMD
  • 3
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Flow calorimetry
  • 15
  • POMD
  • 3
  • 1
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 43
  • POMD
  • 4
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Flow calorimetry
  • 15
  • POMD
  • 4
  • 1
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 5
  • 1
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 7
  • 1
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 5