Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Comparative study of the LLE of the quaternary and ternary systems involving benzene, n-octane, n-decane and the ionic liquid [BMpyr] [NTf2]

Requejo, P. F.[Patricia F.], Calvar, N.[Noelia], Dominguez, A.[Angeles], Gomez, E.[Elena]
J. Chem. Thermodyn. 2016, 98, 56-61
ABSTRACT
In this work, the suitability of the ionic liquid 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfo nyl)imide, [BMpyr][NTf2], as an extraction agent to replace the traditional organic solvents in the separation of aromatic/aliphatic hydrocarbons was evaluated. Following this aim, the (liquid + liquid) equilibrium (LLE) of the quaternary system {n-octane (1) + n-decane (2) + benzene (3) + [BMpyr][NTf2] (4)} and its corresponding ternary systems {n-octane or n-decane (1) + benzene (2) + [BMpyr][NTf2] (3)} was determined at T = 298.15 K and at 101.3 kPa. Solute distribution ratio and selectivity were calculated from the experimental LLE values in order to evaluate the capability of this ionic liquid to accomplish the separation of benzene from its mixtures with n-octane and n-decane. A comparison of the results obtained from the LLE results of the ternary and quaternary systems was carried out. Finally, the experimental tie-lines compositions were correlated using the NRTL thermodynamic model.
Compounds
# Formula Name
1 C11H20F6N2O4S2 1-butyl-1-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide
2 C6H6 benzene
3 C8H18 octane
4 C10H22 decane
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
  • 1
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 14
  • POMD
  • 2
  • 3
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 3; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 14
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 10
  • POMD
  • 2
  • 4
  • 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 10
  • POMD
  • 2
  • 4
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 10
  • POMD
  • 2
  • 4
  • 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 9
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 3
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 2
  • POMD
  • 4
  • 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 4
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1