Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Capacity of ionic liquids [EMim][NTf2] and [EMpy][NTf2] for extraction of toluene from mixtures with alkanes: Comparative study of the effect of the cation

Corderi, S., Calvar, N., Gomez, E., Dominguez, A.
Fluid Phase Equilib. 2012, 315, 46-52
ABSTRACT
The ionic liquids 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [EMim][NTf2] and 1-ethyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide, [EMpy][NTf2] have been studied as solvents for the extraction of toluene from mixtures with alkanes (heptane or cyclohexane). The liquid-liquid equilibria of ternary systems {heptane or cyclohexane + toluene + [EMim][NTf2] or [EMpy][NTf2]} and {heptane + cyclohexane + [EMim][NTf2] or [EMpy][NTf2]} at 298.15K and atmospheric pressure were determined. The solute distribution ratio and selectivity derived from the tie-lines were used to determine if these ionic liquids can be used as extraction solvents. The tie-lines were satisfactorily correlated by means of the thermodynamic NRTL model for ternary systems with [EMpy][NTf2] and with NRTL and UNIQUAC models for the ternary systems with [EMim][NTf2].
Compounds
# Formula Name
1 C7H16 heptane
2 C6H12 cyclohexane
3 C7H8 toluene
4 C6H11ClN2 1-ethyl-3-methylimidazolium chloride
5 C10H17NO4S 1-ethyl-3-methylpyridinium ethylsulfate
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
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 13
  • POMD
  • 3
  • 1
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 10
  • POMD
  • 3
  • 1
  • 5
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 10
  • POMD
  • 3
  • 2
  • 4
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 10
  • POMD
  • 3
  • 2
  • 5
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 10
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 10
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 10