Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

A study on the liquid liquid equilibria of 1-alkyl-3-methylimidazolium hexafluorophosphate with ethanol and alkanes

Pereiro, A. B., Rodriguez, A.
Fluid Phase Equilib. 2008, 270, 1-2, 23-29
ABSTRACT
This work demonstrates the ability of the 1-alkyl-3-methylimidazolium hexafluorophosphate to act as an extraction solvent in petrochemical processes for the removal of alkanes from their azeotropic mixture with ethanol. LLE (liquid liquid equilibrium) of the ternary systems hexane + ethanol + 1-hexyl-3- methylimidazolium hexafluorophosphate (HMIM PF6) or 1-octyl-3-methylimidazolium hexafluorophosphate (OMIM PF6) and heptane + ethanol +OMIMPF6 are carried out at 298.15K and atmospheric pressure. Experimental liquid liquid data are correlated by using different equations. The solute distribution ratio and the selectivity, determined from tie-line data, suggest the efficiency of the ILs used as solvents. A comparison with other IL, in terms of solvent capacity, is included. The liquid liquid extraction process is simulated by using conventional software and the obtained results are shown.
Compounds
# Formula Name
1 C6H14 hexane
2 C7H16 heptane
3 C2H6O ethanol
4 C10H19F6N2P 1-hexyl-3-methylimidazolium hexafluorophosphate
5 C12H23F6N2P 1-octyl-3-methylimidazolium hexafluorophosphate
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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • 1
  • 4
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 13
  • 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
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 16
  • 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
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Density calibration data
  • Density calibration data
  • Density calibration data
  • 15