Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid liquid equilibrium of ternary systems 1-butyl-3-methylimidazolium hexafluorophosphate + aromatic + aliphatic

Maduro, R. M.[Raquel M.], Aznar, M.[Martin]
Fluid Phase Equilib. 2008, 265, 1-2, 129-138
ABSTRACT
Liquid liquid equilibrium data for the ternary systems nonane + benzene + [bmim][PF6], nonane + toluene + [bmim][PF6], nonane +mxylene + [bmim][PF6], undecane + benzene + [bmim][PF6], undecane + toluene + [bmim][PF6], undecane +m-xylene + [bmim][PF6]) were determined at 298.15 K. Binodal curves were obtained by the cloud point method, while tie-line compositions were obtained by density and UV spectrophotometry measurements. In all cases the two-phase region is large and wide. The values of distribution coefficients and selectivities indicate that the ionic liquid [bmim][PF6] is a good solvent for the extraction of aromatic from aliphatic compounds. The consistency of the tie-line data was ascertained by applying the Othmer Tobias correlation. The experimental LLE data were correlated through the well-known NRTL model for the activity coefficient, with estimation of new interaction energy parameters, using the Simplex minimization method and a compositionbased objective function. The results, analyzed in terms of root mean square deviations between experimental and calculated compositions, were considered satisfactory.
Compounds
# Formula Name
1 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
2 C6H6 benzene
3 C7H8 toluene
4 C8H10 1,3-dimethylbenzene
5 C9H20 nonane
6 C11H24 undecane
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 2
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VIBTUB:UFactor:16
  • 12
  • POMD
  • 2
  • 5
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 12
  • POMD
  • 2
  • 5
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 5
  • POMD
  • 3
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VIBTUB:UFactor:32
  • 8
  • POMD
  • 3
  • 5
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 8
  • POMD
  • 3
  • 5
  • 1
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 3
  • POMD
  • 4
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VIBTUB:UFactor:32
  • 11
  • POMD
  • 4
  • 5
  • 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 11
  • POMD
  • 4
  • 5
  • 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 5
  • POMD
  • 2
  • 6
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VIBTUB:UFactor:32
  • 8
  • POMD
  • 2
  • 6
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 8
  • POMD
  • 2
  • 6
  • 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 5
  • POMD
  • 3
  • 6
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VIBTUB:UFactor:32
  • 9
  • POMD
  • 3
  • 6
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 9
  • POMD
  • 3
  • 6
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 4
  • POMD
  • 4
  • 6
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VIBTUB:UFactor:32
  • 10
  • POMD
  • 4
  • 6
  • 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 10
  • POMD
  • 4
  • 6
  • 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 4