Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

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

Maduro, R. M.[Raquel M.], Aznar, M.[Martin]
Fluid Phase Equilib. 2010, 296, 2, 88-94
ABSTRACT
The phase behavior of six ternary systems involving an aromatic hydrocarbon (benzene, toluene or m-xylene), an aliphatic hydrocarbon (nonane or undecane), and an ionic liquid (1-octyl-3-methylimidazolium hexafluorophosphate, [omim][PF6]) was experimentally studied at 298.15 K and atmospheric pressure, totalizing 26 tie-lines. The main goal is to determine if [omim][PF6] is a good solvent for the separation of the aromatic and aliphatic compounds, a common operation in the processing of reformed naphtha. All the ternary diagrams are of type 1, with high and wide two-phase regions, which show that [omim][PF6] is a good solvent for the extraction of aromatic from aliphatic hydrocarbons. The Othmer Tobias correlation was used for evaluation of the quality of the tie-line data, with good results. The data were correlated with the NRTL model for the activity coefficient, with estimation of new interaction energy parameters by using a modified Simplex method and a composition-based objective function. The results, expressed by root mean square deviations between experimental and calculated compositions, are very satisfactory.
Compounds
# Formula Name
1 C12H23F6N2P 1-octyl-3-methylimidazolium hexafluorophosphate
2 C6H6 benzene
3 C9H20 nonane
4 C7H8 toluene
5 C8H10 1,3-dimethylbenzene
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
  • 3
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Vibrating tube method
  • 10
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 2; 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
  • 4
  • POMD
  • 2
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • UV spectrophotometry
  • 10
  • POMD
  • 4
  • 3
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Vibrating tube method
  • 10
  • POMD
  • 4
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • UV spectrophotometry
  • 10
  • POMD
  • 4
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 4; 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
  • 4
  • POMD
  • 5
  • 3
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Vibrating tube method
  • 8
  • POMD
  • 5
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • UV spectrophotometry
  • 8
  • POMD
  • 5
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 5; 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
  • 4
  • POMD
  • 2
  • 6
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Vibrating tube method
  • 8
  • POMD
  • 2
  • 6
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • UV spectrophotometry
  • 8
  • POMD
  • 2
  • 6
  • 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 2; 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
  • 4
  • POMD
  • 4
  • 6
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Vibrating tube method
  • 10
  • POMD
  • 4
  • 6
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • UV spectrophotometry
  • 10
  • POMD
  • 4
  • 6
  • 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 4; 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
  • 5
  • POMD
  • 5
  • 6
  • 1
  • Mass density, kg/m3 ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Vibrating tube method
  • 9
  • POMD
  • 5
  • 6
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Mole fraction - 6; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • UV spectrophotometry
  • 9
  • POMD
  • 5
  • 6
  • 1
  • Mole fraction - 6 ; Liquid mixture 1
  • Mole fraction - 6 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Density data calibration
  • Density data calibration
  • Density data calibration
  • 5