Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Equilibrium data and GC-PC SAFT predictions for furanic extraction

Auger, E.[Eric], Coquelet, C.[Christophe], Valtz, A.[Alain], Nala, M.[Mqondisi], Naidoo, P.[Paramespri.], Ramjugernath, D.[Deresh]
Fluid Phase Equilib. 2016, 430, 57-66
ABSTRACT
The present study concerns phase equilibria measurements involving oxygenated components (furan and furfural) and potential solvents of extraction (n-hexane, ethanol and noctanol) using an ebulliometer at atmospheric pressure. New liquid-liquid equilibrium data concerning the ternary system furan + furfural + n-hexane are also presented. The experimental technique used for the liquid-liquid equilibrium measurements is based on the static analytic method. The two liquid phases are sampled using a syringe and analysed using gas chromatograph. Two thermodynamic approaches are considered for the data treatment: the first considers a dissymmetric approach using the NRTL activity coefficient model, and the second considers a group contribution model based on the PC-SAFT EoS (GC-PPC SAFT). The experimentally measured data were successfully correlated with the models proposed.
Compounds
# Formula Name
1 C6H14 hexane
2 C4H4O furan
3 C5H4O2 2-furaldehyde
4 C2H6O ethanol
5 C8H18O octan-1-ol
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
  • 3
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 24
  • POMD
  • 2
  • 5
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 28
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 28
  • POMD
  • 4
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 14
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 14
  • 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
  • Chromatography
  • 7
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 7
  • POMD
  • 3
  • 2
  • 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 25