Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase equilibrium measurements and modelling of ternary system (carbon dioxide + ethanol + palmitic acid)

Comim, S. R. R.[Sibele R. Rosso], Franceschi, E.[Elton], Borges, G. R.[Gustavo R.], Corazza, M. L.[Marcos L.], Oliveira, J. V.[J Vladimir], Ferreira, S. R. S.[Sandra R.S.]
J. Chem. Thermodyn. 2010, 42, 3, 348-354
ABSTRACT
This work reports phase equilibrium measurements for the ternary system (palmitic acid + ethanol + CO2). The motivation of this research relies on the fact that palmitic acid is the major compound of several vegetable oils. Besides, equilibrium data for palmitic acid in carbon dioxide using ethanol as co-solvent are scarce in the literature. Phase equilibrium experiments were performed using a high-pressure variable-volume view cell over the temperature range of (303 to 343) K and pressures up to 20 MPa and mole fraction of palmitic acid from 0.0199 to 0.2930. Vapour liquid and solid fluid transitions were visually observed for the system studied. The Peng Robinson equation of state, with the classical van der Waals quadratic mixing rule was employed for thermodynamic modelling of the system investigated with a satisfactory agreement between experimental and calculated values.
Compounds
# Formula Name
1 C2H6O ethanol
2 CO2 carbon dioxide
3 C16H32O2 hexadecanoic acid
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
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Crystal - 3
  • Derived from phase diagram analysis
  • 8
  • POMD
  • 3
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 4
  • POMD
  • 3
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS
  • 46
  • POMD
  • 3
  • 1
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 34