Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental measurement and modeling of the Type 3 ternary system containing (decane + water + triacetin)

Revellame, E. D.[Emmanuel D.], Holmes, W. E.[William E.], Hernandez, R.[Rafael], French, W. T.[W. Todd], Lerma, L.[Lader], Forks, A.[Allison], Ashe, T.[Taylor], Estevez, L. A.[L. Antonio]
J. Chem. Thermodyn. 2013, 67, 21-27
ABSTRACT
Experiments were conducted to establish the phase diagram for the ternary system containing (n-decane + water + triacetin) at T = 296.15 K and ambient pressure. Results indicated that this system belongs to Type 3 Treybal classification with a (liquid + liquid + liquid) equilibrium (LLLE) region. Five sets of NRTL parameters were determined using a combination of different objective functions and datasets (binary and ternary). A new objective function based on Gibbs energy minimization and a phase calculation scheme specific for Type 3 ternary systems were developed. Results indicated that the NRTL model can satisfactorily predict the ternary behavior of the system and could accurately correlate binary (liquid + liquid) equilibria (LLE), ternary LLE and ternary LLLE data simultaneously.
Compounds
# Formula Name
1 C10H22 decane
2 H2O water
3 C9H14O6 glyceryl triethanoate
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
  • 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • 1
  • POMD
  • 3
  • 1
  • 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Titration method
  • Titration method
  • Titration method
  • 8
  • POMD
  • 3
  • 1
  • 2
  • Mole fraction - 2 ; Liquid mixture 3
  • Mole fraction - 1 ; Liquid mixture 3
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 3
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • Titration method
  • Titration method
  • Titration method
  • Titration method
  • Titration method
  • 1