Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase equilibrium measurements and thermodynamic modeling of binary mixtures containing a diesel compound n-dodecane + biodiesel compounds: Ethyl dodecanoate and ethyl octanoate

Chabane, S.[Samy], Benziane, M.[Mokhtar], Khimeche, K.[Kamel], Didaoui, S.[Saeda], Mokbel, I.[Ilham], Trache, D.[Djalal], Jose, J.[Jacques], Yagoubi, N.[Najet]
J. Chem. Thermodyn. 2017, 113, 107-115
ABSTRACT
The vapor pressures of two binary systems ethyl dodecanoate (1) + n-dodecane (2) and ethyl octanoate (1) + n-dodecane (2) , were measured by means of a static apparatus at temperatures between 373.15 K and 453.15 K. The data were correlated with the Antoine equation. From these data, the molar excess Gibbs energies GE were obtained with Barker's method and fitted to the Redlich-Kister equation. The binary mixture (ethyl octanoate (1) + n-dodecane (2)) exhibits maximum azeotropic behavior. Positive values of the excess Gibbs energy are obtained for all the investigated constant temperatures and over the whole composition range. The data were also correlated by using Wilson equation and good results were obtained in the prediction of the total pressure and thermodynamic excess properties; however deviations were observed with respect to the experimental and predicted GE, using modified UNIFAC (Dortmund) group contribution model. Additionally, the NRTL model was applied to regress the experimental GE. The investigated systems were successfully represented by the NRTL model.
Compounds
# Formula Name
1 C10H20O2 ethyl octanoate
2 C14H28O2 ethyl dodecanoate
3 C12H26 dodecane
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
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 45
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 45