Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurements of activity coefficients at infinite dilution in vegetable oils and capric acid using the dilutor technique

Belting, P. C.[Patricia C.], Rarey, J.[Jurgen], Gmehling, J.[Jurgen], Ceriani, R.[Roberta], Chiavone-Filho, O.[Osvaldo], Meirelles, A. J. A.[Antonio J.A.]
Fluid Phase Equilib. 2014, 361, 215-222
ABSTRACT
This paper reports experimental activity coefficients at infinite dilution for methanol, ethanol and nhexane in three refined vegetable oils (soybean, sunflower, and rapeseed oils) measured using the dilutor technique (inert gas stripping method). The measurements were carried out in the temperature range between 313.15 and 353.15 K. Furthermore, activity coefficients at infinite dilution for various solutes (acetone, methanol, ethanol, n-hexane, cyclohexane and toluene) were measured in capric (decanoic) acid using the same technique in the temperature range from 313.13 to 353.30 K. The new data obtained for capric acid and soybean oil were compared with already published experimental data. Additionally, densities of the investigated vegetable oils were measured in the temperature range from 293.15 to 353.15 K. Using the experimental activity coefficients at infinite dilution obtained over the temperature range, the partial molar excess Gibbs energy, enthalpy and entropy at infinite dilution were determined. The relative error for the measurements carried out using the dilutor technique is approximately +-2.5%. The measured data in the investigated refined vegetable oils were also compared with the results of the group contribution methods original UNIFAC and modified UNIFAC (Dortmund) and an extension of the latter method to triacylglycerols was proposed.
Compounds
# Formula Name
1 CH4O methanol
2 C2H6O ethanol
3 C3H6O acetone
4 C6H14 hexane
5 C6H12 cyclohexane
6 C7H8 toluene
7 C10H20O2 decanoic 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
  • 1
  • 7
  • (Relative) activity - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1
  • POMD
  • 2
  • 7
  • (Relative) activity - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 3
  • 7
  • (Relative) activity - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 3
  • POMD
  • 4
  • 7
  • (Relative) activity - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 5
  • 7
  • (Relative) activity - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 6
  • 7
  • (Relative) activity - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 1