Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Liquid + liquid) equilibria of (water + linalool + limonene) ternary system at T = (298.15, 308.15, and 318.15) K

Doz, M. B. G. d.[Monica B. Gramajo de], Cases, A. M.[Alicia M.]
J. Chem. Thermodyn. 2008, 40, 11, 1575-1579
ABSTRACT
(Liquid + liquid) equilibrium (LLE) data for {water (1) + linalool (2) + limonene (3)} ternary system at T = (298.15, 308.15, and 318.15 +- 0.05) K are reported. The organic chemicals were quantified by gas chromatography using a flame ionisation detector while water was quantified using a thermal conductivity detector. The effect of the temperature on (liquid + liquid) equilibrium is determined and discussed. Experimental data for the ternary mixture are compared with values calculated by the NRTL and UNIQUAC equations, and predicted by means of the UNIFAC group contribution method. It is found that the UNIQUAC and NRTL models provide a good correlation of the solubility curve at these three temperatures, while comparing the calculated values with the experimental ones, the best fit is obtained with the NRTL model. Finally, the UNIFAC model provides poor results, since it predicts a greater heterogeneous region than experimentally observed.
Compounds
# Formula Name
1 H2O water
2 C10H16 (R)-1-methyl-4-(1-methylethenyl)cyclohexene
3 C10H18O 3,7-dimethyl-1,6-octadien-3-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
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 36