Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Experimental Measurement and Thermodynamic Model of Liquid-Liquid Equilibrium for the Ternary System of 1-Dodecanol-Phenol-Water

Jiang, M.[Meiling], Shen, S.[Shuai], Chen, Y.[Yun]
J. Chem. Eng. Data 2019, 64, 6, 2801-2808
ABSTRACT
1-Dodecanol with low solubility in water is a potential solvent to extract phenol from wastewater. The liquid-liquid equilibrium data of the ternary system (1-dodecanol + phenol + water) were measured at 298.15 K, 313.15 K, 323.15 K, 333.15 K and 343.15 K under atmospheric pressure. The experimental data were correlated by the non-random two liquids (NRTL) and universal quasi-chemical (UNIQUAC) models and the corresponding binary parameters were obtained. The results show that the two models agree well with experimental values. Compared of the average values of the root mean squared deviation (RMSD) from both models, the NRTL model is more accurate than the UNIQUAC model. The effect of temperature on the extraction process is discussed, and temperature has little effect on extraction efficiency. The van't Hoff equation is used to correlate the relationship of distribution coefficient with temperatures. The enthalpy change of the extraction process was calculated, and result shows that extraction of phenol from water by 1-dodecanol is an exothermic process.
Compounds
# Formula Name
1 C6H6O phenol
2 C12H26O dodecan-1-ol
3 H2O water
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
  • 1
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 45
  • POMD
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 5
  • POMD
  • 2
  • 3
  • Mass fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 5