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

Measurement and Correlation of Ternary (Liquid + Liquid) Equilibria for Separation of Cyclohexanone from Water via Isophorone or Mesityl Oxide

Yang, Chong, Liu, Hai, Zhu, Chuanfu, Shi, Midong, He, Gaoyin, Li, Qingsong
J. Chem. Eng. Data 2018, 63, 1, 178-186
ABSTRACT
Liquid-liquid equilibria provide basic data and guidance regarding the design, simulation, and development of an appropriate solvent extraction process. In the current work, the data for the liquid-liquid equilibrium (LLE) of water + cyclohexanone + isophorone and water + cyclohexanone + mesityl oxide systems have been measured at temperatures of (308.15 328.15) K and pressure 101.3 kPa. The empirical Bachman and Hand equations were utilized to confirm the consistency of experimentally determined LLE data. Meanwhile, the solute distribution ratio and separation parameter were obtained from the experimental equilibrium data to evaluate the extraction properties of the selected solvents. Additionally, a mathematical regression of experimental tie-line compositions for all of the investigated ternary mixtures was performed by means of the nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) activity coefficient models to acquire corresponding optimized binary interaction parameters. The correlation results were verified to be coincident with the experimental ones and revealed that the above two thermodynamic models were of high-accuracy and suitable to regress the tie-line compositions for the investigated ternary systems.
Compounds
# Formula Name
1 C6H10O cyclohexanone
2 C9H14O 3,5,5-trimethyl-2-cyclohexen-1-one
3 C6H10O 4-methyl-3-penten-2-one
4 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
  • 4
  • 1
  • 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 24
  • POMD
  • 4
  • 1
  • 3
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 24