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

Measurements and Correlation of Liquid Liquid Equilibria for the Ternary System Water + Cyclohexanol + Cyclohexanone

Gong, X.[Xing], Wang, Q.[Qinbo], Lei, F.[Fuqiong], Shen, B.[Binwei]
J. Chem. Eng. Data 2014, 59, 5, 1651-1655
ABSTRACT
Liquid liquid equilibrium (LLE) data of the ternary system water + cyclohexanol + cyclohexanone was measured from (303.2 to 333.2) K. The reliability of the experimental tie-line data was confirmed by applying the Othmer Tobias and the Bachman equations. The equilibrium data were correlated with the nonrandom two-liquid (NRTL) and universal quasichemical activity coefficient (UNIQUAC) models. The calculated LLE data for the ternary system agreed well with the experimental data. The root-mean-square deviations (rmsd s) obtained comparing calculated and experimental two-phase compositions are 0.46 % for the NRTL model and 0.44 % for the UNIQUAC model. The obtained interaction parameters can be used in the calculation of LLE for the ternary system water + cyclohexanol + cyclohexanone as well as for the design, simulation, and optimization of the related separation process.
Compounds
# Formula Name
1 H2O water
2 C6H12O cyclohexanol
3 C6H10O cyclohexanone
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
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:2
  • CHROM:UFactor:2
  • CHROM:UFactor:2
  • 36