Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Distribution of cyclohexanol and cyclohexanone between water and cyclohexane

Pei, Y.[Yinchuan], Wang, Q.[Qinbo], Gong, X.[Xing], Lei, F.[Fuqiong], Shen, B.[Binwei]
Fluid Phase Equilib. 2015, 394, 129-139
ABSTRACT
Liquid liquid equilibrium (LLE) data for ternary systems water + cyclohexane + cyclohexanol and water + cyclohexane + cyclohexanone were measured at (303.2 333.2) K and under atmospheric pressure. The reliability of the experimental tie-line data was checked by the empirical Othmer Tobias correlation. The distribution coefficient and separation factor were used to investigate the distribution of cyclohexanol and cyclohexanone between water and cyclohexane. The results show that the distribution coefficient of cyclohexanol or cyclohexanone between organic and aqueous phases increases with the increasing content of cyclohexanol or cyclohexanone in water, and so does it with the increasing of temperature. By using the NRTL and UNIQUAC activity coefficient models, the experimentally determined LLE data, along with the LLE data for another ternary system water + cyclohexanol + cyclohexanone [G. Xing, W. Qinbo, L. Fuqiong, S. Binwei, J. Chem. Eng. Data 59 (2013) 1651 1655], were correlated simultaneously. Good agreements were obtained between the correlated and experimentally determined tie-line data. The binary NRTL and UNIQUAC interaction parameters were obtained. Furthermore, four sets of quaternary LLE data for water + cyclohexane + cyclohexanol + cyclohexanone were experimentally determined at 318.2 K. The experimentally determined quaternary LLE data were compared with the NRTL model predicted LLE data, and generally agreements were obtained. It further verifies the reliability of the obtained binary model parameters, and indicates the obtained parameters could be used for prediction, as well as design and optimization of the related separation process.
Compounds
# Formula Name
1 C6H12 cyclohexane
2 C6H10O cyclohexanone
3 C6H12O cyclohexanol
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
  • 3
  • 1
  • 4
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 44
  • POMD
  • 2
  • 1
  • 4
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 44