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

Vapor-Liquid Equilibrium Measurements and Modeling for Cyclohexane + Cyclohexanone

Coquelet, C.[Christophe], Soo, C.[Chien], Valtz, A.[Alain], Richon, D.[Dominique], Amoros, D.[Daniel], Gayet, H.[Hubert]
J. Chem. Eng. Data 2010, 55, 10, 4521-4524
ABSTRACT
The characteristically low conversion in the oxidation of cyclohexane to form cyclohexanol and cyclohexanone requires significant recovery work via distillation. In this study, new isothermal vapor-liquid equilibria (VLE) are presented for the cyclohexane + cyclohexanone binary system. Measurements were performed at temperatures of (423, 444, 464, and 484) K, using an apparatus based on the static-analytic method, with two ROLSI pneumatic capillary samplers. The generated data are correlated using two equations of state, namely, the Peng-Robinson coupled with the Wong-Sandler mixing rules and the perturbed-chain statistical associating fluid theory (SAFT) with a dipolar contribution by Jog and Chapman. While both models perform reasonably well in describing the phase equilibria, the Peng-Robinson is slightly better than the perturbed-chain SAFT equation of state and tends to be more easily implemented in industrial process simulators.
Compounds
# Formula Name
1 C6H12 cyclohexane
2 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
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 40
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 40