To simulate cyclohexane to cyclohexanol oxidation reactors, the acquisition and modeling of vapor-liquid equilibria of the key components, under the process conditions, are essential. n-Hexanoic acid is a coproduct of the reaction. Vapor-liquid equilibrium data are reported for the cyclohexane + n-hexanoic acid binary system at four temperatures: 413, 423, 464 and 484 K. All measurements have been carried out using an apparatus based on the static-analytic method, with two ROLSI (TM) pneumatic capillary samplers. The generated data are successfully correlated using two equations of state, the Peng-Robinson (PR) and the Perturbed Chain Statistical Association Fluid Theory (PC-SAFT). Both models are capable of representing the experimental data, but the PC-SAFT EoS uses less binary interaction parameters.
Compounds
#
Formula
Name
1
C6H12
cyclohexane
2
C6H12O2
hexanoic acid
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.