To simulate cyclohexane oxidation reactors using a dynamic model linking kinetics, thermodynamics and hydrodynamics, the acquisition and modeling of vapor-liquid equilibria of the key components, under the process conditions, are essential. In this work, the vapor liquid equilibria of the cyclohexane + cyclohexanol system were determined at temperatures 424, 444, 464 and 484 K. The measurements were carried out using an apparatus based on the "static-analytic" method, with two ROLSI 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). A comparison of model performances reveals the former being better in data representation, while the latter has a broader applicability over larger range of temperatures.
Compounds
#
Formula
Name
1
C6H12
cyclohexane
2
C6H12O
cyclohexanol
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.