Kinetic Modeling of Liquid Phase Oxidation of Cyclohexane

A kinetic model for the liquid phase oxidation (LPO) of cyclohexane has been derived using a reaction network based on a consistent free radical mechanism. It was demonstrated that on embedding this rate model within the overall model of a semibatch gas-liquid reactor (SBR) one can predict the time variation of the dissolved oxygen concentration and the rate of oxygen absorption which compare fairly closely with some well regarded published experimental data. The model is distinguished by easy extendibility and modularity whereby it could be tailored to predict, in the context of a SBR, cyclohexane conversion and ketone-alcohol (K-A) product selectivity levels as observed in commercial plants and in the published data on pilot plant experimentation. The model is expected to be of use in the design and scale-up of LPO reactors.