Study On Simulation Of Continuous Cyclohexanone Ammoximation Reaction Over Monolithic TS-1 Catalyst

The reaction process of cyclohexanone ammoximation reaction catalyzed by TS-1 zeolite is environmentally friendly with a high conversion, it has brought a new perspective for caprolactam production, and has received widespread attentions of scholars. Continuous cyclohexanone ammoximation catalyzed by monolithic TS-1 zeolite has solved the problem that it's difficult to separate the catalyst particles. In this paper, the reaction and mass transfer processes in the monolithic channels were simulated on the basis of experimental data. The models described the reaction process from startup to steady-state, and investigated the appropriate experimental conditions.The study established a one-dimensional model to observe and study the effects of main experimental conditions of temperature, external circulation flow rate and catalyst loading on the conversion of cyclohexanone. Generally, the model results matched the experimental data well. The concentrations of the reactants during the reaction process were studied, and showed that there was a peak value of cyclohexanone concentration, which was higher at lower temperatures. Furthermore, the results provided optimal concentration of hydrogen peroxide and ammonia at steady-state to shorten the startup time. Besides, the results of one-dimensional model and ideal plug flow model were compared to indicate that the micro-size of the monolithic channel has provided a good mass transfer process for the reaction components.In this research, a modified one-dimensional model was established to study the relative resistances of the reaction and mass transfer processes. It discussed the main control process of the reaction at different temperatures with different numbers and sizes of channels, and proposed the appropriate experimental conditions. The simulation results showed that there was little effect of mass transfer process in the catalyst coating layer.In addition, a multi-channel model and a model considering the development of the import segment concentrations were also set up. We compared several models to verify the assumption that the flow was regarded as fully developed laminar flow is reasonable, and the single-channel one-dimensional model can describe this reaction process well.