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A dynamic model of an industrial packed-bed multi-tubular reactor was developed to investigate performance of an industrial ethylene oxide (EO) reactor, conducting epoxidation of ethylene over a silver-based catalyst. The set of nonlinear kinetic rate equations for the catalytic oxidation process in the presence of ethylene dichloride (EDC) as a moderator was coupled with the governing heat and mass transfer equations along the packed bed. Catalyst deactivation was modelled as a nonlinear function of operating time and the equation was benchmarked against plant data for the period of operation. Our process model was compared with experimental data obtained from an industrial EO reactor. The model predictions were found to agree well with the plant data. The influences of operating parameters such as EDC level, reactant concentrations, reactor pressure, coolant temperature and the feed temperature on reactor performance were investigated. The variables having significant impact on work rate and selectivity were identified. The model was used to optimise the performance of ethylene oxide reactor for maximising work rate and selectivity.

This work is focused on the modelling, analysis and optimization of industrial ethylene oxide production in a packed bed reactor. The aim is to identify the critical variables that maximize the reactor productivity in an existing facility without compromising personnel safety and equipment integrity. The chemical reactions involved are highly exothermic making the internal temperature control of this unit a challenging task. Temperature excursions at dangerous levels have been experienced due to variations in composition and temperature of fresh feed to the reactor. Therefore, the prediction of dynamic temperature and composition profiles in the reactor are important for its safe operation. The model we developed incorporates catalyst deactivation and the effect of an inhibitory agent: 1,2-dichloroethene. The model predictions were found to be in good agreement with the plant data. Our model-based optimization studies show that the optimal set point for the inlet coolant temperature is suitable for preventing reactor hot spots and maximizing ethylene oxide selectivity. The heat integration aspects of the process were addressed.

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