Model-based development of optimal reaction concepts for plant wide process intensification

Abstract In order to design optimal chemical reactors, the interaction between reactor and process needs to be considered. In this contribution we propose a new method for the design of optimal reactors in the overall process framework by simultaneous determination of the best reaction concept and optimization of the process design parameters. The reaction concept is apparatus independent and optimal state space profiles for composition and temperature are provided along the reaction coordinate. The oxygen based production of ethylene oxide, one of the most important bulk chemicals, is considered as an example. Here, advanced cooling and distributed dosing of oxygen is identified as best reaction concept from an economical and technological point of view. Applying this innovative reaction concept, the production costs of an average sized plant are reduced by 1.35 Mio $/a, and the CO 2 emissions are decreased by 2.710 4  t/a compared to an optimized reference case. This general method provides a first step towards more economical and greener processes.