Model-based design of optimal chemical reactors

The core of most chemical processes is the reactor, and therefore optimal reactor design has a large potential to enhance the energy and raw material efficiency of today’s chemical processes. In order to make breakthroughs in chemical reactor technology and to overcome the limitations of existing reactors, process intensification (PI) needs to be applied systematically in the reactor design task. Hence, the scope of this thesis is to create a model-based design methodology which includes PI options and enables the design of innovative tailor-made reactors. In the first part of this work, the fundamentals for the reactor design task are provided and the design framework is explained. The general idea of the design method is based on the conceptual framework of elementary process functions; a fluid element is tracked on its way through the reactor and manipulated by optimal flux profiles to obtain the best reaction conditions over the entire residence time. In order to resolve the complex reactor design task, a three step methodology is developed. In the second part of this thesis, several industrially important examples of increasing complexity are considered. The SO2 oxidation, the air and oxygen based ethylene oxide process, and the hydroformylation of long chain linear alkenes are investigated demonstrating the wide applicability of the method. In summary, the developed reactor design methodology enables the design of optimal tailor-made chemical reactors, which is a first step on the way to more economical, greener, and more sustainable chemical processes. The potential of the method is exemplified on three industrially important processes.