Reaction Mechanisms for reacting Systems in polygeneration

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The research group investigates the use of reciprocating engines for the co-generation of chemical compounds. The aim of the project is to devise detailed reaction mechanisms fort these high temperature processes as well as their simplification to reduced mechanisms. These mechanisms are supplied to the other research groups for a subsequent use in the simulation and optimization of the process. Existing mechanisms will be improved and extended such they are able to describe not only global parameters such as heat release or ignition delay times, but also temporal species concentrations during the reaction. The model reduction will be based on the GQL (Global Quasi-Linearisation) concept. The focus of the proposed project phase is the integration of ozone decay mechanisms, since ozone has a very high potential as a reaction accelerator. In the model reduction, novel methods based on pseudo-elementary reactions are developed, which allow an efficient implementation of the reduced models in simulation and optimization.