Reaction Mechanisms for reacting Systems in polygeneration

该研究小组调查了往复式发动机用于联产化合物的情况。该项目的目的是为这些高温过程设计详细的反应机理，并将其简化为简化的机理。这些机制被提供给其他研究小组，以供随后在过程的模拟和优化中使用。现有的机理将被改进和扩展，以便它们不仅能够描述热释放或点火延迟时间等全局参数，而且能够描述反应过程中的时间物种浓度。模型缩减将基于GQL(全球准线性化)概念。拟议项目阶段的重点是整合臭氧衰变机制，因为臭氧作为反应加速器的潜力非常大。在模型降阶方面，提出了基于伪基元反应的模型降阶方法，有效地实现了降阶模型的模拟和优化。

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.