Reaction Mechanisms for reacting Systems in polygeneration

该研究小组调查了使用往复式发动机来共同产生化合物。该项目的目的是为这些高温过程设计详细的反应机理以及将其简化为简化的机理。这些机制提供给其他研究小组，用于随后的模拟和优化过程。现有的机制将得到改进和扩展，使他们能够描述不仅是全球性的参数，如热释放或点火延迟时间，但也在反应过程中的时间物种浓度。模型简化将基于GQL（全局准线性化）概念。拟议项目阶段的重点是综合臭氧衰减机制，因为臭氧作为反应加速剂具有很高的潜力。在模型降阶方面，提出了基于伪基元反应的新方法，使降阶模型在模拟和优化中得到了有效的实现。

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.