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The present work introduces an extended particulate filter model focusing on capabilities to cover catalytic and surface storage reactions and to serve as a virtual multi-functional reactor/separator. The model can be classified as a transient, non-isothermal 1D+1D two-channel model. The applied modeling framework offers the required modeling depth to investigate arbitrary catalytic reaction schemes and it follows the computational requirement of running in real-time. The trade-off between model complexity and computational speed is scalable. The model is validated with the help of an analytically solved reference and the model parametrization is demonstrated by simulating experimentally given temperatures of a heat-up measurement. The detailed 1D+1D model is demonstrated in a concept study comparing the impact of different spatial washcoat distributions.

The paper describes a zero-dimensional crank angle resolved combustion model which was developed for the analysis and prediction of combustion in compression ignition (CI) engines. The model relies on the multi zone combustion model (MZCM) approach of Hiroyasu. The main sub-models were taken from literature and extended with additional features described in this paper. A special procedure described in a previous paper is used to identify the mechanisms of the combustion process on the basis of the measured cylinder pressure trace. Based on the identified mechanisms the present work concentrates on the analysis of the causal effects that predominantly control the combustion process and the formation of NOx and Soot. The focus lies on the changes of the thermodynamic states and the composition of the reaction zones caused by different emission control strategies.