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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.

The present work introduces an innovative mechanistically based 0D spray model which is coupled to a combustion model on the basis of an advanced mixture controlled combustion approach. The model calculates the rate of heat release based on the injection rate profile and the in-cylinder state. The air/fuel distribution in the spray is predicted based on momentum conservation by applying first principles. On the basis of the 2-zone cylinder framework, NOx emissions are calculated by the Zeldovich mechanism. The combustion and emission models are calibrated and validated with a series of dedicated test bed data specifically revealing its capability of describing the impact of variations of EGR, injection timing, and injection pressure. A model based optimization is carried out, aiming at an optimum trade-off between fuel consumption and engine-out emissions. The findings serve to estimate an economic optimum point in the NOx/BSFC trade-off.