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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.

This paper presents a numerical study on the impact of washcoat diffusion on the overall conversion performance of catalytic converters. A comprehensive transient 1D pore diffusion reaction model is embedded in state-of-the-art 1D and 3D catalytic converter models. The pore diffusion model is discussed with its model equations and the applied diffusive transport approaches are summarized. The diffusion reaction model is validated with the help of two available analytical solutions. The impact of basic washcoat characteristics such as pore diameters or thickness on overall conversion performance is investigated by selected 1D+1D calculations. This model is also used to highlight the impact of boundary layer transfer, pore diffusion and reaction on the overall converter conversion performance. The interaction of pore diffusion and flow non-uniformities is demonstrated by 3D+1D CFD simulations.