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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.

The pressure drop as well as the overall lifetime of wall flow diesel particulate filters is strongly influenced by the capability of storing non-combustible ash. One approach to reach low pressure drops and long filter lifetimes is the application of optimized channel geometries. This study presents a comprehensive simulation approach for filters with asymmetrical channel structures in the presence of soot and ash. The wall flow model, soot loading and regeneration approaches are discussed with all model equations. The soot filtration model distinguishes between the regimes of depth and cake filtration. The regeneration model takes into account soot regeneration reactions, catalytically supported soot reactions and catalytic wall reactions. The simulated pressure drop of filters with different channel diameters at different operating conditions is compared to measured values. The predicted pressure drop due to depth and cake filtration is compared to experimental data.

Future limits on emissions for both gasoline and Diesel engines require adequate and advanced systems for the after-treatment of the exhaust gas. Computer models as a complementary tool to experimental investigations are an indispensable part to design reliable after-treatment devices such as catalytic converters and Diesel particulate filters including their influence on the power-train. Therefore, the objective of this contribution is to present an integrated 1D to 3D simulation workflow of of catalytic converters and Diesel particulate filters. The novelty of this approach is that parameters or set of parameters, obtained by a fast and efficient 1D-gas exchange and cycle simulation code for power-trains (AVL (2002a)), are readily transferable onto a 3D general purpose simulation code (AVL (2002b)). Thus, detailed aspects such as spatial distribution of temperatures or heat losses are investigated with only a single effort to estimate parameters.

Approaching engineering limits for the thermal design of battery modules requires virtual prototyping and appropriate models with respect to physical depth and computational effort. A multi-scale and multi-domain model describes the electrochemical behavior of a single battery unit cell in 1D+1D at the level of intra-cell phenomena, and it applies a 3D thermal model at module level. Both models are connected within a common vehicle simulation platform. The models are discussed with special emphasis on battery degradation such as solid electrolyte interphase layer formation, decomposition and lithium plating. The performance of the electrochemical model is assessed by discharge cycles and repeated charge/discharge simulations. The thermal module model is compared to CFD reference data and studied with respect to its grid sensitivity.