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Diffusion and Reaction in Catalytic Monolith Washcoat - Modeling Approaches

Milos Marek1, Petr Koci1, Jan Stepanek1, Vladimir Novak1, and Milan Kubicek2. (1) Department of Chemical Engineering, Institute of Chemical Technology, Prague, Technicka 5, Prague, CZ16628, Czech Republic, (2) Department of Mathematics, Institute of Chemical Technology, Prague, Technicka 5, Prague, CZ16628, Czech Republic

To model properly the effects of varying washcoat thickness, distribution of noble metals and other catalyst components on ignition phenomena and conversion a detailed description of processes inside the catalytic washcoat layer is necessary. In this contribution we first discuss the spatially 2D (1D+1D) model of entire monolith with effective internal diffusion. Then we describe detailed, spatially 3D model using digital reconstruction of a section of porous catalytic washcoat on a micro- and nano-scale. We briefly describe suitable numerical procedures for solution of such models and coupling of the models on different levels. We illustrate the methodology on examples of oxidation catalyst and NOx storage & reduction catalyst.


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Web Page: www.vscht.cz/monolith