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This paper presents a 3-D CFD modelling of flow and heterogeneous reactions in catalytic converters. The pressure and velocity fields in the catalytic converters are calculated by the state of the art modelling technique for the flow resistance of catalyst substrate. A surface reaction model is applied to predict the performance of a three-way Pt/Rh catalyst. A reaction mechanism with detailed catalytic surface reactions for the 3-way catalyst is applied. The novelty of this approach is the use of a surface chemistry solver coupled with a 3-D CFD code in the entire computational domain of the catalyst substrate that allows flow distribution for complex configurations to be accounted for. The concentrations of the gas species and the site species are obtained. A comparison between the simulation results and the experimental data of a three-way catalyst was made.

The LEV II and EURO V legislation in 2007/2008 require a high conversion level for nitrogen oxides to meet the emission levels for diesel SUVs and trucks. Therefore, U.S. and European truck manufacturers are considering the introduction of urea SCR systems no later than model year 2005. The current SCR catalysts are based mainly on systems derived from stationary power plant applications. Therefore, improved washcoat based monolith catalysts were developed using standard types of formulations. These catalysts achieved high conversion levels similar to extruded systems in passenger car and truck test cycles. However, to meet further tightening of standards, a new class of catalysts was developed. These advanced type of catalytic coatings proved to be equivalent or even better than standard washcoat formulations. Results will be shown from ESC, MVEG and US-FTP 75 tests to illustrate the progress in catalyst design for urea SCR.