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A one-dimensional numerical model for a Cu-zeolite SCR catalyst has been developed. The model is based on kinetics developed from laboratory microreactor data for the various NH₃-NOX reactions, as well as for NH₃ oxidation. The kinetic scheme used is discussed and evidence for it presented. The model is capable of predicting the conversion of NO and NO₂, NH₃ slip and the formation of N₂O, as well as effects associated with NH₃ storage and desorption. To obtain a good prediction of catalyst temperature during cold start tests, it was found necessary to include storage and desorption of H₂O in the model; storage of H₂O is associated with a sizable exotherm and the subsequent desorption of this water produces a correspondingly large endotherm.

In recent years, ammonia slip catalysts (ASC) are being used downstream of an SCR system to minimize the ammonia slip. The dual-layer ASC is more attractive for its bi-functionality in reducing the ammonia and NOX emissions. It consists of two layers with the upper layer comprising a component with SCR functionality and the lower layer a PGM containing catalyst with oxidation functionality. Thus, both oxidation and SCR reactions take place in two different layers and are interlinked by the inter-layer mass transfer mechanism. In addition, adsorption and desorption kinetics between the gas and solid phases play a significant role. Mathematically, the overall system is a complex system of mass, momentum and energy transfer equations with temporal and spatial variables in both axial and radial directions. In this work, we focus on devising a suitable, computationally inexpensive model for such ASCs to be efficiently used for design, control and system optimization studies.