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A numerical model for a diesel oxidation catalyst (DOC) is presented. It is based on a spatially 1D, physical and chemically based modeling of the relevant processes within the catalytic monolith. A global reaction kinetic approach has been chosen to describe the chemical reactions. Water condensation and evaporation was also considered, in order to predict the cold start behavior. Reaction kinetic parameters have been evaluated from a series of laboratory experiments. A correlation between the kinetic parameters and the noble metal loading was developed. The model was used in combination with a SCR-Model to study the influence of changes of noble metal loading and DOC volume on the overall transient NOx performance of a DOC+DPF+SCR system.

To fulfill future emission standards for diesel engines, combined after-treatment systems consisting of different catalyst technologies and diesel particulate filters (DPF) are necessary. For designing and optimizing the resulting systems of considerable complexity, effective simulation models of different catalyst and DPF technologies have been developed and integrated into a common simulation environment called ExACT (Exhaust After-treatment Components Toolbox). This publication focuses on a model for the NOx storage and reduction catalyst as a part of that simulation environment. A heterogeneous, spatially one-dimensional (1D), physically and chemically based mathematical model of the catalytic monolith has been developed. A global reaction kinetic approach has been chosen to describe reaction conversions on the washcoat. Reaction kinetic parameters have been evaluated from a series of laboratory experiments.

Selective NOx recirculation (SNR), involving adsorption, selective external recirculation and decomposition of the NOx by the combustion process, is itself a promising technique to abate NOx emissions. Three types of materials containing Ba: barium aluminate, barium tin perovskite and barium Y-zeolites have been developed to adsorb NOx under lean-burn or Diesel conditions, with or without the presence of S02. All these materials adsorb NO2 selectively (lean-burn conditions), and store it as nitrate/nitrite species. The desorption takes place by decomposition of these species at higher temperatures. Nitrate formation implies also sulfate formation in the presence of SO2 and SO3, while the NO2/SO2 competition governs the poisoning of such catalysts.