Numerical Simulations of the flow field and chemical reactions of the Storage/Oxidation process within a NSC Pt - BaO Catalyst

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Abstract

A NOx Storage Catalyst (NSC) has been studied by means of reactive CFD simulations. In the scenario of automotive pollutant emission reduction, due to the stringent regulation, the detailed description of the chemical and physical phenomena within catalysts represents a key point in order to improve their conversion efficiency. The active part of the catalyst has been simulated as a porous medium. In this zone, surface reactions take place, which are modelled by means of an Arrhenius chemical kinetic approach, involving the Pt and BaO sites on the active surface of the matrix. Actually, two chemical mechanisms are considered, the simplest involves only BaO site, the other one includes both BaO and Ptsites. Both models are validated against data available in the literature and then applied to a real automotive catalyst geometry. Thus, a detailed description of the spatial distribution of the species is provided for both models. Lean condition is simulated in order to check the catalyst behaviour according to experimental results.

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Fornarelli, F., Dadduzio, R., Torresi, M., Mario Camporeale, S., & Fortunato, B. (2017). Numerical Simulations of the flow field and chemical reactions of the Storage/Oxidation process within a NSC Pt - BaO Catalyst. In Energy Procedia (Vol. 126, pp. 1043–1050). Elsevier Ltd. https://doi.org/10.1016/j.egypro.2017.08.311

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