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Simulation of the catalytic oxidation of soot

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Abstract

Soot oxidation by supported metal nanoparticles is simulated by using the Monte Carlo technique. The coarse-grained lattice model proposed for this process describes the deposition, diffusion, aggregation and reaction of carbon nanoparticles. Each carbon or catalyst nanoparticle is assumed to occupy a single site of a 3D cubic lattice. With increasing deposition rate (or decreasing reaction rate), the model predicts a transition from the steady state with a submonolayer of soot to the growth of mesoscopic 3D carbon agglomerates. In these cases, the reaction rate is, respectively, close to and lower than the deposition rate.

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Acknowledgements

The Competence Centre for Catalysis is hosted by Chalmers University of Technology and financially supported by the Swedish Energy Agency and the member companies AB Volvo, Volvo Car Corporation, Scania CV AB, GM Powertrain Sweden AB, Haldor Topsøe A/S, and the Swedish Space Agency.

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Authors and Affiliations

  1. Competence Centre for Catalysis and Department of Applied Physics, Chalmers University of Technology, 41296, Göteborg, Sweden

    Vladimir P. Zhdanov

  2. Boreskov Institute of Catalysis, Russian Academy of Sciences, Novosibirsk, 630090, Russia

    Vladimir P. Zhdanov & Vladimir P. Zhdanov

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  1. Vladimir P. Zhdanov
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Correspondence to Vladimir P. Zhdanov.

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Zhdanov, V.P. Simulation of the catalytic oxidation of soot. Reac Kinet Mech Cat 108, 41–49 (2013). https://doi.org/10.1007/s11144-012-0501-x

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  • DOI: https://doi.org/10.1007/s11144-012-0501-x

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