Computational Fluid Dynamics (CFD) is used to simulate chemical reactions and transport phenomena occurring in a single channel of a honeycomb-type automotive catalytic converter under lean burn combustion. Microkinetic analysis is adopted to develop a detailed elementary reaction mechanism for propane oxidation on a silver catalyst. Activation energies are calculated based on the theory of the Unity Bond Index-Quadratic Exponential Potential (UBI-QEP) method. The order-of-magnitude of the pre-exponential factors is obtained from Transition State Theory (TST). Sensitivity analysis is applied to identify the important elementary steps and refine the pre-exponential factors of these reactions. These pre-exponential factors depend on inlet temperatures and propane concentration; therefore optimised pre-exponential factors are written in polynomial forms. The results of numerical simulations are validated by comparison with experimental data.


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    Titel :

    Microkinetic Modelling for Propane Oxidation in Channel Flows of a Silver-Based Automotive Catalytic Converter


    Weitere Titelangaben:

    Sae Technical Papers


    Beteiligte:

    Kongress:

    SAE International Powertrains, Fuels and Lubricants Meeting ; 2011



    Erscheinungsdatum :

    30.08.2011




    Medientyp :

    Aufsatz (Konferenz)


    Format :

    Print


    Sprache :

    Englisch




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