Microkinetic Modelling for Propane Oxidation in Channel Flows of a Silver-Based Automotive Catalytic Converter 2011-01-2094
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.
Citation: Sawatmongkhon, B., Tsolakis, A., York, A., and Theinnoi, K., "Microkinetic Modelling for Propane Oxidation in Channel Flows of a Silver-Based Automotive Catalytic Converter," SAE Technical Paper 2011-01-2094, 2011, https://doi.org/10.4271/2011-01-2094. Download Citation
Author(s):
Boonlue Sawatmongkhon, Athanasios Tsolakis, Andrew P. E. York, Kampanart Theinnoi
Affiliated:
University of Birmingham, Johnson Matthey Technology Centre, King Mongkut's University of Technology North Bangkok
Pages: 11
Event:
SAE International Powertrains, Fuels and Lubricants Meeting
ISSN:
0148-7191
e-ISSN:
2688-3627
Related Topics:
Computational fluid dynamics
Catalytic converters
Lean burn engines
Combustion and combustion processes
Corrosion
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