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Fluid flow, temperature prediction, thermal response and light-off behavior of the catalytic converter were investigated using Computational Fluid Dynamics (CFD), combined with a conjugate heat transfer and a chemical reaction model. There are two objectives in this study: one to predict the maximum operation temperature for appropriate materials selection; and the other, to develop a numerical model which can be adjusted to reflect changes in the catalyst/washcoat formulation to accurately predict effects on the flow, temperature and light-off behavior. Temperature distributions were calculated for exhaust gas, catalyzed substrate, mounting mat and converter skin. Converter shell skin temperature was obtained for different mat materials. By changing reactant mass concentrations and noble metal loading, the converter light-off behavior, thermal response and temperature distributions were changed.