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Urea-SCR(selective catalytic reduction) system is widely used as a technology of NOx(Nitrogen Oxides) reduction from diesel engine exhaust gases. Emission regulations have becoming stricter all over the world, and high NOx reduction performance is necessary to meet the emission regulations. To get higher NOx reduction performance of the Urea-SCR system, it is important to understand detailed chemical reaction mechanisms of Urea-SCR catalysts. In this study, we focused on elucidation of the reaction mechanism of the Urea-SCR catalyst by numerical simulation approach. The chemical reaction models with detail chemical reactions were built for both Fe-catalyst and Cu-catalyst. Both of the catalytic reaction models can predict difference of the catalytic reaction performance between the Fe-catalyst and the Cu-catalyst. In addition, rate-determining reaction step of the Cu-catalyst was successfully identified by the numerical simulation results.