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In this study, reaction path analysis and modeling of NOx reduction phenomena by fast SCR reaction on a Cu-chabazite catalyst were conducted, considering the formation and decomposition of ammonium nitrate (NH4NO3). White crystals of NH4NO3 decompose at temperatures < 200 °C. Thus, the reaction behavior changes at 200 °C under fast SCR reaction conditions. NH4NO3 formation can occur on both Cu sites and Brønsted acid sites, which are active sites for NOx reduction in the Cu-chabazite catalyst, but it is unclear where NH4NO3 accumulates on the catalyst. Analyses using catalyst test pieces with different active sites were performed to estimate this accumulation. The results suggested that NH4NO3 accumulation does not depend on the presence of either Cu sites or Brønsted acid sites. Therefore, it is assumed that NH4NO3 can be accumulated everywhere on the catalyst, including on the zeolite framework. This phenomenon was included in the model as formation/accumulation sites S'.

As a result of WNTE regulations and the introduction of close-coupled aftertreatment systems, exhaust purification at high temperatures in commercial vehicles has become increasingly important in recent years. In this report, we improve the prediction accuracy for NOx conversion at high temperatures in the kinetic model of conventional Cu-selective catalytic reduction (Cu-SCR). Reaction rate analysis indicated that the rate of NH3 oxidation was extremely low compared to the rate of standard SCR. We found that NOx concentration-dependent NH3 oxidations (termed NOx-assisted NH3 oxidations) were key to the rate of NH3 oxidation. The output of the improved Cu-SCR kinetic model was in agreed with experimental results obtained from the synthetic gas bench and engine dynamometer bench. We analyzed the contribution of each reaction to NH3 consumption during Cu-SCR. Under NH3 + NO + O2, standard SCR was dominant at low temperature.