Generalizable global kinetic model for catalyst synthesis–structure–activity relationships: Application to <scp> C ₃ H ₆ </scp> ‐ <scp>SCR</scp> of <scp>NO</scp> <i> _<i>x</i> </i>

Abstract The detrimental impacts of nitrogen oxides (NO x ) on health and the environment necessitates their selective catalytic reduction. Among many catalysts, Ag/γ‐Al 2 O 3 shows promise for effective NO x reduction. However, its formulation varies in terms of preparation protocols, which influence the structural, morphological, and textural properties of Ag/γ‐Al 2 O 3 catalyst and ultimately impact the catalytic performance. In this work, an inclusive crucial parameter that represents the loading of Ag atoms per given area (nm 2 ) of the catalyst surface—silver surface density ( σ Ag ) is introduced and incorporated into a kinetic model in order to account for these catalyst properties influential factors. By mathematically formulating the sensitive rate constants based on σ Ag , a simplified global kinetic model is developed that successfully validates NO x conversions for large datasets of literature. The proposed model captures experiments covering diverse catalyst preparation methods for Ag/γ‐Al 2 O 3 (impregnation and sol–gel) and Ag loadings (2–6 wt.%). It applies well to various reactor operating conditions, including various inlet feed concentrations, flow rates, space velocities, and catalyst amounts. The developed kinetic model is identified the optimal σ Ag value to 1.0, which is an important parameter for the catalyst design. The model prediction of NO x conversions reached 99%, and more than 70% NO x conversion is observed over a broader activity temperature window ranging from 350 to 600°C, under the estimated optimal reaction conditions. Therefore, this model, along with its versatile applicability, provides deep insights into catalyst synthesis–structure–activity relationships and delivers practical understandings for improved NO x reduction in exhaust gases in automotive applications.