The growing use of ammonia-fueled engines has made removing nitrous oxide (N 2 O) from their exhaust a key research focus, as N 2 O, a potent greenhouse gas, undermines ammonia’s zero-carbon benefits. This study examines the development and results of a catalytic reaction model for N 2 O removal, focusing on iron-based catalysts, which show strong activity and stability. Among iron-based catalysts, carriers primarily include Beta and ZSM-5 molecular sieves. Through comparing catalytic efficiencies in standard SCR reactions, Fe/ZSM-5 is selected as the preferred catalyst. Using Chemkin software, a selective catalytic reduction (SCR) reaction kinetics model is built to analyze system chemistry, aiming to widen the active temperature window (200–800℃) and optimize N 2 O conversion for this catalyst. The model integrates NH 3 adsorption/desorption, NH 3 conversion, N 2 O reduction, nitrate decomposition, synergistic NH 3 –N 2 O reactions (standard, fast, side reactions), and by-product NO x dynamics, with real-time N 2 O emission monitoring. It investigates how factors influence outcomes. Post-processing combines 1D reaction mechanisms and 3D simulations to map velocity, temperature, pressure, and concentration fields. Comparisons between Fe/ZSM-5 experiments and simulations reveal high consistency, with errors within expected ranges under identical conditions. The model’s predictions provide critical data and reliability analysis for designing and optimizing catalytic reaction systems. Simulation and calculation of efficient catalytic removal of nitrogen dioxide from the exhaust gas of ammonia engines
Guan et al. (Mon,) studied this question.