Numerical Analysis Selecting Chemical Mechanism of Ammonia–Hydrogen Mixture Laminar Burning Velocity by RMSE

Abstract This study employs Cantera code to investigate the laminar burning velocity of different ammonia–hydrogen mixtures. Suitable models were selected from recent literature, and the one with the lowest root mean square error (RMSE) against experimental data was identified through the error function method. Bao mechanism shows an RMSE value of 4.71 at atmospheric pressure for ammonia–hydrogen mixtures, while the Otomo mechanism exhibits an RMSE of 2.11 under high‐pressure conditions. Additionally, sensitivity analysis was conducted to highlight critical reactions within each mechanism, emphasizing distinctions between different pressures. This approach aims to choose the proper mechanism to reduce computational and experimental costs in the early stages of ammonia–hydrogen research.