RT info:eu-repo/semantics/article T1 Predicting NOx emissions from ammonia engines – Fuel and thermal effects A1 Cova Bonillo, A. A1 Gabana Molina, Pedro A1 Khedkar, N. A1 Brinklow, G. A1 Wu, M. A1 Herreros, J.M. A1 Zeraati-Rezaei, S. A1 Tsolakis, A. A1 Ambalakatte, A. A1 Cairns, A. A1 Hall, J. K1 Ammonia K1 NOx K1 Prediction K1 Combustion K1 Engine K1 Kinetic mechanism AB Ammonia, a promising zero-carbon fuel, faces engine application challenges from high NOx and ammonia slip. A key knowledge gap remains in predicting NOx and ammonia slip with chemical kinetic mechanisms within complex engine environments, beyond simple metrics. This research evaluates 14 ammonia combustion mechanisms in a spark-ignition (SI) engine model, using a two-zone thermodynamic approach. Experimental data from stoichiometric pure ammonia combustion in a research engine validate NOx predictions. The analysis details NOx formation, NH3 slip, NO production rates, and differentiates thermal-NOx from fuel-NOx. While most mechanisms predict NOx within 20 % error, those by Otomo, Stagni, and Nakamura show superior accuracy. Furthermore, a significant divergence in N2O predictions was found; only the Konnov mechanism yielded plausible concentrations (14–24 ppm), exposing a common limitation in other models. This study identifies thermal-NOx as ∼75 % of total NOx, offering vital insights for targeted emission control and guiding mechanism selection for engine development. PB Elsevier SN 0360-3199 YR 2025 FD 2025 LK https://uvadoc.uva.es/handle/10324/79300 UL https://uvadoc.uva.es/handle/10324/79300 LA spa NO International Journal of Hydrogen Energy, Volume 187, 2025, 150734 NO Producción Científica DS UVaDOC RD 06-nov-2025