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 Amoníaco K1 NOx K1 Predicción K1 Combustión K1 Motor K1 Mecanismo cinético 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 eng NO International Journal of Hydrogen Energy, Volume 187, 2025, 150734 NO Producción Científica DS UVaDOC RD 18-dic-2025