A compact kinetic reaction mechanism for the oxidation of NH3/H2 mixtures

Alnasif, A., Szanthoffer, A.G., Papp, M., Turanyi, T., Mashruk, S., Valera Medina, A. ORCID: https://orcid.org/0000-0003-1580-7133 and Nagy, T. 2025. A compact kinetic reaction mechanism for the oxidation of NH3/H2 mixtures. Presented at: 3rd Symposium on Ammonia Energy (SoAE), Shanghai, China, 23-26 September 2024. Journal of Ammonia Energy. Cardiff University Press, Item availability restricted.

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Abstract

To achieve zero carbon emissions, ammonia (NH3) has been considered a potential fuel for energy production. However, several challenges must be addressed to ensure its widespread use and safety. The current work focuses on developing a compact kinetic reaction mechanism that not only accurately predicts the flame chemistry of NH3/O2 and NH3/H2/O2 under various operational conditions but also ensures smooth applicability in Computational Fluid Dynamics (CFD) simulations, especially when turbulent flows are present in swirl burners or complex engine chamber conditions. Using code Optima++, we optimized the rate parameters of the San Diego NH3 mechanism (only 21 species) against large data collection of LBV data, and concentration data from JSR and burner-stabilized stagnation flame experiments to develop a compact, yet robust model for CFD simulations.

Item Type:	Conference or Workshop Item (Paper)
Status:	In Press
Schools:	Engineering
Publisher:	Cardiff University Press
ISSN:	2752-7735
Funders:	Mari-NH3, Al-Furat Al-Awsat Technical University (ATU), NKFIH FK134332, and K147024
Date of First Compliant Deposit:	2 December 2024
Date of Acceptance:	30 March 2025
Last Modified:	15 Jan 2025 17:30
URI:	https://orca.cardiff.ac.uk/id/eprint/174454

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