NH3 mechanism (Version 2302, February 2023)

NH₃ mechanism (Version 2302, February 2023)

Detailed mechanism of NH₃ pyrolysis and oxidation. 

Kinetic mechanism (31 species, 203 reactions)

Thermodynamics

Transport properties

List of species

References

Stagni, A., Arunthanayothin, S., Dehue, M., Herbinet, O., Battin-Leclerc, F., Bréquigny, P., Mounaïm- Rousselle, C., & Faravelli, T., Low-and intermediate-temperature ammonia/hydrogen oxidation in a flow reactor: Experiments and a wide-range kinetic modeling. (2023) Chemical Engineering Journal, 471, 144577. DOI: 10.1016/j.cej.2023.144577

Stagni, A., Cavallotti, C., Arunthanayothin, S., Song, Y., Herbinet, O., Battin-Leclerc, F. & Faravelli, T., An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia. (2020) Reaction Chemistry & Engineering, 5, 696-711. DOI: 10.1039/C9RE00429G

Song, Y., Marrodán, L., Vin, N., Herbinet, O., Assaf, E., Fittschen, C., Stagni, A., Faravelli, T. & Battin-Leclerc, F., The sensitizing effects of NO₂ and NO on methane low temperature oxidation in a jet stirred reactor. (2019) Proceedings of the Combustion Institute, 37(1), 667-675. DOI: 10.1016/j.proci.2018.06.115