The CRECK Modeling Group

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NH3 mechanism (Version 2003, March 2020)

Detailed mechanism of NH3 pyrolysis and oxidation. 

 

Kinetic mechanism (31 species, 203 reactions)

Thermodynamics

Transport properties

List of species

 Graphical abstract: An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia

 

 

References

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