C1-C3 + NOx mechanism (Version 2003, March 2020)


Kinetic mechanism (159 species, 2459 reactions)


Transport properties

List of species


NOx sub-mechanism

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


C1-C3 mechanism

Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels (2014) International Journal of Chemical Kinetics, 46 (9), pp. 512-542, DOI: 10.1002/kin.20867

Ranzi, E., Cavallotti, C., Cuoci, A., Frassoldati, A., Pelucchi, M., Faravelli, T., New reaction classes in the kinetic modeling of low temperature oxidation of n-alkanes (2015) Combustion and Flame, 162 (5), pp. 1679-1691, DOI: 10.1016/j.combustflame.2014.11.030

Bagheri, G., Ranzi, E., Pelucchi, M., Parente, A., Frassoldati, A., Faravelli, T., Comprehensive kinetic study of combustion technologies for low environmental impact: MILD and OXY-fuel combustion of methane (2020) Combustion and Flame 212, pp. 142-155, DOI: 10.1016/j.combustflame.2019.10.014


Other references

Kéromnès, Alan, et al. "An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures." Combustion and Flame 160.6 (2013): 995-1011

Metcalfe, Wayne K., et al. "A hierarchical and comparative kinetic modeling study of C1− C2 hydrocarbon and oxygenated fuels." International Journal of Chemical Kinetics 45.10 (2013): 638-675

Burke, Sinéad M., et al. "An experimental and modeling study of propene oxidation. Part 1: Speciation measurements in jet-stirred and flow reactors." Combustion and Flame 161.11 (2014): 2765-2784


Try the OpenSMOKE++ Suite

Do you need to simulate ideal reactors or laminar 1D flames? Why do not try the OpenSMOKE++ Suite from CRECK Modeling Lab? The OpenSMOKE++ Suite is a collection of standard solvers for modeling the typical systems of interest in developing and testing detailed kinetic mechanisms (including thousands of species and reactions).