C1-C16 HT + LT + Methyl-Esters mechanism (Version 2003, March 2020)

 

Kinetic mechanism (582 species, 21174 reactions)

Thermodynamics

Transport properties

List of species

 

How to cite it

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

Saggese, C., Frassoldati, A., Cuoci, A., Faravelli, T., Ranzi, E., A lumped approach to the kinetic modeling of pyrolysis and combustion of biodiesel fuels, Proceedings of the Combustion Institute, 34(1), pp. 427-434 (2013), DOI: 10.1016/j.proci.2012.05.020

 

References for methyl-esters

Grana, Roberto, et al. "A wide range kinetic modeling study of pyrolysis and oxidation of methyl butanoate and methyl decanoate. Note I: Lumped kinetic model of methyl butanoate and small methyl esters." Energy 43.1 (2012): 124-139.

Grana, Roberto, et al. "A wide range kinetic modeling study of pyrolysis and oxidation of methyl butanoate and methyl decanoate–Note II: Lumped kinetic model of decomposition and combustion of methyl esters up to methyl decanoate." Combustion and Flame 159.7 (2012): 2280-2294.

Rodriguez, Anne, et al. "Experimental and modeling investigation of the effect of the unsaturation degree on the gas-phase oxidation of fatty acid methyl esters found in biodiesel fuels." Combustion and Flame 164 (2016): 346-362.

 

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

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