Toluene Primary Reference Fuels (TPRF) HT + LT + Alcohols + Ethers mechanism (Version 2003, March 2020) 

 

Kinetic mechanism (356 species, 10171 reactions)

Thermodynamics

Transport properties

List of species

 

How to cite it

Pelucchi, M., Cavallotti, Faravelli, T., Klippenstein, S.J., H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidation, Physical Chemistry Chemical Physics, 20, pp. 10607-10627 (2018), DOI: 10.1039/C7CP07779C

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

Pelucchi, M., Bissoli, M., Cavallotti, C., Cuoci, A., Faravelli, T., Frassoldati, A., Ranzi, E., Stagni, A.Improved Kinetic Model of the Low-Temperature Oxidation of n-Heptane, Energy Fuels, 28(11), pp. 7178-7193 (2014), DOI: 10.1021/ef501483f

Pelucchi, M., Cavallotti, C., Ranzi, E., Frassoldati, A., Faravelli, T., Relative Reactivity of Oxygenated Fuels: Alcohols, Aldehydes, Ketones, and Methyl Esters, Energy & Fuels, 30(10), pp. 8665-8679 (2016), DOI: 10.1021/acs.energyfuels.6b01171

 

References for ethers

Burke, Ultan, et al. "An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures", Combustion and flame 162(2) pp. 315-330 (2015)

Goldaniga, Alessandro, et al. "Oxidation of oxygenated octane improvers: MTBE, ETBE, DIPE, and TAME", Symposium (International) on Combustion 27(1), pp. 353-360 (1998)

 

References for alcohols

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

Frassoldati, Alessio, et al. "An experimental and kinetic modeling study of n-propanol and iso-propanol combustion." Combustion and Flame 157.1 (2010): 2-16.

Pelucchi, Matteo, et al. “Combustion of linear alcohols in rapid compression machine and jet stirred reactors: an experimental and kinetic modelling study.” in preparation

Grana, Roberto, et al. "An experimental and kinetic modeling study of combustion of isomers of butanol." Combustion and Flame 157.11 (2010): 2137-2154.

Pelucchi, Matteo, et al. "Relative reactivity of oxygenated fuels: alcohols, aldehydes, ketones, and methyl esters." Energy & Fuels 30.10 (2016): 8665-8679.

Pelucchi, Matteo, et al. “Combustion of linear alcohols in rapid compression machine and jet stirred reactors: an experimental and kinetic modelling study.”, In preparation

Nativel, D., et al. "Laminar flame speeds of pentanol isomers: An experimental and modeling study." Combustion and Flame 166 (2016): 1-18.

Pelucchi, Matteo, et al. “Combustion of linear alcohols in rapid compression machine and jet stirred reactors: an experimental and kinetic modelling study” In preparation

 

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