Toluene Primary Reference Fuels (TPRF) HT + LT + Alcohols + Ethers mechanism (Version 2003, March 2020)
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- 107 KINETIC MECHANISM
- CRECK_2003_TPRF_HT_LT_ALC_ETHERS
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