Toluene Primary Reference Fuels (TPRF) + Alcohols + NOx mechanism (Version 2003, March 2020)
References
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
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
Alcohols mechanism
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
