Kinetic mechanism with 452 species and 24041 reactions for C1-C16 high temperature (HT) and soot.
To cite the mechanism refer to the following publications:
- 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.DOI
- 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.DOI
- Bagheri, Ghobad, et al. "Comprehensive kinetic study of combustion technologies for low environmental impact: MILD and OXY-fuel combustion of methane." Combustion and flame 212 (2020): 142-155.DOI
- Ranzi, Eliseo, et al. "Reduced kinetic schemes of complex reaction systems: fossil and biomass-derived transportation fuels." International Journal of Chemical Kinetics 46.9 (2014): 512-542.DOI
- Ranzi, Eliseo et al. "Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels." Progress in Energy and Combustion Science 38.4 (2012): 468-501.DOI
- Pelucchi, Matteo, et al. "Improved kinetic model of the low-temperature oxidation of n-heptane." Energy & fuels 28.11 (2014): 7178-7193. DOI
- Pelucchi, Matteo, et al. "H-Abstraction reactions by OH, HO 2, O, O 2 and benzyl radical addition to O 2 and their implications for kinetic modelling of toluene oxidation." Physical Chemistry Chemical Physics 20.16 (2018): 10607-10627. DOI
- Maffei, Luna Pratali, et al. "Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: A systematic theoretical investigation." Combustion and Flame 257 (2023): 112421.DOI
- Maffei, Luna Pratali, et al. "Theoretical study of sensitive reactions in phenol decomposition." Reaction Chemistry & Engineering 5.3 (2020): 452-472.DOI
- Maffei, Luna Pratali, et al. "Theoretical kinetics of HO2+ C5H5: A missing piece in cyclopentadienyl radical oxidation reactions." Proceedings of the Combustion Institute 39.1 (2023): 695-703.DOI
- Maffei, Luna Pratali, et al. "Electronic structure-based rate rules for ? ipso addition–elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH 3/OCH 3/CHO/C 2 H 5 substituents: a systematic theoretical investigation." Physical Chemistry Chemical Physics 22.36 (2020): 20368-20387.DOI
- Pelucchi, Matteo, et al. "Detailed kinetics of substituted phenolic species in pyrolysis bio-oils." Reaction Chemistry & Engineering 4.3 (2019): 490-506. DOI
- Ranzi, Eliseo, et al. "Reduced kinetic schemes of complex reaction systems: fossil and biomass-derived transportation fuels." International Journal of Chemical Kinetics 46.9 (2014): 512-542.DOI
- **Ranzi, Eliseo et al. "Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels." Progress in Energy and Combustion Science 38.4 (2012): 468-501.DOI
- Pejpichestakul, Warumporn, et al. "Examination of a soot model in premixed laminar flames at fuel-rich conditions." Proceedings of the Combustion Institute 37.1 (2019): 1013-1021. DOI
- Pejpichestakul, Warumporn, et al. "Buoyancy effect in sooting laminar premixed ethylene flame." Combustion and Flame 205 (2019): 135-146. DOI