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- Title
Unified kinetic model of soot formation in the pyrolysis and oxidation of aliphatic and aromatic hydrocarbons in shock waves.
- Authors
Agafonov, G.; Bilera, I.; Vlasov, P.; Zhil'tsova, I.; Kolbanovskii, Yu.; Smirnov, V.; Tereza, A.
- Abstract
The formation of soot particles in the pyrolysis and oxidation of various aromatic and aliphatic hydrocarbons in argon behind reflected shock waves has been investigated by computational and theoretical methods. The hydrocarbons examined include methane, ethane, propane (aliphatic hydrocarbons with ordinary bonds), acetylene, ethylene, propylene (aliphatic hydrocarbons with multiple bonds), benzene, toluene, and ethylbenzene (simplest aromatic hydrocarbons). Soot formation in the pyrolysis and oxidation of both aromatic and aliphatic hydrocarbons can be simulated in detail within a unified kinetic model. The predictive power of the unified kinetic model has been verified by directly comparing the calculated kinetic data for the formation of products and reactive radicals in the pyrolysis and oxidation of various hydrocarbons to the corresponding experimental data. In all calculations, all the kinetic parameters of the unified kinetic model were strictly fixed. A good quantitative fit between the data calculated via the unified kinetic model and experimental data has been attained.
- Subjects
PYROLYSIS; OXIDATION kinetics; AROMATIC compounds; ALIPHATIC compounds; SHOCK waves; METHANE
- Publication
Kinetics & Catalysis, 2016, Vol 57, Issue 5, p557
- ISSN
0023-1584
- Publication type
Article
- DOI
10.1134/S0023158416050013