Document Type
Conference Proceeding
Department
Mechanical Engineering
Conference Title
Symposium (International) on Combustion
Date of Presentation
1-1-1998
Abstract
The chemical structure of an opposed-flow, methane diffusion flame is studied using a chemical kinetic model and the results are compared with experimental measurements. The chemical kinetic paths leading to aromatics and polycyclic aromatics hydrocarbons (PAHs) in the diffusion flame are identified. These paths all involve resonantly stabilized radicals that include propargyl, allyl, cyclopentadienyl, and benzyl radicals. The modeling results show reasonable agreement with the experimental measurements for the large hydrocarbon aliphatic compounds, aromatics, two-ring PAHs, and three-ring PAHs, but not for four-ring PAHs. The benzene was predicted to be formed primarily by the reaction sequence of Allyl + Propargyl ↔ Fulvene + H + H followed by fulvene isomerization to benzene. Naphthalene was modeled using the reaction of benzyl with propargyl, whereas the combination of cyclopentadienyl radicals were predicted to be a minor contributor in the opposed-flow, methane diffusion flame. This work demonstrates that there are multipathways to aromatic and PAH formation whose role is dependent on the type of flame (premixed or diffusion) and type of hydrocarbon fuel.
ISSN
0082-0784
Volume
27
Issue
1
First Page
605
Last Page
613
DOI
10.1016/S0082-0784(98)80452-9
Recommended Citation
Marinov, N. M.,
Pitz, W. J.,
Westbrook, C. K.,
Lutz, A. E.,
Vincitore, A. M.,
&
Senkan, S. M.
(1998).
Chemical kinetic modeling of a methane opposed-flow diffusion flame and comparison to experiments.
Paper presented at Symposium (International) on Combustion.
https://scholarlycommons.pacific.edu/soecs-facpres/594
