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

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