Detailed kinetic modeling of premixed benzene flames

✍ Scribed by R.P. Lindstedt; G. Skevis

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 638 KB
• Volume: 99
• Category: Article
• ISSN: 0010-2180
• DOI: 10.1016/0010-2180(94)90048-5

✦ Synopsis

A detailed kinetic mechanism capable of modeling aromatic ring breakdown in benzene flames has been developed through reaction path and systematic sensitivity analyses. The model incorporates benzene oxidation and pyrolysis steps, a C 5 chemistry submechanism and some novel features such as linearization reactions of cyclic and aromatic species. Model predictions are compared with the MBMS data of Bittner and Howard obtained in a rich, near-sooting, laminar premixed C6H6/O2/Ar flame. Excellent agreement is observed for major species and key intermediates. However, the C 5 chemistry is still tentative, though the influence of the uncertainties on the main reaction paths is small to moderate. It is shown that aromatic ring destruction occurs via linearization to C 6 species and subsequent breakdown to the C 3 and C a chains. It has been shown that a direct decomposition route for phenyl, or benzene, to propargyl leads to poor agreement with measurements. The present work provides a basis for further study of the formation of PAH in flames.