Detailed kinetic modeling of premixed benzene flames

Conference · Thu Dec 01 04:00:00 EST 1994 · Combustion and Flame; (United States)

OSTI ID:6556571

Lindstedt, R P; Skevis, G ^[1]

---

1. Imperial College of Science, Technology and Medicine, London (United Kingdom). Dept. of Mechanical Engineering

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[sub 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 C[sub 6]H[sub 6]/O[sub 2]/Ar flame. Excellent agreement is observed for major species and key intermediates. However, the C[sub 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 destruction occurs via linearization to C[sub 6] species and subsequent breakdown to the C[sub 3] and C[sub 4] 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.

• OSTI ID: 6556571
• Report Number(s): CONF-940711--
• Conference Information: Journal Name: Combustion and Flame; (United States) Journal Volume: 99:3-4
• Country of Publication: United States
• Language: English

Related Subjects

02 PETROLEUM
025000* -- Petroleum-- Combustion
AIR POLLUTION
AROMATICS
BENZENE
CHEMICAL REACTION KINETICS
CHEMICAL REACTION YIELD
COMBUSTION KINETICS
HYDROCARBONS
KINETICS
MATHEMATICAL MODELS
ORGANIC COMPOUNDS
POLLUTION
POLYCYCLIC AROMATIC HYDROCARBONS
REACTION KINETICS
SOOT
YIELDS