Detailed kinetic modeling of C{sub 1}--C{sub 3} alkane diffusion flames

Journal Article · Sat Jul 01 04:00:00 EDT 1995 · Combustion and Flame

DOI:https://doi.org/10.1016/0010-2180(94)00254-P· OSTI ID:89632

Leung, K M; Lindstedt, R P ^[1]

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

A study of detailed chemical kinetics in coflow and counterflow diffusion flames is presented. The chemistry of diffusion flames is of fundamental importance from a practical as well as a mechanistic viewpoint. The present study uses systematic reaction path flow and sensitivity analyses to determine the crucial reaction paths in methane and propane diffusion flames. The formation of benzene and intermediate hydrocarbons via C{sub 3} and C{sub 4} species has been given particular attention and the relative importance of reaction channels has been assessed. The developed mechanism considers singlet and triplet CH{sub 2}, isomers of C{sub 3}H{sub 4}, C{sub 3}H{sub 5}, C{sub 4}H{sub 3}, C{sub 4}H{sub 5} and C{sub 4}H{sub 6}. Computational results show that benzene in methane-air diffusion flames is formed mainly via reactions involving propargyl radicals and that reaction paths via C{sub 4} species are insignificant. It is also shown that uncertainties in thermodynamic data may significantly influence predictions and that the reaction of acetylene with the hydroxyl radical to produce ketene may be an important consumption path for acetylene in diffusion flames. Quantitative agreement has been achieved between computational results and experimental measurements of major and minor species profiles, including benzene, in methane-air and propane-air flames. It is also shown that the mechanism correctly predicts laminar burning velocities for stoichiometric C{sub 1}--C{sub 3} flames. Finally, results for a two-dimensional methane-air flame on a Wolfhard-Parker burner obtained with full detailed chemistry are presented along with flamelet computations and the accuracy of the latter are discussed.

• OSTI ID: 89632
• Journal Information: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: 1-2 Vol. 102; ISSN CBFMAO; ISSN 0010-2180
• Country of Publication: United States
• Language: English

Related Subjects

03 NATURAL GAS
COMBUSTION KINETICS
FLAME PROPAGATION
FLAMES
GAS ANALYSIS
KINETIC EQUATIONS
MATHEMATICAL MODELS
METHANE
MOLECULAR WEIGHT
NATURAL GAS
PROPANE
REACTION INTERMEDIATES
TWO-DIMENSIONAL CALCULATIONS