Engineering Commons^™

Chemical Kinetic Modeling Of A Methane Opposed-Flow Diffusion Flame And Comparison To Experiments, N. M. Marinov, W. J. Pitz, C. K. Westbrook, Andrew E. Lutz, A. M. Vincitore, S. M. Senkan

All Faculty Presentations - School of Engineering and Computer Science

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 …