Detailed Modeling of PAH Profiles in a Sooting Low-Pressure Acetylene Flame

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Abstract
A detailed modeling study of the formation of polycyclic aromatic hydrocarbons in a burner-stabilized low-pressure sooting 23.6 % C2 H2-21.4% 02-Ar flame of Bockhorn and co-workers is reported. The model predicts the correct orders of magnitude and relative appearances of the concentration peaks, but overstates the decline of the species concentrations in the post-flame zone. Imprecise knowledge of the thermochemical data and unknown details of the oxidation of hydrocarbon radicals are the reasons identifed for the latter. The main reaction pathways for cyclization and growth of polycyclic aromatics and the results of the sensitivity tests are in close agreement with those of the previous modeling study of acetylene oxidation under shock-tube conditions. An additional factor that is important in the. flame environment is the diffusion of hydrogen atoms from the main reaction zone into a cooler preflame region