Modelling of a fuel-rich premixed propene-oxygen-argon flame and comparison with experiments

The chemical structure of a fuel-rich, non-sooting (C:O=0.773) premixed pro pene-oxygen-argon flame at 50 mbar was studied and compared with experiment al results. The chemical kinetic pathways leading to polycyclic aromatic hy drocarbons (PAHs) are identified. The reaction pathway for aromatic growth includes successive growth by small hydrocarbons, combinative reaction sequ ences and the cyclopentadienyl pathway. Additionally, the influence of expe rimental errors of the temperature profile, used as an input for the calcul ations, on the computed species concentrations is demonstrated. The model s hows satisfactory agreement with the measured results. Benzene was predicte d to be formed primarily by the recombination of propargyl. It was found th at the growth of aromatic compounds is caused mainly by the reaction of sid e-chains of the PAH with propargyl, the cyclopentadienyl pathway and combin ative steps, whereas the H abstraction C2H2 addition channel cannot account for the early reaction steps of PAH growth in the flame investigated here.