A kinetic modeling study of pollutant formation in premixed hydrocarbon flames

A kinetic modeling of pollutant formation in hydrocarbon flames is presented through analysis of hierarchical structures. Based on the newly released GRI-Mech 3.0, it was mainly taken from Dean and Bozzelli (DB) and Wang mechanism respectively for the nitrogen chemistry, the formation and growth of polycyclic aromatic hydrocarbons (PAH). The modeling was improved by considering C4 and Howard's PAH chemistry. The mechanism consists of 121 species in 731 reactions. Two premixed flame structures are predicted, and the computed results are compared with the experimental ones. It is shown that the mechanism predicts reasonably well the concentration profiles of major, key intermediate and minor species.