A modeling study of Polycyclic Aromatic Hydrocarbons (PAHs) formed during the pyrolysis of hydrocarbons - Application to low-pressure gas carburizing processes

Hydrocarbon pyrolysis in low-pressure gas carburizing conditions drives to gas phase reactions which lead to the production of Polycyclic Aromatic Hydrocarbons (PAHs). These PAHs are afterwards responsible for soot formation. A detailed kinetic model was implemented to predict the formation of sixteen PAHs considered as priority pollutants by the Environmental Protection Agency in the United States (US EPA). Some of them, such as benzo(a)pyrene, are carcinogens (cf. International Agency for Research on Cancer). The model was validated using experimental data from the literature. It was used to compare the pyrolysis of different reactants. Flux analyses were realized in order to determine the main reaction pathways leading to PAHs.