Kinetic modeling of formation of PAHs during hydrocarbon pyrolysis in gas carburizing conditions

Hydrocarbon pyrolysis in low-pressure gas carburizing conditions leads to the production of Polycyclic Aromatic Hydrocarbons (PAHs), which are toxic and even carcinogenic compounds. A detailed kinetic model was implemented to predict the formation of sixteen PAHs classified by the Environmental Protection Agency in the United States (US EPA). It was used to compare the pyrolysis of different reactants. Flux analyses were realized to highlight the main reaction pathways leading to PAHs. Experiments are in progress to allow a better validation of the model.