Mechanism Comparison for PAH Formation in Pyrolysis and Laminar Premixed Flames

Abstract

Polycyclic aromatic hydrocarbons (PAHs) are known precursors of harmful carbonaceous particles. Accurate predictions of soot formations strongly rely on accurate predictions of PAHs chemistry. This work addresses the detailed kinetic modeling of PAH formation using two models: CRECK [8] and ITV [12], aiming to compare the model predictions with experimental data in olefin pyrolysis and laminar premixed flames. The two kinetic mechanisms are validated and compared highlighting similarities and differences in PAHs formation pathways. The validation highlights the critical role of resonance-stabilized radicals leading to the PAH formation