Modelling PAH curvature in laminar premixed flames using a detailed population balance model

EKY Yapp, CG Wells, Jethro Akroyd, Sebastian Mosbach, R Xu & Markus Kraft
© 2016 The Combustion Institute A detailed population balance model, which includes the kinetic Monte Carlo-aromatic site (KMC-ARS) model for detailed polycyclic aromatic hydrocarbon (PAH) growth, is used to compute the Gauss curvature of PAHs in laminar premixed ethylene and benzene flames. Previous studies have found that capping of an embedded 5-member ring causes curvature in graphene edges. In this work, a capping process is added to the KMC-ARS model with the rate coefficient of...
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