Detailed Chemical Kinetic Modelling of Aromatic Diesel Fuel Components

The ability to predict the inter-conversion of poly-aromatic hydrocarbons (PAHs) of different toxicities and emissions of fine carbon-based particles from Diesel engines are of increasing relevance given their harmful effects. The matter is complicated by the complexity of Diesel fuels and model fuel blends have to be used in numerical simulations of practical engines. The use of aromatic fuel component(-s) in such blends provides a route towards the modulation of the propensity of a fuel to produce such emissions provided the chemistry is sufficiently well understood. The current work extends past efforts related to the oxidation of 1-methyl naphthalene, which has been identified as a potential key component of surrogate Diesel fuels. Specifically, 1-methyl naphthalene may be used to modulate sooting tendencies and the methyl groups on aromatic rings (e.g. xylenes and tri-methyl benzenes) have also been identified as important in the context of fuel reactivity.