Development of an n-heptane-n-butanol-PAH mechanism and its application for combustion and soot prediction

A reduced chemical reaction mechanism was developed for modeling the combustion process and soot emissions for both non-oxygenated and oxygenated hydrocarbon fuels. A detailed poly-aromatic hydrocarbon (PAH) mechanism was reduced and embedded into a reduced n-heptane mechanism for describing the formation of PAH up to four rings (A4) and for soot prediction. A reduced n-butanol mechanism was combined with the n-heptane-PAH mechanism to...