A Semi-Empirical Reaction Mechanism for n-Heptane Oxidation and Pyrolysis

A new semi-empirical mechanism for n-heptane oxidation and pyrolysis has been developed and validated against several independent data sets, including new flow reactor experiments. Previous semi-empirical chemical kinetic mechanisms assumed that a generic n-alkyl radical, formed by abstraction of an H-atom from the parent fuel, thermally decomposes into a fixed ratio of methyl and propene. While such an approach has been reasonably successful in...