Detailed kinetic modelling of n-heptane combustion

A detailed chemical kinetic mechanism for the combustion of n-heptane has been assembled and validated for a wide range of combustion regimes. The latter includes counterflow diffusion dames, stirred reactors and premixed flames. Predictions of temperature, major and intermediate species profiles for counterflow diffusion flames show excellent agreement with experimental data. Furthermore, the agreement with experimental data obtained in stirred reactors is generally equal to, or better than, that previously reported in the literature. Finally, premixed burning velocities are also well predicted. The reaction mechanism features 659 elementary reactions and 109 species and is a unique attempt to develop a chemical kinetic mechanism applicable to both flames and stirred reactors.