Modeling of n-Heptane and Iso-Octane Oxidation in Air

Abstract

A simplified kinetic mechanism is presented for 1006 reactions involving 134 chemical species of that 23 include nitrogen atoms that describes the combustion of n-heptane, iso-octane, and their mixtures in air. The submechanism for the C 5 -C 8 species is directly derived from the earlier presented mechanisms for the combustion of methane, ethane, propane, and butane in air. The following experimental data taken from the literature and obtained by means of shock-tube experiments have been chosen to validate the mechanism: the pyrolysis of i-C 8 H 1 8 and the ignition delay times of mixtures of n-C 7 H 1 6 and i-C 8 H 1 8 with air, respectively. The comparisons have yielded good agreement for the initial temperature T 0 varying between 650 and 1200 K, the initial pressure P 0 ranging from 0.65 to 4.5 MPa, and the fuel-to-oxygen ratio Φ ranging from 0.5 to 2.