Numerical analysis of effect of intermediate species diffusion on low temperature oxidation process in a homogeneous n-heptane mixture

A two-dimensional direct numerical simulation (DNS) was applied to investigate the autoignition process of an n-heptane/air mixture. The diffusion of intermediate species was studied in terms of the influence on the ignition delay period and the chemical reaction process. A simplified reaction mechanism was used in this study. The influence of turbulence was investigated by comparing the results of a zero-dimensional simulation and two-dimensional direct simulation of a non-turbulence condition. It was found that the ignition delay period was strongly affected by the different diffusion rates of intermediate species. It was shown that the outflow of OH radicals having a larger diffusion coefficient reduces the reaction rate at the high temperature point. In contrast, the reaction rate was enhanced by the influx of OH radicals at the low temperature point.