Large eddy simulation of n-heptane spray combustion in partially premixed combustion regime with linear eddy model

Spray combustion of n-heptane in a constant-volume vessel under engine-relevant conditions was investigated using linear eddy model in the framework of large eddy simulation. In this numerical approach, turbulent mixing was traced by an innovative stochastic approach instead of the conventional gradient diffusion model. Chemical reaction rates were calculated with the consideration of the sub-grid scale spatial fluctuations of reactive scalars. Turbulence-chemistry interactions were represented by the separated treatments of the underlying processes including turbulent stirring, chemical reaction, and molecular diffusion. The model was validated against the experimental data of ignition delay times, chemiluminescence images, and soot images from Sandia National Laboratories. Numerical results showed that the ignition process changed from the temperature-controlled regime to the mixing-controlled regime as the initial ambient temperature increased from 800 K to 1000 K. The premixed flame and the diffusion flame coexisted, while the gross heat release rate was found to be dominated by the premixed flame. The temperature fluctuation was mainly observed around the spray jet due to the cooling effect of the fuel vaporization. The fluctuations were more significantly smoothed out by the high-temperature flame than the low-temperature flame. The mean temperature would be overpredicted if the sub-grid temperature fluctuation was neglected.