Zhou, L., Lu, Z., Ren, Z., Lu, T. et al., "Large Eddy Simulation of an n-Heptane Spray Flame with Dynamic Adaptive Chemistry under Different Oxygen Concentrations," SAE Int. J. Engines 8(2):447-454, 2015, doi:10.4271/2015-01-0400.
Detailed chemical kinetics is essential for accurate prediction of combustion performance as well as emissions in practical combustion engines. However, implementation of that is challenging. In this work, dynamic adaptive chemistry (DAC) is integrated into large eddy simulations (LES) of an n-heptane spray flame in a constant volume chamber (CVC) with realistic application conditions. DAC accelerates the time integration of the governing ordinary differential equations (ODEs) for chemical kinetics through the use of locally (spatially and temporally) valid skeletal mechanisms. Instantaneous flame structures and global combustion characteristics such as ignition delay time, flame lift-off length (LOL) and emissions are investigated to assess the effect of DAC on LES-DAC results. The study reveals that in LES-DAC simulations, the auto-ignition time and LOL obtain a well agreement with experiment data under different oxygen concentrations. The produced time of NOx induced by the high temperature and a certain equivalent ratio is close to the inflection point (increasing timing) of CO2 variation.