Direct numerical simulations of HCCI/SACI with ethanol

Two and three dimensional direct numerical simulations (DNS) of an autoignitive premixture of air and ethanol in Homogeneous Charge Compression Ignition (HCCI) mode have been conducted. A special feature of these simulations is the use of compression heating through mass source/sink terms to emulate the compression and expansion due to piston motion. Furthermore, combustion phasing is adjusted such that peak heat release occurs after Top Dead Center (TDC) during the expansion stroke, as in a real engine. Zero dimensional simulations were first conducted to identify important parameters for the higher dimensional simulations. They showed that for ethanol, temperature and dilution are the parameters the problem is most sensitive to. One set of two dimensional simulations were conducted with a uniform mixture composition and different levels of temperature stratification, both with and without compression heating. Another set of simulations varied the mixture stratification with constant temperature stratification. Both sets showed considerable differences in ignition delay, heat release and peak temperature and peak pressure. Compression heating was also found to have a significant effect on the heat release profile. A three dimensional simulation was conducted for Spark-Assisted HCCI (SACI). It was initiated with a small spark kernel, which evolved into a premixed flame. The entire mixture eventually underwent autoignition. Distance function based analysis showed a strongly attenuating flame. Analysis of scalar mixing frequencies shows that differential diffusion and reaction induced mixing play an important role in predicting the mixing of reactive scalars. This has significant implications for mixing models for reactive flows. Chemical explosive mode analysis (CEMA) was applied to the 3D simulation and showed promise in identifying the transition from flame propagation to autoignition.