Large eddy simulation of a reacting spray flame with multiple realizations under compression ignition engine conditions

An n-dodecane spray flame (Spray A from Engine Combustion Network) was simulated using a δ function combustion model along with a dynamic structure large eddy simulation (LES) model to evaluate its performance at engine-relevant conditions and to understand the transient behavior of this turbulent flame. The liquid spray was treated with a traditional Lagrangian method and the gas-phase reaction was modeled using a δ   function combustion model. A 103-species skeletal mechanism was used for the n-dodecane chemical kinetic model. Significantly different flame structures and ignition processes are observed for the LES compared to those of Reynolds-averaged Navier−−Stokes (RANS) predictions. The LES data suggests that the first ignition initiates in a lean mixture and propagates to a rich mixture, and the main ignition happens in the rich mixture, preferably less than 0.14 in mixture fraction space. LES was observed to have multiple ignition spots in the mixing layer simultaneously while the main ignition initiates in a clearly asymmetric fashion. The temporal flame development also indicates the flame stabilization mechanism is auto-ignition controlled. Soot predictions by LES present much better agreement with experiments compared to RANS, both qualitatively and quantitatively. Multiple realizations for LES were performed to understand the realization to realization variation and to establish best practices for ensemble-averaging diesel spray flames. The relevance index analysis suggests that an average of 5 and 6 realizations can reach 99% of similarity to the target average of 16 realizations on the mixture fraction and temperature fields, respectively. However, more realizations are necessary for the hydroxide (OH) and soot mass fractions due to their high fluctuations.