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Three-dimensional large eddy simulation (LES) has been conducted for a diesel spray flame using KIVALES which is LES version of KIVA code. Modified TAB model, velocity interpolation model and rigid sphere model are used to improve the prediction of the fuel-mixture process in the diesel spray. Combustion is simulated using the Eddy-Dissipation model. CIP method was incorporated into the KIVALES in order to suppress the numerical instability on the combustible flow. The formation of soot and NO was simulated using Hiroyasu model and KIVA original model. Three different grid resolutions were used to examine the grid dependency. The result shows that the LES approach with 0.5 mm grid size is able to resolve the instantaneous spray with the intermittency in the spray periphery, the axi-symmetric shape and meandering flow after the end of injection as shown in the experimental results.

In this study, a numerical experiment using a 2D convective equation and LES of an evaporative diesel spray for different convective schemes has been performed to examine effects of convective schemes on a fuel-air mixture formation of the diesel spray simulation and to determine the convective scheme used in KIVALES. In addition to KIVALES original schemes, such as QSOU, PDC and IDC, CIP was incorporated into KIVALES in order to calculate the convective terms with low numerical diffusion. The numerical experiment using the 2D convective equation showed that the numerical diffusion of CIP scheme was lowest in the convective schemes used in present study. However CIP scheme used was not a monotone scheme completely due to the overshoot and the undershoot of the scalar provided near the boundary. Hence, CIP scheme was employed for only the convective term of the LES momentum equation, while the other convective schemes were calculated using QSOU, which is a monotone scheme.

The compressible Large-Eddy Simulation (LES) for the diesel spray with OpenFOAM is presented to reduce CPU time by massively parallel computing of the scalar type supercomputer (CRAY XE6) and simulate the development of the non-evaporative and the evaporative spray. The maximum computational speeds are 14 times (128 cores) and 43 times (128 cores) for of the non-evaporative spray and the spray flame with one-step reaction, respectively, compared to the one core simulation. In the spray flame simulation with the reduced reaction mechanism (29 species, 52 reactions), the maximum computational speed is 149 times (512 cores). Then LES of the non-evaporative and the evaporative spray (Spray A) are calculated. The results indicate that the spray tip penetration is well predicted, although the size of the computational domain must be set equal to that of the experiment.