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A mixed time-scale subgrid large eddy simulation was used to simulate mixture formation, combustion and soot formation under the influence of turbulence during diesel engine combustion. To account for the effects of engine wall heat transfer on combustion, the KIVA code's standard wall model was replaced to accommodate more realistic boundary conditions. This were carried out by implementing the non-isothermal wall model of Angelberger et al. with modifications and incorporating the log law from Pope's method to account for the wall surface roughness. Soot and NOx emissions predicted with the new model are compared to experimental data acquired under various EGR conditions.

The objective of the present study is to analyze soot formation in diesel engine combustion by using multi-dimensional combustion simulations with a parallelized explicit ODE solver. Parallelized CHEMEQ2 was used to perform detailed chemical kinetics in KIVA-4 code. CHEMEQ2 is an explicit stiff ODE solver developed by Mott et al. which is known to be faster than traditional implicit ODE solvers, e.g., DVODE. In the present study, about eight times faster computation was achieved with CHEMEQ2 compared to DVODE when using a single thread. Further, by parallelizing CHEMEQ2 using OpenMP, the simulations could be run not only on calculation servers but also on desktop machines. The computation time decreases with the number of threads used. The parallelized CHEMEQ2 enabled combustion and emission characteristics, including detailed soot formation processes, to be predicted using KIVA-4 code with detailed chemical kinetics without the need for reducing the reaction mechanism.