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This study simulates soot formation processes in diesel combustion using a large eddy simulation (LES) model, based on a one-equation subgrid turbulent kinetic energy model. This approach was implemented in the KIVA4 code, and used to model diesel spray combustion within a constant volume chamber. The combustion model uses a direct integration approach with a fast explicit ordinary differential equation (ODE) solver, and is additionally parallelized using OpenMP. The soot mass production within each computation cell was determined using a phenomenological soot formation model developed by Waseda University. This model was combined with the LES code mentioned above, and included the following important steps: particle inception during which acenaphthylene (A2R5) grows irreversibly to form soot; surface growth with driven by reactions with C2H2; surface oxidation by OH radical and O2 attack; and particle coagulation.

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.

The objective of the present research was to analyze the effects of using oxygenated fuels (FAMEs or biodiesel fuels) on injected fuel spray and soot formation. A 3-D numerical study which using the KIVA-3V code with modified chemical and physical models was conducted. The large-eddy simulation (LES) model and KH-RT model were used to simulate fuel spray characteristics. To predict soot formation processes, a model for predicting gas-phase polycyclic aromatic hydrocarbons (PAHs) precursor formation was coupled with a detailed phenomenological particle formation model that included soot nucleation from the precursors, surface growth/oxidation and particle coagulation. The calculated liquid spray penetration results for all fuels agreed well with the measured data. The spray measurements were conducted using a constant volume chamber (CVC), which can simulate the ambient temperature and density under real engine conditions.

As the petroleum depletion, some of this demand will probably have to be met by increasing the production of diesel fuels from heavy oil or unconventional oil in the near future. Such fuels may inevitably have a lower cetane number (CN) with a higher concentration of aromatic components. The objective of the present research is to identify the effects of a typical biodiesel fuel as a CN improver for a light-duty diesel engine for passenger cars. Our previous study indicates that methyl oleate (MO), which is an oxygenated fuel representative of major constituents of many biodiesel types, can reduce soot and NOx emissions simultaneously by optimizing performance under exhaust gas recirculation (EGR) when used as a diesel fuel additive. In addition, it was found that MO tends to reduce the ignition delay. We employed a 2.2 L passenger car DI diesel engine complying with the Euro 4 emissions regulation.