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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.

To facilitate research and development of diesel engines, the universal numerical code for predicting diesel combustion has been favored for the past decade. In this paper, the finite-rate elementary chemical reactions, sometimes called the detailed chemical reactions, are introduced into the KIVA-3V code through the use of the Partially Stirred Reactor (PaSR) model with the KH-RT break-up, modified collision and velocity interpolation models. Outcomes were such that the predicted pressure histories have favorable agreements with the measurements of single and double injection cases in the diesel engine for use in passenger cars. Thus, it is demonstrated that the present model will be a useful tool for predicting ignition and combustion characteristics encountered in the cylinder.

Experimental and numerical studies on PAHs (Polycyclic Aromatic Hydrocarbons) and PM (Particulate Matters) formed in the fuel rich mixture have been conducted. In the experiment, neat n-heptane and n-heptane with benzene 25 % by weight were chosen as test fuels. In-cylinder gases produced by the fuel-rich HCCI (Homogeneous Charge Compression Ignition) combustion were directly sampled and analyzed by the use of GC/MS (Gas Chromatograph/Mass Spectro- metry), and PM emission was also measured by PM sampling system to reveal characteristics of PM formation. Numerical study has been also carried out using a zero dimensional combustion model combined with detailed chemistry. Furthermore, simple surface growth of soot particles was integrated into a detailed chemical kinetic model, and validated with the experimental data.

A numerical study was carried out to investigate auto-ignition characteristics during HCCI predicted by using zero and multi-dimensional models combined with detailed kinetics including 116 chemical species and 689 elementary reactions involving iso-octane. In the simulation, homogeneous charge compression ignition of the fuel was analyzed under the same conditions as encountered in internal combustion engines. The results elucidated the combustible region and oxidation process of iso-octane with the formation and destruction of various chemical species in the cylinder.

A CFD code combined with detailed chemical kinetics has been developed, linking with KIVA-3 and subroutines in CHEMKIN-II directly with some modifications. By using this CFD code, formation processes of combustion and exhaust gas emission for a turbo-charged DI diesel engine with common rail fuel injection system were simulated. As a result, formation processes of pollutant including NOx and soot were also considered according to the calculation results. The results show that NO caused by the extended Zeldvich mechanism accounted for about 88% of all NO, and it was found that there is a possibility to predict where and when soot will be formed by considering a simplified soot formation model.

Experimental and numerical studies are conducted on the formation of soot and Polycyclic Aromatic Hydrocarbons (PAHs), regarded as precursors of soot, during the combustion of fuel-rich homogeneous n-heptane mixtures. In-cylinder gases are sampled directly through a high-speed solenoid valve in engine tests, to be analyzed by GC/MS for qualifying PAHs. Smoke concentration is also measured. A numerical study is carried out by using a zero-dimensional model combined with detailed chemical kinetics. The experiments and computations show that PAHs can be predicted qualitatively by means of the present kinetic model.

Fuel temperature in the injector of small direct injection gasoline engine is high. On some conditions it is higher than saturated temperature. Over saturated temperature spray characteristics greatly change. In order to predict in-cylinder phenomena accurately, it is important to understand spray behavior and mixture process above saturated temperature. Therefore spray shape, mixture formation process and Sauter mean radius were (SMR) measured in a constant volume chamber. And based on the measurement result initial spray boundary conditions were arranged so that spray characteristics over saturated temperature could be represented by using CFD code KIVA-3[1]. Moreover KIVA-3 code was combined with detailed chemical kinetics code Chemkin II to predict combustion products. [2] Calculated combustion process was validated with visualization of chemiluminescence. As a result, spray shape and penetration length have good agreement with measured ones for each fuel temperature.