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A study was performed that takes into account both turbulence and chemical kinetic effects in the numerical simulation of diesel engine combustion in order to better understand the importance of their respective roles at changing operating conditions. An approach was developed which combines the simplicity and low computational and storage requests of the laminar-and-turbulent characteristic-time model with a detailed combustion chemistry model based on well-known simplified mechanisms. Assuming appropriate simplifications such as steady state or equilibrium for most of the radicals and intermediate species, the kinetics of hydrocarbons can be described by means of three overall steps. This approach was integrated in the KIVA-II code. The concept was validated and applied to a single-cylinder, heavy-duty engine. The simulation covers a wide range of operating conditions.

Combustion simulations utilizing the characteristic time combustion model have been performed for four DI diesel engines ranging in size from heavy-duty to large-bore designs. It has been found that the pre-factor to the turbulent characteristic time acts as a scaling parameter between the engines. This phenomenon is explained in terms of the non-equilibrium behavior of the turbulent time and length scales, as is encountered in the rapidly distorting, spray-induced flows of DI diesel engines. In fact, the equilibrium assumption between turbulence production and dissipation, which forms the basis for the employed k-ε-type turbulence models, does not hold in these situations. For such flows, the real turbulent dissipation time scale is locally proportional to the turbulent characteristic time scale which is determined by a typical eddy turnover time.

The effects of numerical methodology in defining the initial conditions and simulating the compression stroke in D.I. diesel engine CFD computations are studied. Lumped and pointwise approaches were adopted in assigning the initial conditions at IVC. The lumped approach was coupled with a two-dimensional calculation of the compression stroke. The pointwise methodology was based on the results of an unsteady calculation of the intake stroke performed by using the STAR-CD code in the realistic engine and port geometry. Full engine and 60 deg. sector meshes were used in the compression stroke calculations in order to check the accuracy of the commonly applied axi-symmetric fluid dynamics assumption. Analysis of the evolution of the main fluid dynamics parameters revealed that local conditions at the time of injection strongly depend on the numerical procedure adopted.

Intake flow simulations were carried out for a prototype DISI engine using the standard k-ε model and the RNG k-ε model. The results were compared with PTV (transient water analog) measurements. The study was focused on low load operations with engine speed at 400 rev/min. Two cases were studied, a single intake case in which one intake port was blocked and a dual intake port case. In the computations, the results show that the standard k-ε model tends to produce higher turbulence levels when turbulence is generated and decays faster when turbulence dissipates. Different turbulence models predict almost the same flow structures. However, the effects of the turbulence model on the predicted tumble and swirl ratios are significant. The TKE distributions at BDC predicted by the two models are also different. The standard k-ε model seems to be more diffusive. Good agreements with PTV data were obtained in the single valve case with the RNG k-ε model.

To model sprays from pressure-swirl atomizers, the connection between the injector and the downstream spray must be considered. A new model for pressure-swirl atomizers is presented which assumes little knowledge of the internal details of the injector, but instead uses available observations of external spray characteristics. First, a correlation for the exit velocity at the injector exit is used to define the liquid film thickness. Next, the film must be modeled as it becomes a thin, liquid sheet and breaks up, forming ligaments and droplets. A linearized instability analysis of the breakup of a viscous, liquid sheet is used as part of the spray boundary condition. The spray angle is estimated from spray photographs and patternator data. A mass averaged spray angle is calculated from the patternator data and used in some of the calculations.

A correction for the turbulence dissipation, based on non-equilibrium turbulence considerations from rapid distortion theory, has been derived and implemented in combination with the RNG k - ε model in a KIVA-based code. This model correction has been tested and compared with the standard RNG k - ε model for the compression and the combustion phase of two heavy duty DI diesel engines. The turbulence behavior in the compression phase shows clear improvements over the standard RNG k - ε model computations. In particular, the macro length scale is consistent with the corresponding time scale and with the turbulent kinetic energy over the entire compression phase. The combustion computations have been performed with the characteristic time combustion model. With this dissipation correction no additional adjustments of the turbulent characteristic time model constant were necessary in order to match experimental cylinder pressures and heat release rates of the two engines.

In this work computational and experimental approaches are combined to characterize in-cylinder flow structures and local flow field properties during operation of the Sandia 1.9L light-duty optical Diesel engine. A full computational model of the single-cylinder research engine was used that considers the complete intake and exhaust runners and plenums, as well as the adjustable throttling devices used in the experiments to obtain different swirl ratios. The in-cylinder flow predictions were validated against an extensive set of planar PIV measurements at different vertical locations in the combustion chamber for different swirl ratio configurations. Principal Component Analysis was used to characterize precession, tilting and eccentricity, and regional averages of the in-cylinder turbulence properties in the squish region and the piston bowl.

While Low Temperature Combustion (LTC) strategies such as Reactivity Controlled Compression Ignition (RCCI) exhibit high thermal efficiency and produce low NOx and soot emissions, low load operation is still a significant challenge due to high unburnt hydrocarbon (UHC) and carbon monoxide (CO) emissions, which occur as a result of poor combustion efficiencies at these operating points. Furthermore, the exhaust gas temperatures are insufficient to light-off the Diesel Oxidation Catalyst (DOC), thereby resulting in poor UHC and CO conversion efficiencies by the aftertreatment system. To achieve exhaust gas temperature values sufficient for DOC light-off, combustion can be appropriately phased by changing the ratio of gasoline to diesel in the cylinder, or by burning additional fuel injected during the expansion stroke through post-injection.