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Combustion in an HSDI diesel engine using different injectors to realize low emissions is modeled using detailed chemical kinetics in this study. Emission characteristics of the engine are investigated using injectors that have different included spray angles, ranging from 50 to 130 degrees. The engine was operated under PCCI conditions featuring early injection times, high EGR levels and high intake temperatures. The Representative Interactive Flamelet (RIF) model was used with the KIVA code for combustion and emission modeling. Modeling results show that spray targeting plays an important role in determining the in-cylinder mixture distributions, which in turn affect the resulting pollutant emissions. High soot emissions are observed for injection conditions that result in locally fuel rich regions due to spray impingement normal to the piston surface.

The strategy of variable Intake Valve Closure (IVC) timing, as a means to improve performance and emission characteristics, has gained much acceptance in gasoline engines; yet, it has not been explored extensively in diesel engines. In this study, genetic algorithms are used in conjunction with the multi-dimensional engine simulation code KIVA-3V to investigate the optimum operating variables for a typical heavy-duty diesel engine working with late IVC. The effects of start-of-injection timing, injection duration and exhaust gas recirculation were investigated along with the intake valve closure timing. The results show that appreciable reductions in NOx+HC (∼82%), soot (∼48%) and BSFC (∼7.4%) are possible through this strategy, as compared to a baseline diesel case of (NOx+HC) = 9.48g/kW-hr, soot = 0.17 g/kW-hr and BSFC = 204 g-f/kW-hr. The additional consideration of double injections helps to reduce the high rates of pressure rise observed in a single injection scheme.

The combustion and emissions of a diesel/natural gas dual-fuel engine are studied. Available engine experimental data demonstrates that the dual-fuel configuration provides a potential alternative to diesel engine operation for reducing emissions. The experiments are compared to multi-dimensional model results. The computer code used is based on the KIVA-3V code and consists of updated sub-models to simulate more accurately the fuel spray atomization, auto-ignition, combustion and emissions processes. The model results show that dual-fuel engine combustion and emissions are well predicted by the present multi-dimensional model. Significant reduction in NOx emissions is observed in both the experiments and simulations when natural gas is substituted for diesel fuel. The HC emissions are under predicted by numerical model as the natural gas substitution is increased.

A reduced chemical reaction mechanism is developed and validated in the present study for multi-dimensional diesel HCCI engine combustion simulations. The motivation for the development of the reduced mechanism is to enhance the computational efficiency of engine stimulations. The new reduced mechanism was generated starting from an existing n-heptane mechanism (40 species and 165 reactions). The procedure of generating the reduced mechanism included: using SENKIN to produce the ignition delay data and solution files, using XSENKPLOT to analyze the base mechanism and to identify important reactions and species, eliminating unimportant species and reactions, formulating the new reduced mechanism, using the new mechanism to generate ignition delay data, and finally adjusting kinetic constants in the new mechanism to improve ignition delay and engine combustion predictions to account for diesel fuel cetane number and composition effects.

Multi-dimensional computational efforts using comprehensive and skeletal kinetics have been made to investigate the cool flame region in HCCI combustion. The work was done in parallel to an experimental study that showed the impact of the negative temperature coefficient and the cool flame on the start of combustion using different fuels, which is now the focus of the simulation work. Experiments in a single cylinder CFR research engine with n-butane and a primary reference fuel with an octane number of 70 (PRF 70) were modeled. A comparison of the pressure and heat release traces of the experimental and computational results shows the difficulties in predicting the heat release in the cool flame region. The behavior of the driving radicals for two-stage ignition is studied and is compared to the behavior for a single-ignition from the literature. Model results show that PRF 70 exhibits more pronounced cool flame heat release than n-butane.

A dual fuel engine simulation model was formulated and the combustion process of a diesel/natural gas dual fuel engine was studied using an updated KIVA-3V Computational Fluid Dynamic (CFD) code. The dual fuel engine ignition and combustion process is complicated since it includes diesel injection, atomization and ignition, superimposed with premixed natural gas combustion. However, understanding of the combustion process is critical for engine performance optimization. Starting from a previously validated Characteristic-Timescale diesel combustion model, a natural gas combustion model was implemented and added to simulate the ignition and combustion process in a dual fuel bus engine. Available engine test data were used for validation of both the diesel-only and the premixed spark-ignition operation regimes. A new formulation of the Characteristic-Timescale combustion model was then introduced to allow smooth transition between the combustion regimes.

This study considers combustion processes in a heavy-duty diesel engine at various low emissions operating conditions. The start-of-injection timings varied from -20 to 5 ATDC while the EGR levels varied from 6% to 44%. At certain conditions, HCCI-like combustion characteristics were observed under which low emissions could be achieved. The numerical model used is an improved version of KIVA-3V that can simulate spray breakup and mixture autoignition over a wide range of conditions. The ignition and combustion processes were simulated using both detailed and standard (simplified) chemistry models. Model results show that engine combustion and emissions can be predicted reasonably well under the current conditions. The trends of NOx and soot emissions with respect to the injection timings and EGR levels were well captured. However, it was found that the model over-predicted the NOx emissions in certain early injection cases.

The present study uses a numerical model to investigate the effects of flow turbulence on premixed iso-octane HCCI engine combustion. Different levels of in-cylinder turbulence are generated by using different piston geometries, namely a disc-shape versus a square-shape bowl. The numerical model is based on the KIVA code which is modified to use CHEMKIN as the chemistry solver. A detailed reaction mechanism is used to simulate the fuel chemistry. It is found that turbulence has significant effects on HCCI combustion. In the current engine setup, the main effect of turbulence is to affect the wall heat transfer, and hence to change the mixture temperature which, in turn, influences the ignition timing and combustion duration. The model also predicts that the combustion duration in the square bowl case is longer than that in the disc piston case which agrees with the measurements.

Detailed chemical kinetics was implemented in the KIVA-3V multidimensional CFD code to study the combustion process in Homogeneous Charge Compression Ignition (HCCI) engines. The CHEMKIN code was implemented such that the chemistry and flow solutions were coupled. Detailed reaction mechanisms were used to simulate the fuel chemistry of ignition and combustion. Effects of turbulent mixing on the reaction rates were also considered. The model was validated using the experimental data from two modified heavy-duty diesel engines, including a Volvo engine and a Caterpillar engine operated at the HCCI mode. The results show that good levels of agreement were obtained using the present KIVA/CHEMKIN model for a wide range of engine conditions, including various fuels, injection systems, engine speeds, and EGR levels. Ignition timings were predicted well without the need to adjust any kinetic constants.