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In the present work the three-dimensional KIVA CFD code was used to simulate the combustion process in a HSDI diesel engine. State-of-the-art models, including the KH-RT spray breakup model, the RNG k-ε turbulence model, and a n-heptane reduced chemistry including reduced GRI NOx mechanism were used. The performances of two combustion models, KIVA-CHEMKIN and GAMUT (KIVA-CHEMKIN-G), coupled with 2-step and multi-step phenomenological soot models were compared. The numerical results were compared with available experimental data obtained from an optically accessible HSDI engine and good agreement was obtained. To assess the effects of the in-cylinder flow field on combustion and emissions, off-centered swirl flows were also considered. In these studies, the swirl center was initialized at different positions in the chamber for different cases to simulate the effects of different intake flow arrangements.

An integrated system model containing sub-models for diesel engine, emissions, and aftertreatment devices has been developed. The objective is to study engine-device and device-device interactions. The emissions sub-models used are for NOx and PM (particulate matter) prediction. The aftertreatment sub-models used include a diesel oxidation catalyst (DOC) and a diesel particulate filter (DPF). Controllers have also been developed to allow for transient simulations, active DPF regeneration, and prevention/control of runaway DPF regenerations. The integrated system-level model has been used to simulate DPF regeneration via exhaust fuel injection ahead of the DOC. In addition, the controller model can use intake throttling to assist in active DPF regeneration if needed. Regeneration studies have been done for both steady engine load and with load transients. High to low engine load transients are of particular interest because they can lead to runaway DPF regeneration.

The effects of residual gas mixing were studied in a single-cylinder, air-cooled utility engine using both external exhaust gas recirculation (EGR) and internal residual retention. EGR was introduced far upstream of the throttle to ensure proper mixing. Internal residual was changed by varying the length of the valve overlap period. EGR was measured in the intake system; the total in-cylinder diluent was directly measured using a skip-fire, cylinder dumping technique. A sweep of diluent fraction was performed at different engine speeds, engine loads, fuel mixture preparation systems, and ignition timings. An optimum level of diluent, where the combined hydrocarbon and NOx emissions were minimal, was found to exist for each operating condition. Higher levels of diluent, either through internal retention or external recirculation, caused the combined emissions to increase.

The contribution of fuel adsorption in engine oil and its subsequent desorption following combustion to the engine-out hydrocarbon (HC) emissions of a spark-ignited, air-cooled, V-twin utility engine was studied by comparing steady state and cycle-resolved HC emission measurements from operation with a standard full-blend gasoline, and with propane, which has a low solubility in oil. Experiments were performed at two speeds and three loads, and for different mean crankcase pressures. The crankcase pressure was found to impact the HC emissions, presumably through the ringpack mechanism, which was largely unaltered by the different fuels. The average and cycle-resolved HC emissions were found to be in good agreement, both qualitatively and quantitatively, for the two fuels. Further, the two fuels showed the same response to changes in the crankcase pressure. The solubility of propane in the oil is approximately an order of magnitude lower than for gasoline.

Homogeneous Charge Compression Ignition (HCCI) combustion is being considered as a practical solution for diesel engines due to its high efficiency and low NOx and PM emissions. However, for diesel HCCI operation, there are still several problems that need to be solved. One is the spay-wall impingement issue associated with early injection, and a further problem is the extension of HCCI operation from low load to higher engine loads. In this study, a combination of Adaptive Injection Strategies (AIS) and a Two-Stage Combustion (TSC) strategy are proposed to solve the aforementioned problems. A multi-dimensional Computational Fluid Dynamics (CFD) code with detailed chemistry, the KIVA-CHEMKIN-GA code, was employed in this study, where Genetic Algorithms (GA) were used to optimize heavy-duty diesel engine operating parameters. The TSC concept was applied to optimize the combustion process at high speed (1737 rev/min) and medium load (57% load).

The use of low temperature combustion (LTC) modes has demonstrated abilities to lower diesel engine emissions while maintaining good fuel consumption. LTC is assumed to be a viable solution to assist in meeting stringent upcoming diesel engine emissions targets, particularly nitric oxides (NOx) and particulate matter (PM). However, LTC is currently limited to low engine loads and is not a feasible solution at higher loads on production engines. A mixed mode combustion strategy must be implemented to take advantage of the benefits offered from LTC at the low loads and speeds while switching to a conventional diesel combustion strategy at higher loads and speeds and thus allowing full range use of the engine under realistic driving conditions. Experiments were performed to characterize engine out emissions during transient engine operating conditions involving LTC combustion strategies.

Two advanced combustion models have been validated with the KIVA-3V Release 2 code in the context of two-stage combustion in a heavy duty diesel engine. The first model uses CHEMKIN to directly integrate chemistry in each computational cell. The second model accounts for flame propagation with the G-equation, and CHEMKIN predicts autoignition and handles chemistry ahead of and behind the flame front. A Damköhler number criterion was used in flame containing cells to characterize the local mixing status and determine whether heat release and species change should be a result of flame propagation or volumetric heat release. The purpose of this criterion is to make use of physical and chemical time scales to determine the most appropriate chemistry model, depending on the mixture composition and thermodynamic properties of the gas in each computational cell.

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.

The effect of injection rate shape on spray evolution and emission characteristics is investigated and a methodology for active control of fuel injection is proposed. Extensive validation of advanced vaporization and primary jet breakup models was performed with experimental data before studying the effects of systematic changes of injection rate shape. Excellent agreement with the experiments was obtained for liquid and vapor penetration lengths, over a broad range of gas densities and temperatures. Also the predicted flame lift-off lengths of reacting diesel fuel sprays were in good agreement with the experiments. After the validation of the models, well-defined rate shapes were used to study the effect of injection rate shape on liquid and vapor penetration, flame lift-off lengths and emission characteristics.

The recently developed KIVA-GA computer code was used in the current study to optimize the combustion chamber geometry of a heavy -duty diesel truck engine and a high-speed direct-injection (HSDI) small-bore diesel engine. KIVA-GA performs engine simulations within the framework of a genetic algorithm (GA) global optimization code. Design fitness was determined using a modified version of the KIVA-3V code, which calculates the spray, combustion, and emissions formation processes. The measure of design fitness includes NOx, unburned HC, and soot emissions, as well as fuel consumption. The simultaneous minimization of these factors was the ultimate goal. The KIVA-GA methodology was used to optimize the engine performance using nine input variables simultaneously. Three chamber geometry related variables were used along with six other variables, which were thought to have significant interaction with the chamber geometry.

Experimental data is used in conjunction with multi-dimensional modeling in a modified version of the KIVA-3V code to characterize the emissions behavior of a high-speed, direct-injection diesel engine. Injection pressure and EGR are varied across a range of typical small-bore diesel operating conditions and the resulting soot-NOx tradeoff is analyzed. Good agreement is obtained between experimental and modeling trends; the HSDI engine shows increasing soot and decreasing NOx with higher EGR and lower injection pressure. The model also indicates that most of the NOx is formed in the region where the bulk of the initial heat release first takes place, both for zero and high EGR cases. The mechanism of NOx reduction with high EGR is shown to be primarily through a decrease in thermal NOx formation rate.

A single cylinder CFR research engine has been run in HCCI combustion mode for a range of temperatures and fuel compositions. The data indicate that the best HCCI operation, as measured by a combination of successful combustion with low ISFC, occurs at or near the rich limit of operation. Analysis of the pressure and heat release histories indicated the presence, or absence, and impact of the fuel's NTC ignition behavior on establishing successful HCCI operation. The auto-ignition trends observed were in complete agreement with previous results found in the literature. Furthermore, analysis of the importance of the fuel's octane sensitivity, through assessment of an octane index, successfully explained the changes in the fuels auto-ignition tendency with changes in engine operating conditions.

A computational optimization study was performed for a direct-injection diesel engine using a recently developed 1-D-KIVA3v-GA (1-Dimensional-KIVA3v-Genetic Algorithm) computer code. The code performs a full engine cycle simulation within the framework of a genetic algorithm (GA) code. Design fitness is determined using a 1-D (one-dimensional) gas dynamics code for the simulation of the gas exchange process, coupled with the KIVA3v code for three-dimensional simulations of spray, combustion and emissions formation. The 1-D-KIVA3v-GA methodology was used to simultaneously investigate the effect of eight engine input parameters on emissions and performance for four cases, which include cases at 2500 RPM and 1000 RPM, with both simulated at high-load and low-load conditions.

An experimental and numerical characterization has been conducted for high-pressure hydraulically actuated fuel injection systems. One single and one double-guided multi-hole Valve-Covered-Orifice (VCO) type injector was used with a Common Rail (CR) injection system, and two mini-sac injectors for Hydraulic electronic Unit Injection system (HEUI) were used with different orifice diameters. The purpose of the study was to explore the effects of the injection system and the operating conditions on the engine emissions for a direct injection small bore diesel engine. The diesel spray was injected into a pressurized chamber with optical access at ambient temperature. The gas density inside the chamber was representative of the density in a High Speed Direct Injection (HSDI) diesel engine at the time of injection. The experimental spray parameters included: injection pressure, injection duration, nozzle type, and nozzle diameter.

A new primary breakup model was developed and applied to simulate the diesel fuel spray and atomization process. The continuous liquid fuel jet was simulated by a discrete Lagrangian particle method, and the primary breakup of the jet was calculated using a new 1-D Eulerian method that provides the jet breakup time and drop size distribution. A set of correlations of the breakup characteristics, including the breakup time and drop size, were developed for a range of operating conditions. The correlations were then used in the KIVA code to predict the jet primary breakup. For drop secondary breakups, the Kelvin-Helmholtz/Rayleigh-Taylor hybrid model was employed. The new primary breakup model was first validated by comparison to experimental breakup length and jet liquid tip penetration lengths. Predictions of the new breakup model were also compared with experimental data and predictions of the standard breakup model.

A radiation model based on the Discrete Ordinates Method (DOM) was incorporated into the KIVA3v multidimensional code to study the effects of soot and radiation on diesel engine performance at high load. A thermophoretic soot deposition model was implemented to predict soot concentrations in the near-wall region, which was found to affect radiative heat flux levels. Realistic, non-uniform combustion chamber wall surface temperature distributions were predicted using a finite-element-based heat conduction model for the engine metal components that was coupled with KIVA3v in an iterative scheme. The more accurate combustion chamber wall temperatures enhanced the accuracy of both the radiation and soot deposition models as well as the convective heat transfer model. For a basline case, (1500 rev/min, 100% load) it was found that radiation can account for as much as 30% of the total wall heat loss and that soot deposition in each cycle is less than 3% of the total in-cylinder soot.

A comprehensive system level modeling approach is used to understand the effects of the various physical actuators during diesel HCCI transients. Control concepts during transient operations are simulated using a set of actuators suitable for combustion control in diesel HCCI engines (intake valve actuation, injection timing, cooled EGR, intake boost pressure and droplet size). The impact of these actuating techniques on the overall engine performance is quantified by investigating the amount of actuation required, timing of actuation and the use of a combination of actuators. Combined actuation improved actuation space that can be used to phase combustion timing better and in extending the operating range. The results from transient simulations indicate that diesel HCCI operation would benefit from the combined actuation of intake valve closure, injection timing, boost and cooled EGR.

The effect of piston ring pack crevice flow and lubricant oil vaporization on heavy-duty diesel engine deposits is investigated numerically using a multidimensional CFD code, KIVA3V, coupled with Chemkin II, and computational grids that resolve part of the crevice region appropriately. Improvements have been made to the code to be able to deal with the complex geometry of the ring pack, and sub-models for the crevice flow dynamics, lubricating oil vaporization and combustion, soot formation and deposition were also added to the code. Eight parametric cases were simulated under reacting conditions using detailed chemical kinetics to determine the effects of variations of lube-oil film thickness, distribution of the oil film thickness, number of injection pulses, and the main injection timing on engine soot deposition. The results show that crevice-borne hydrocarbon species play an important role in deposit formation on crevice surfaces.

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.

Schlieren visualization was performed to investigate hydrogen injection into a quiescent chamber. The injection pressures investigated were 52 and 104 bar, and the chamber density ranged from 1.15 to 12.8 kg/m3, giving rise to underexpanded jets for all conditions. The expansion waves outside the nozzle were clearly visible with hydrogen, and the effect was confirmed with studies of nitrogen injected into a nitrogen environment. The distance between the expansion wave fronts was found to scale directly with the ratio of the exit pressure to the chamber pressure. The jet tip penetration rate was measured and was found to increase with injection pressure, and decrease with chamber density as expected. A mass- and momentum-preserving scheme was developed to relate the underexpanded jet to a subsonic jet of larger diameter.