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A new ignition and combustion model has been developed and tested for use in premixed spark-ignition engines. The ignition model is referred to as the Discrete Particle Ignition Kernel (DPIK) model, and it uses Lagrangian markers to track the flame-front growth. The model includes the effects of electrode heat transfer on the early flame kernel growth process, and it is used in conjunction with a characteristic-time-scale combustion model once the ignition kernel has grown to a size where the effects of turbulence on the flame must be considered. A new term which accounts for the effect of air-fuel ratio, was added to the combustion model for modeling combustion in very lean and very rich mixtures. The flame kernel size predicted by the DPIK model was compared with measurements of Maly and Vogel. Furthermore, predictions of the electrode heat transfer were compared with data of Kravchik and Heywood. In both comparisons the model predictions were in good agreement with the experiments.

Analysis of the cold-starting performance of diesel engines requires the development of advanced models to describe the multicomponent nature of the fuel as well as the spray impingement and wall film behavior. A new approach to modeling the multicomponent nature of commercial fuels was implemented. This model is based on a continuous distribution using a probability density function, rather than the use of discrete components, to capture more accurately the entire range of composition in commercial fuels. The model was applied to single droplet calculations to validate the predictions against experimental results. Previous discrete component wall-film modeling has been extended to include the continuous multicomponent fuel representation. A significant factor that has received little attention in analyzing the cold-start performance of diesel engines is the spray impingement angle and location. This has been investigated using the modified KIVA code.

A phenomenological nozzle flow model has been developed and implemented in both the FIRE and KIVA-II codes to simulate the effects of the nozzle geometry on fuel injection and spray processes. The model takes account of the nozzle passage inlet configuration, flow losses and cavitation, the injection pressure and combustion chamber conditions and provides initial conditions for multidimensional spray modeling. The discharge coefficient of the injector, the effective injection velocity and the initial drop or injected liquid ‘blob’ sizes are calculated dynamically during the entire injection event. The model was coupled with the wave breakup model to simulate experiments of non-vaporizing sprays under diesel conditions. Good agreement was obtained in liquid penetration, spray angle and drop size (Sauter Mean Diameter). The integrated model was also used to model combustion in a Cummins single-cylinder optical engine with good agreement.

An electronically controlled Caterpillar single-cylinder oil test engine (SCOTE) was used to study diesel combustion. The SCOTE retains the port, combustion chamber, and injection geometry of the production six cylinder, 373 kW (500 hp) 3406E heavy-duty truck engine. The engine was equipped with an electronic unit injector and an electronically controlled common rail injector that is capable of multiple injections. An emissions investigation was carried out using a six-mode cycle simulation of the EPA Federal Transient Test Procedure. The results show that the SCOTE meets current EPA mandated emissions levels, despite the higher internal friction imposed by the single-cylinder configuration. NOx versus particulate trade-off curves were generated over a range of injection timings for each mode and results of heat release calculations were examined, giving insight into combustion phenomena in current “state of the art” heavy-duty diesel engines.

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.

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.

An experimental study of luminous combustion in a modern diesel engine was performed to investigate the effect of injection parameters on NOX and soot formation via flame temperature and soot KL factor measurements. The two-color technique was applied to 2-D soot luminosity images and area-averaged soot radiation signals to obtain spatially and temporally resolved flame temperature and soot KL factor. The imaging system used for this study was based on a wide-angle endoscope that was mounted in the cylinder head and allowed different views of the combustion chamber. The experiments were carried out on a single-cylinder 2.4 liter D.I. diesel engine equipped with an electronically controlled common-rail injection system. Operating conditions were 1600 rpm and 75% load. The two-color results confirm that retarding the injection timing causes lower flame temperatures and NOX emissions but increased soot formation, independent of injection strategy.

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.

Fuel preparation and stratified combustion were studied for a conceptual gasoline Direct-Injection Spark-Ignition (GDI or DISI) engine by computer simulations. The primary interest was on the effects of different injector orientations and the effects of tumble ratio for late injection cases at a partial load operating condition. A modified KIVA-3V code that includes improved spray breakup and wall impingement and combustion models was used. A new ignition kernel model, called DPIK, was developed to describe the early flame growth process. The model uses Lagrangian marker particles to describe the flame positions. The computational results reveal that spray wall impingement is important and the fuel distribution is controlled by the spray momentum and the combustion chamber shape. The injector orientation significantly influences the fuel stratification pattern, which results in different combustion characteristics.

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.

In the current work, a series-hybrid vehicle has been constructed that utilizes a dual-fuel, Reactivity Controlled Compression Ignition (RCCI) engine. The vehicle is a 2009 Saturn Vue chassis and a 1.9L turbo-diesel engine converted to operate with low temperature RCCI combustion. The engine is coupled to a 90 kW AC motor, acting as an electrical generator to charge a 14.1 kW-hr lithium-ion traction battery pack, which powers the rear wheels by a 75 kW drive motor. Full vehicle testing was conducted on chassis dynamometers at the Vehicle Emissions Research Laboratory at Ford Motor Company and at the Vehicle Research Laboratory at Oak Ridge National Laboratory. For this work, the US Environmental Protection Agency Highway Fuel Economy Test was performed using commercially available gasoline and ultra-low sulfur diesel. Fuel economy and emissions data were recorded over the specified test cycle and calculated based on the fuel properties and the high-voltage battery energy usage.

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.

The application of close-coupled post injections in diesel engines has been proven to be an effective in-cylinder strategy for soot reduction, without much fuel efficiency penalty. But due to the complexity of in-cylinder combustion, the soot reduction mechanism of post-injections is difficult to explain. Accordingly, a simulation study using a three dimensional computational fluid dynamics (CFD) model, coupled with the SpeedChem chemistry solver and a semi-detailed soot model, was carried out to investigate post-injection in a constant volume combustion chamber, which is more simple and controllable with respect to the boundary conditions than an engine. A 2-D axisymmetric mesh of radius 2 cm and height 5 cm was used to model the spray. Post-injection durations and initial oxygen concentrations were swept to study the efficacy of post-injection under different combustion conditions.

3-D Computational Fluid Dynamics (CFD) simulations have been performed to study particulate formation in a Spark-Ignition (SI) engine under premixed conditions. A semi-detailed soot model and a chemical kinetic model, including poly-aromatic hydrocarbon (PAH) formation, were coupled with a spark ignition model and the G equation flame propagation model for SI engine simulations and for predictions of soot mass and particulate number density. The simulation results for in-cylinder pressure and particle size distribution (PSDs) are compared to available experimental studies of equivalence ratio effects during premixed operation. Good predictions are observed with regard to cylinder pressure, combustion phasing and engine load. Qualitative agreements of in-cylinder particle distributions were also obtained and the results are helpful to understand particulate formation processes.

Due to the new challenge of meeting number-based regulations for particulate matter (PM), a numerical and experimental study has been conducted to better understand particulate formation in engines fuelled with compressed natural gas. The study has been conducted on a Heavy-Duty, Euro VI, 4-cylinder, spark ignited engine, with multipoint sequential phased injection and stoichiometric combustion. For the experimental measurements two different instruments were used: a condensation particle counter (CPC) and a fast-response particle size spectrometer (DMS) the latter able also to provide a particle size distribution of the measured particles in the range from 5 to 1000 nm. Experimental measurements in both stationary and transient conditions were carried out. The data using the World Harmonized Transient Cycle (WHTC) were useful to detect which operating conditions lead to high numbers of particles. Then a further transient test was used for a more detailed and deeper analysis.

The present experimental study explores the effects of compression ratio and piston design in a heavy-duty diesel engine operated with Reactivity Controlled Compression Ignition (RCCI) combustion. In previous studies, RCCI combustion with in-cylinder fuel blending using port-fuel-injection of a low reactivity fuel and optimized direct-injections of higher reactivity fuels was demonstrated to permit near-zero levels of NOX and PM emissions in-cylinder, while simultaneously realizing high thermal efficiencies. The present study consists of RCCI experiments at loads from 4 to 17 bar indicated mean effective pressure at engine speeds of 1,300 and 1,700 [rev/min]. The experiments used a modified piston to examine the effect of piston crevice volume, squish geometry, and compression ratio on performance and efficiency.

Fuel Injection System (FIS) research on injection pressure, timing control, and rate shaping, and studies on the modeling of injector nozzle flows and their effect on fuel spray characteristics are usually conducted separately. Only recently has the fuel injection and spraying process been studied as a complete system, i.e., including both the high-pressure fuel delivery and its effect on the nozzle flow characteristics, including nozzle cavitation. A methodology for coupling the fuel injection system and its effect on spray characteristics is presented here. The method is applied to an example case of a conventional pump-line-nozzle system. Mathematical models for characterizing the flows from the pump to the nozzle are formulated and solved using the Method of Characteristics and finite difference techniques. The nozzle internal flow is modeled using zero-dimensional flow models, in which the nozzle cavitation and its effect on the nozzle exit flow are accounted for.

A computer model was used to study the impingement of sprays on walls. The spray model accounts for the effects of drop breakup, drop collision and coalescence, and the effect of drops on the gas turbulence. These effects have been shown to be important in high-pressure sprays where breakup of the liquid yields a core region near the nozzle containing large drops. A new submodel was developed to describe the spray/wall interaction process. The model uses an analogy with the oblique impact on a wall of liquid jets. Following impact, the trajectory of a drop is specified to be tangent to the wall surface. The computations were compared with recent endoscope pictures of engine sprays impinging on a piston bowl and also with constant-volume-bomb measurements of spray shape and penetration. Predictions of the effect of engine swirl, ambient gas pressure (density), wall inclination angle and the distance from the nozzle to the wall, were in good qualitative agreement with the experiments.

The possibility to operate current diesel engines in dual-fuel mode with the addition of an alternative fuel is fundamental to accelerate the energy transition to achieve carbon neutrality. The simulation of the dual- fuel combustion process with 0D/1D combustion models is fundamental for the performance prediction, but still particularly challenging, due to chemical interactions of the mixture. The authors defined a novel data-driven workflow for the development of combustion reaction mechanisms and used it to generate a dual-fuel mechanism for Ammonia and Diesel Primary Reference Fuels (DPRF) suitable for efficient combustion simulations in heavy duty engines, with variable cetane number Diesel fuels. A baseline reaction mechanism was created by merging the detailed ammonia mechanism by Glarborg et al. with reaction pathways for n- hexadecane and 2,2,4,4,6,8,8-heptamethylnonane from a well-established multi-component fuel mechanism.

We propose a novel dual-fuel combustion model for simulating heavy-duty engines with the G-Equation. Dual-Fuel combustion strategies in such engines features direct injection of a high-reactivity fuel into a lean, premixed chamber which has a high resistance to autoignition. Distinct combustion modes are present: the DI fuel auto-ignites following chemical ignition delay after spray vaporization and mixing; a reactive front is formed on its surroundings; it develops into a well-structured turbulent flame, which propagates within the premixed charge. Either direct chemistry or the flame-propagation approach (G- Equation), taken alone, do not produce accurate results. The proposed Dual-Fuel model decides what regions of the combustion chamber should be simulated with either approach, according to the local flame state; and acts as a “kernel” model for the G- Equation model. Direct chemistry is run in the regions where a premixed front is not present.