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An integrated numerical model has been developed for diesel engine computations based on the KIVA-II code. The model incorporates a modified RNG k-ε, turbulence model, a ‘wave’ breakup spray model, the Shell ignition model, the laminar-and-turbulent characteristic-time combustion model, a crevice flow model, a spray/wall impingement model that includes rebounding and breaking-up drops, and other improved submodels in the KIVA code. The model was validated and applied to model successfully different types of diesel engines under various operating conditions. These engines include a Caterpillar engine with different injection pressures at different injection timings, a small Tacom engine at different loads, and a Cummins engine modified by Sandia for optical experiments. Good levels of agreement in cylinder pressures and heat release rate data were obtained using the same computer model for all engine cases.

The development of analytic models of diesel engine flow, combustion and subprocesses is described. The models are intended for use as design tools by industry for the prediction of engine performance and emissions to help reduce engine development time and costs. Part of the research program includes performing engine experiments to provide validation data for the models. The experiments are performed on a single-cylinder version of the Caterpillar 3406 engine that is equipped with state-of-the-art high pressure electronic fuel injection and emissions instrumentation. In-cylinder gas velocity and gas temperature measurements have also been made to characterize the flows in the engine.

Particle Image Velocimetry (PIV) was used to make gas velocity and turbulence measurements in a motored diesel engine. The experiments were conducted using a single-cylinder version of the Caterpillar 3406 production engine. One of the exhaust valves and the fuel injector port were used to provide optical access to the combustion chamber so that modifications to the engine geometry were minimal, and the results are representative of the actual engine. Measurements of gas velocity were made in a plane in the piston bowl using TiO2 seed particles. The light sheet necessary for PIV was formed by passing the beam from a Nd:YAG laser through the injector port and reflecting the beam off a conical mirror at the center of the piston. PIV data was difficult to obtain due to significant out-of-plane velocities. However, data was acquired at 25° and 15° before top dead center of compression at 750 rev/min.

The three-dimensional KIVA code has been used to study the effects of injection pressure and split injections on diesel engine performance and soot and NOx emissions. The code has been updated with state-of-the-art submodels including: a wave breakup atomization model, drop drag with drop distortion, spray/wall interaction with sliding, rebounding, and breaking-up drops, multistep kinetics ignition and laminar-turbulent characteristic time combustion, wall heat transfer with unsteadiness and compressibility, Zeldovich NOx formation, and soot formation with Nagle Strickland-Constable oxidation. The computational results are compared with experimental data from a single-cylinder Caterpillar research engine equipped with a high-pressure, electronically-controlled fuel injection system, a full-dilution tunnel for soot measurements, and gaseous emissions instrumentation.

An experimental study has been completed which evaluated the effectiveness of using double, triple and rate shaped injections to simultaneously reduce particulate and NOx emissions. The experiments were done using a single cylinder version of a Caterpillar 3406 heavy duty D.I. diesel engine. The fuel system used was a common rail, electronically controlled injector that allowed flexibility in both the number and duration of injections per cycle. Injection timing was varied for each injection scheme to evaluate the particulate vs. NOx tradeoff and fuel consumption. Tests were done at 1600 rpm using engine load conditions of 25% and 75% of maximum torque. The results indicate that a double injection with a significantly long delay between injections reduced particulate by as much as a factor of three over a single injection at 75% load with no increase in NOx. Double injections with a smaller dwell gave less improvement in particulate and NOx at 75% load.

This study was conducted to develop an understanding of how rate-shaped and split injections can affect the soot and NOx emissions of a heavy-duty diesel engine. The tests were performed on a single cylinder version of the Caterpillar 3406 production engine, modified to accept an electronically-controlled, high-pressure common-rail injection system that offers a very high degree of flexibility in injection timing, split injections, and rate shaping of the initial injection. The engine was instrumented for particulate measurements with a full dilution tunnel, and CO, CO2 and NOx emission meters. Cylinder pressure was used to study heat release rates, and the response to changes in the injection scheme. The results show that rate-shaped injection, when optimized for lowest BSFC, does not appreciably affect pressure rise or peak cylinder gas pressures.

The three-dimensional computer code, KIVA, is being modified to include state-of-the-art submodels for diesel engine flow and combustion. Improved and/or new submodels which have already been implemented are: wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo'vich NOx, and spray/wall impingement with rebounding and sliding drops. Progress on the implementation of improved spray drop drag and drop breakup models, the formulation and testing of a multistep kinetics ignition model and preliminary soot modeling results are described. In addition, the use of a block structured version of KIVA to model the intake flow process is described. A grid generation scheme has been developed for modeling realistic (complex) engine geometries, and initial computations have been made of intake flow in the manifold and combustion chamber of a two-intake-valve engine.

Spray models have been evaluated using experimentally measured trajectories and drop sizes of single drops injected into a high relative velocity gas flow. The computations were made using a modified version of the KIVA-2 code. It was found that the drop drag coefficient and the drop breakup time model constant had to be adjusted in order to match the measurements. Based on these findings, a new drop drag submodel is proposed in which the drop drag coefficient changes dynamically with the flow conditions. The model accounts for the effects of drop distortion and oscillation due to the relative motion between the drop and the gas. The value of the drag coefficient varies between the two limits of that of a rigid sphere (no distortion) and that of a disk (maximum distortion). The modified model was also applied to diesel sprays. The results show that the spray tip penetration is relatively insensitive to the value used for the drop drag coefficient.

A new technique which is based on optoacoustic phenomena has been developed for measuring in-cylinder gas temperature and turbulent diffusivity. In the experiments, a high energy Nd:YAG pulsed laser beam was focused to cause local ionization of air at a point in the combustion chamber. This initiates a shock wave and creates a hot spot. The local temperature and turbulent diffusivity are determined by monitoring the shock propagation and the hot spot growth, respectively, with a schlieren photography system. In order to assess the validity and accuracy of the measurements, the technique was also applied to a turbulent jet. The temperature measurements were found to be accurate to within 3%. Results from the turbulent jet measurements also showed that the growth rate of the hot spot diameter can be used to estimate the turbulent diffusivity. In-cylinder gas temperature measurements were made in a motored single cylinder Caterpillar diesel engine, modified for optical access.

A three-dimensional computer code (KIVA) is being modified to include state-of-the-art submodels for diesel engine flow and combustion: spray atomization, drop breakup/coalescence, multi-component fuel vaporization, spray/wall interaction, ignition and combustion, wall heat transfer, unburned HC and NOx formation, soot and radiation and the intake flow process. Improved and/or new submodels which have been completed are: wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo'vich NOx, and spray/wall impingement with rebounding and sliding drops.

The combustion mechanism in a Compression Ignition Homogeneous Charge (CIHC) engine was studied. Previous experiments done on a four-stroke CIHC engine were modeled using the KIVA-II code with modifications to the combustion, heat transfer, and crevice flow submodels. A laminar and turbulence characteristic time combustion model that has been used for spark-ignited engine studies was extended to allow predictions of ignition. The rate of conversion from one chemical species to another is modeled using a characteristic time which is the sum of a laminar (high temperature) chemistry time, an ignition (low temperature) chemistry time, and a turbulence mixing time. The ignition characteristic time was modeled using data from elementary initiation reactions and has the Arrhenius form. It was found to be possible to match all engine test cases reasonably well with one set of combustion model constants.

Diesel engine in-cylinder combustion processes have been studied using computational models with particular attention to spray development, vaporization, fuel/air mixture formation and combustion. A thermodynamic zero-dimensional cycle analysis program was used to determine initial conditions for the multidimensional calculations. A modified version of the time-dependent, three-dimensional computational fluid dynamics code KIVA-II was used for the computations, with a detailed treatment for the spray calculations and a simplified model for combustion. The calculations were used to obtain an understanding of the potential predictive capabilities of the models. It was found that there is a strong sensitivity of the results to numerical grid resolution. With proper grid resolution, the calculations were found to reproduce experimental data for non- vaporizing and vaporizing sprays. However, for vaporizing sprays with combustion, extremely fine grids are needed.

Combustion and flow were calculated in a spark-ignited two-stroke crankcase-scavenged engine using a laminar and turbulent characteristic-time combustion submodel in the three-dimensional KIVA code. Both premixed-charge and fuel-injected cases were examined. A multi-cylinder engine simulation program was used to specify initial and boundary conditions for the computation of the scavenging process. A sensitivity study was conducted using the premixed-charge engine data. The influence of different port boundary conditions on the scavenging process was examined. At high delivery ratios, the results were insensitive to variations in the scavenging flow or residual fraction details. In this case, good agreement was obtained with the experimental data using an existing combustion submodel, previously validated in a four-stroke engine study.

Manufacturers of heavy-duty diesel engines are facing increasingly stringent, emission standards. These standards have motivated new research efforts towards improving the performance of diesel engines. The objective of the present program is to develop a comprehensive analytical model of the diesel combustion process that can be used to explore the influence of design changes. This will enable industry to predict the effect of these changes on engine performance and emissions. A major benefit of the successful implementation of such models is that engine development time and costs would be reduced through their use. The computer model is based on the three-dimensional KIVA-II code, with state-of-the-art submodels for spray atomization, drop breakup / coalescence, multi-component fuel vaporization, spray/wall interaction, ignition and combustion, wall heat transfer, unburned HC and NOx formation, and soot and radiation.

Two-dimensional computations of premixed-charge engine combustion were made using the KIVA-II code. The purpose of the study was to assess the influence of heat transfer and turbulence model boundary conditions on engine combustion predictions. Combustion was modeled using a laminar- and turbulent-characteristic-time model. Flow through the piston-cylinder-ring crevice was accounted for using a phenomenological crevice-flow model. The predictions were compared to existing cylinder pressure and wall heat transfer experimental data under motoring and fired conditions, at two engine speeds. Two different wall heat transfer model formulations were considered. The first is the standard wall function method. The second is based on solutions to the one-dimensional unsteady energy equation, formulated such that the standard wall function method is recovered in the quasi-steady limit. Turbulence was modeled using the standard k-ε turbulence model equations.

A modification of the computational fluid dynamics code KIVA-II is presented that allows computations to be made in complex engine geometries. An example application is given in which three versions of KIVA-II are run simultaneously. Each version considers a separate block of the computational domain, and the blocks exchange boundary condition information with each other at their common interfaces. The use of separate blocks permits the connectedness of the overall computational domain to change with time. The scavenging flow in the cylinder, transfer pipes (ports), and exhaust pipe of a ported two-stroke engine with a moving piston was modeled in this way. Results are presented for three engine designs that differ only in the angle of their boost ports. The calculated flow fields and the resulting fuel distributions are shown to be markedly different with the different geometries.

The physical in-cylinder processes and ignition during cold starting have been studied using computational models, with particular attention to the influences of blowby, heat transfer during the compression stroke, spray development, vaporization and fuel/air mixture formation and ignition. Two different modeling approaches were used. A thermodynamic zero dimensional cycle analysis program in which the fuel injection effects were not modeled, was used to determine overall and gas exchange effects. The three-dimensional KIVA-II code was used to determine details of the closed cycle events, with modified atomization, blowby and spray/wall impingement models, and a simplified model for ignition. The calculations were used to obtain an understanding of the cold starting process and to identify practical methods for improving cold starting of direct injection diesel engines.

Multidimensional computations were made of spark-ignited premixed-charge combustion in a pancake-combustion-chamber engine with a centrally located spark plug and in two pent-roof-chamber engines, one with a central spark plug and the other with dual lateral spark plugs. A global combustion submodel was used that accounts for laminar kinetics and turbulent mixing effects. The predictions were compared with available measurements in the pancake-chamber engine over a range of loads, speeds, and equivalence ratios. In all cases the computed and measured cylinder pressures agreed well in trends and magnitudes (within 8%) for the entire duration of combustion. Fair agreements were also obtained between predicted and measured values of wall heat flux and emission index of nitric oxide. In the pent-roof-chamber engines the predicted maximum cylinder pressures also agreed well with measurements (within 12%) in cases with MBT (Minimum spark advance for Best Torque) or advanced spark timing.

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.

A multi-dimensional model was used to calculate interactions between spray drops and gas motions close to the nozzle in dense high-pressure sprays. The model also accounts for the phenomena of drop breakup, drop collision and coalescence, and the effect of drops, on the gas turbulence. The calculations used a new method to describe atomization (a boundary condition in current spray codes). The method assumes that atomization and drop breakup are indistinguishable processes within the dense spray near the nozzle exit. Accordingly, atomization is prescribed by injecting drops (‘blobs’) that have a size equal to the nozzle exit diameter. The injected ‘blobs’ breakup due to interaction with the gas as they penetrate, yielding a core region which contains relatively large drops. The computed core length agrees well with available measurements of core length in high-pressure sprays.