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The paper presents the development of a novel approach to the solution of detailed chemistry in internal combustion engine simulations, which relies on the analytical computation of the ordinary differential equations (ODE) system Jacobian matrix in sparse form. Arbitrary reaction behaviors in either Arrhenius, third-body or fall-off formulations can be considered, and thermodynamic gas-phase mixture properties are evaluated according to the well-established 7-coefficient JANAF polynomial form. The current work presents a full validation of the new chemistry solver when coupled to the KIVA-4 code, through modeling of a single cylinder Caterpillar 3401 heavy-duty engine, running in two-stage combustion mode.

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.

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.

A numerical study of the effects of injection parameters and operating conditions for diesel-fuel HCCI operation is presented with consideration of Variable Geometry Sprays (VGS). Methods of mixture preparation are explored that overcome one of the major problems in HCCI engine operation with diesel fuel and conventional direct injection systems, i.e., fuel loss due to wall impingement and the resulting unburned fuel. Low pressure injection of hollow cone sprays into the cylinder of a production engine with the spray cone angle changing during the injection period were simulated using the multi-dimensional KIVA-3V CFD code with detailed chemistry. Variation of the starting and ending spray angles, injection timing, initial cylinder pressure and temperature, swirl intensity, and compression ratio were explored. As a simplified case of VGS, two-pulse, hollow-cone sprays were also simulated.

In-cylinder flow and combustion processes simulated with the standard k-ε turbulence model and with an alternative model-employing a non-linear, quadratic equation for the turbulent stresses-are contrasted for both motored and fired engine operation at two loads. For motored operation, the differences observed in the predictions of mean flow development are small and do not emerge until expansion. Larger differences are found in the spatial distribution and magnitude of turbulent kinetic energy. The non-linear model generally predicts lower energy levels and larger turbulent time scales. With fuel injection and combustion, significant differences in flow structure and in the spatial distribution of soot are predicted by the two models. The models also predict considerably different combustion efficiencies and NOx emissions.

A set of scaling laws were previously developed to guide the transfer of combustion system designs between diesel engines of different sizes [ 1 , 2 , 3 , 4 ]. The intent of these scaling laws was to maintain geometric similarity of key parameters influencing diesel combustion such as in-cylinder spray penetration and flame lift-off length. The current study explores the impact of design constraints or limitations on the application of the scaling laws and the effect this has on the ability to replicate combustion and emissions. Multi dimensional computational fluid dynamics (CFD) calculations were used to evaluate the relative impact of engine design parameters on engine performance under full load operating conditions. The base engine was first scaled using the scaling laws. Design constraints were then applied to assess how such constraints deviate from the established scaling laws and how these alter the effectiveness of the scaling effort.

In-cylinder fluid velocity is measured in an optically accessible, fired HSDI engine at idle. The velocity field is also calculated, including the full induction stroke, using multi-dimensional fluid dynamics and combustion simulation models. A detailed comparison between the measured and calculated velocities is performed to validate the computed results and to gain a physical understanding of the flow evolution. Motored measurements are also presented, to clarify the effects of the fuel injection process and combustion on the velocity field evolution. The calculated mean in-cylinder angular momentum (swirl ratio) and mean flow structures prior to injection agree well with the measurements. Modification of the mean flow by fuel injection and combustion is also well captured.

Engine-out CO emission and fuel conversion efficiency were measured in a highly-dilute, low-temperature diesel combustion regime over a swirl ratio range of 1.44-7.12 and a wide range of injection timing. At fixed injection timing, an optimal swirl ratio for minimum CO emission and fuel consumption was found. At fixed swirl ratio, CO emission and fuel consumption generally decreased as injection timing was advanced. Moreover, a sudden decrease in CO emission was observed at early injection timings. Multi-dimensional numerical simulations, pressure-based measurements of ignition delay and apparent heat release, estimates of peak flame temperature, imaging of natural combustion luminosity and spray/wall interactions, and Laser Doppler Velocimeter (LDV) measurements of in-cylinder turbulence levels are employed to clarify the sources of the observed behavior.

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 effects of different Research Octane Number [RON] fuels on a multi-cylinder light-duty compression ignition [CI] engine were investigated at light load conditions. Experiments were conducted on a GM 1.9L 4-cylinder diesel engine at Argonne National Laboratory, using two different fuels, i.e., 75 RON and 93 RON. Emphasis was placed on 5 bar BMEP load, 2000 rev/min engine operation using two different RON fuels, and 2 bar BMEP load operating at 1500 rev/min using 75 RON gasoline fuel. The experiments reveal difficulty in controlling combustion at low load points using the higher RON fuel. In order to explain the experimental trends, simulations were carried out using the KIVA3V-Chemkin Computational Fluid Dynamics [CFD] Code. The numerical results were validated with the experimental results and provided insights about the engine combustion characteristics at different speeds and low load conditions using different fuels.

Sources of unburned hydrocarbon (UHC) emissions are examined for a highly dilute (10% oxygen concentration), moderately boosted (1.5 bar), low load (3.0 bar IMEP) operating condition in a single-cylinder, light-duty, optically accessible diesel engine undergoing partially-premixed low-temperature combustion (LTC). The evolution of the in-cylinder spatial distribution of UHC is observed throughout the combustion event through measurement of liquid fuel distributions via elastic light scattering, vapor and liquid fuel distributions via laser-induced fluorescence, and velocity fields via particle image velocimetry (PIV). The measurements are complemented by and contrasted with the predictions of multi-dimensional simulations employing a realistic, though reduced, chemical mechanism to describe the combustion process.

Due to concerns regarding pollutant and CO2 emissions, advanced combustion modes that can simultaneously reduce exhaust emissions and improve thermal efficiency have been widely investigated. The main characteristic of the new combustion strategies, such as HCCI and LTC, is that the formation of a homogenous mixture or a controllable stratified mixture is required prior to ignition. The major issue with these approaches is the lack of a direct method for the control of ignition timing and combustion rate, which can be only indirectly controlled using high EGR rates and/or lean mixtures. Homogeneous Charge Progressive Combustion (HCPC) is based on the split-cycle principle. Intake and compression phases are performed in a reciprocating external compressor, which drives the air into the combustor cylinder during the combustion process, through a transfer duct. A transfer valve is positioned between the compressor cylinder and the transfer duct.

An optimization study combining multidimensional CFD modeling and a global, evolutionary search technique known as the Genetic Algorithm has been carried out. The subject of this study was a 2-stroke, spark-ignited, direct-injection, single-cylinder research engine (SCRE). The goal of the study was to optimize the part load operating parameters of the engine in order to achieve the lowest possible emissions, improved fuel economy, and reduced wall heat transfer. Parameters subject to permutation in this study were the start-of-injection (SOI) timing, injection duration, spark timing, fuel injection angle, dwell between injections, and the percentage of fuel mass in the first injection pulse. The study was comprised of three cases. All simulations were for a part load, intermediate-speed condition representing a transition operating regime between stratified charge and homogeneous charge operation.

An emissions and performance study was conducted to explore the effects of EGR and multiple injections on particulate, NOx, and BSFC. EGR is known to be effective at reducing NOx, but at high loads there is usually a large increase in particulate. Recent work has shown that multiple injections are effective at reducing particulate. Thus, it was of interest to examine the possibility of simultaneously reducing particulate and NOx with the combined use of EGR and multiple injections. The tests were conducted on a fully instrumented single cylinder version of the Caterpillar 3406 heavy duty truck engine. Tests were done at high load (75% of peak torque at 1600 RPM where EGR has been shown to produce unacceptable increases in particulate emissions. The fuel system used was an electronically controlled, common rail injector and supporting hardware. The fuel system was capable of up to four independent injections per cycle.

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.

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.

Progress on the development and validation of a CFD model for diesel engine combustion and flow is described. A modified version of the KIVA code is used for the computations, with improved submodels for liquid breakup, drop distortion and drag, spray/wall impingement with rebounding, sliding and breaking-up drops, wall heat transfer with unsteadiness and compressibility, multistep kinetics ignition and laminar-turbulent characteristic time combustion models, Zeldovich NOx formation, and soot formation with Nagle Strickland-Constable oxidation. The code also considers piston-cylinder-liner crevice flows and allows computations of the intake flow process in the realistic engine geometry with two moving intake valves. Significant progress has been made using a modified RNG k-ε turbulence model, and a multicomponent fuel vaporization model and a flamelet combustion model have been implemented.

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.

Sustainable PCI combustion was achieved in a light-duty diesel engine through the installation of a 120° spray angle nozzle and modeling-generated piston bowl geometry developed for compatibility with early start-of-injection timings. Experimental studies were conducted to determine favorable settings for boost pressure, SOI timing, and EGR rate at 2000 rev/min, 5 bar BMEP. An optimal SOI timing was discovered at 43° BTDC where soot and NOx emissions were reduced 89% and 86%, respectively. A 10% increase in fuel consumption was attributed to increased HC and CO emissions as well as non-optimal combustion phasing. Combustion noise was sufficiently attenuated through the use of high EGR rates. The maximum attainable load for PCI combustion was limited by the engine's peak cylinder pressure and cylinder pressure rise rate constraints.

It is well known that the accuracy of simulations of combustion processes in diesel and spark ignited (SI) engines depends on the initial conditions within the cylinder at intake valve closure (IVC). Residual gas affects the engine combustion processes through its influence on charge mass, temperature and dilution. In SI engines, there is little oxygen in the residual gas, and thus the dilution effect on flame propagation is more significant than in compression ignited (CI) engines. However, in CI engines, the ignition delay depends strongly on the in-cylinder gas temperature, which is proportional to the gas temperature at IVC. Furthermore, ignition delay is significantly affected by how much oxygen is present, which is also partly determined by the residual gas fraction. Therefore, it is of extreme importance to determine residual gas concentrations accurately.