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A simple thermodynamically based engine design tool is developed to allow engine designers to start with the engine peak pressure limit, desired IMEP, and restraints on rate of pressure rise and thus generate an idealized Wire-Frame cylinder pressure cycle. After conversion into crank-angle based pressures, the apparent heat release rate (AHRR) is generated. The resulting AHRR1 represents an idealized heat release rate which is required to achieve the engine performance goals. This target AHRR is thus known prior to engine testing and serves as a guide to HCCI combustion test engineers. Using the Wire-Frame cycle tool, the ideal heat release rate for HCCI combustion is identified. For low IMEP, this is a single mode HRR centered at TDC. However, for medium and high loads, a second mode of combustion is required to achieve maximum efficiency and retain the benefits of HCCI combustion. The second combustion mode ramps up to maintain the cylinder pressure at the desired firing pressure.

A numerical simulation and optimization study was conducted for a medium speed direct injection diesel engine. The engine's operating characteristics were first matched to available experimental data to test the validity of the numerical model. The KIVA-3V ERC CFD code was then modified to allow independent spray events from two rows of nozzle holes. The angular alignment, nozzle hole size, and injection pressure of each set of nozzle holes were optimized using a micro-genetic algorithm. The design fitness criteria were based on a multi-variable merit function with inputs of emissions of soot, NOx, unburned hydrocarbons, and fuel consumption targets. Penalties to the merit function value were used to limit the maximum in-cylinder pressure and the burned gas temperature at exhaust valve opening. The optimization produced a 28.4% decrease in NOx and a 40% decrease in soot from the baseline case, while giving a 3.1% improvement in fuel economy.

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.

Low-temperature combustion concepts that utilize cooled EGR, early/retarded injection, high swirl ratios, and modest compression ratios have recently received considerable attention. To understand the combustion and, in particular, the soot formation process under these operating conditions, a modeling study was carried out using the KIVA-3V code with an improved phenomenological soot model. This multi-step soot model includes particle inception, surface growth, surface oxidation, and particle coagulation. Additional models include a piston-ring crevice model, the KH/RT spray breakup model, a droplet wall impingement model, a wall heat transfer model, and the RNG k-ε turbulence model. The Shell model was used to simulate the ignition process, and a laminar-and-turbulent characteristic time combustion model was used for the post-ignition combustion process.

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.

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.

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.

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.

Optimizations were performed on a Heavy-Duty diesel engine equipped with a conventional electronic unit injector in order to minimize fuel consumption, and emissions of NOx and particulate matter. A low speed light load case and a high speed light load case were optimized with these considerations in mind. Exhaustive parametric studies were performed in order to find sets of operating conditions that resulted in low emissions and high fuel economy. It was found for the low speed light load case (Mode 2, 25% load and 821 rev/min) that low emissions operating conditions existed at either very early or very late start-of-injection timings and high EGR (PM = 0.018 g/kW-hr, NOx + HC = 1.493 g/kW-hr with SOI = -21 degrees ATDC, 48% EGR; or 0.085 g/kW-hr PM, 1.02 g/kW-hr NOx with SOI = 4 degrees ATDC, 39% EGR).

To overcome the trade-off between NOx and particulate emissions for future diesel vehicles and engines it is necessary to seek methods to lower pollutant emissions. The desired simultaneous improvement in fuel efficiency for future DI (Direct Injection) diesels is also a difficult challenge due to the combustion modifications that will be required to meet the exhaust emission mandates. This study demonstrates the emission reduction capability of split injections, EGR (Exhaust Gas Recirculation), and other parameters on a High Speed Direct Injection (HSDI) diesel engine equipped with a common rail injection system using an RSM (Response Surface Method) optimization method. The optimizations were conducted at 1757 rev/min, 45% load. Six factors were considered for the optimization, namely the EGR rate, SOI (Start of Injection), intake boost pressure, and injection pressure, the percentage of fuel in the first injection, and the dwell between injections.

The present study investigated HCCI combustion in a heavy-duty diesel engine both experimentally and numerically. The engine was equipped with a hollow-cone pressure-swirl injector using gasoline direct injection. Characteristics of HCCI combustion were obtained by very early injection with a heated intake charge. Experimental results showed an increase in NOx emission and a decrease in UHC as the injection timing was retarded. It was also found that optimization can be achieved by controlling the intake temperature together with the start-of-injection timing. The experiments were modeled by using an engine CFD code with detailed chemistry. The CHEMKIN code was implemented into KIVA-3V such that the chemistry and flow solutions were coupled. The model predicted ignition timing, cylinder pressure, and heat release rates reasonably well. The NOx emissions were found to increase as the injection timing was retarded, in agreement with experimental results.

Controlling start of ignition in Homogenous Charge Compression Ignition (HCCI) engines remains a major challenge. Here we have investigated changes in intake charge composition and its effects on ignition delay for natural gas based HCCI engine operation. In particular, we have investigated the effects of small amounts of nitrogen dioxide (NO2) on operating characteristics. Previous research had shown that NOx presence might attenuate natural gas ignition. The hypothesized catalytic effect of NOx on methane ignition at HCCI conditions was experimentally confirmed in a custom built engine. The problem was further studied in both zero and multidimensional numerical engine simulations with detailed chemistry. The simulations were used to complete a reaction rate sensitivity analysis to elucidate the controlling chemistry, and further confirm that a significant shift in ignition phasing is produced with the addition of just several ppm by volume of NO2 or NOx (NO + NO2).

A direct injection-gasoline (DI-G) system was applied to a heavy-duty diesel-type engine to study the effects of charge stratification on the performance of premixed compression ignited combustion. The effects of the fuel injection parameters on combustion phasing were of primary interest. The simultaneous effects of the fuel stratification on Unburned Hydrocarbon (UHC), Oxides of Nitrogen (NOx), Carbon Monoxide (CO), and smoke emissions were also measured. Engine tests were conducted with altered injection parameters covering the entire load range of normally aspirated Homogeneous Charge Compression Ignited (HCCI) combustion. Combustion phasing tests were also conducted at several engine speeds to evaluate its effects on a fuel stratification strategy.

A spray model for pressure-swirl atomizers that is based on a linearized instability analysis of liquid sheets has been combined with an ignition and combustion model for stratified charge spark ignition engines. The ignition model has been advanced, such that the presence of dual spark plugs can now be accounted for. Independent validation of the spray model is achieved by investigating a pressure-swirl injector inside a pressure bomb containing air at ambient temperature. In a second step, the complete model is used to estimate the performance of a small marine DISI Two-Stroke engine operating in stratified charge mode. Simulation results and experimental data are compared for several different injection timings and the agreement is generally good such that there is confidence in the predictive quality of the combustion model. Finally the model is applied in a conceptual study to investigate possible benefits of split injections.

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.

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.

Two-Color imaging optics were developed and used to observe soot emission processes in a modern heavy-duty diesel engine. The engine was equipped with a common rail, electronically-controlled, high-pressure fuel injection system that is capable of up to four injection pulses per engine cycle. The engine was instrumented with an endoscope system for optical access for the combustion visualization. Multidimensional combustion and soot modeling results were used for comparisons to enhance the understanding and interpretation of the experimental data. Good agreement between computed and measured cylinder pressures, heat release and soot and NOx emissions was achieved. In addition, good qualitative agreement was found between in-cylinder soot concentration (KL) and temperature fields obtained from the endoscope images and those obtained from the multidimensional modeling.

A two-dimensional transient Heat Conduction in Components code (HCC) was successfully set up and extensively used to calculate the temperature field existing in real engine combustion chambers. The Saul'yev method, an explicit, unconditionally stable finite difference method, was used in the code. Consideration of the gasket between the cylinder wall and head, and the air gap between the piston and liner were included in the code. The realistic piston bowl shape was modeled with a grid transformation and piston movement was considered. The HCC code was used to calculate the wall temperature of an Isuzu ceramic engine and a Caterpillar heavy-duty diesel engine. The code was combined with the KIVA-II code in an iterative loop, in which the KIVA-II code provided the instantaneous local heat flux on the combustion chamber surfaces, and the HCC code computed the time-averaged wall temperature distribution on the surfaces.

Previous studies have shown that air motion affects the combustion process and therefore also the emissions in a DI diesel engine. Experimental studies indicate that higher engine speeds enhance the turbulence and this improves air and fuel mixing. However, there are few studies that address fundamental combustion related factors and possible limitations associated with very high speed engine operation. In this study, operation over a large range of engine speeds was simulated by using a multi-dimensional computer code to study the effect of speed on emissions, engine power, engine and exhaust temperatures. The results indicate that at higher engine speeds fuel is consumed in a much shorter time period by the enhanced air and fuel mixing. The shorter combustion duration provides much less available time for soot and NOx formations. In addition, the enhanced air/fuel mixing decreases soot and NOx by reducing the extent of the fuel rich regions.

Engine experiments have shown that with high-pressure multiple injections (two or more injection pulses per power cycle), the soot-NOx trade-off curves of a diesel engine can be shifted closer to the origin than those with the conventional single-pulse injections, reducing both soot and NOx emissions significantly. In order to understand the mechanism of emissions reduction, multidimensional computations were carried out for a heavy-duty diesel engine with multiple injections. Different injection schemes were considered, and the predicted cylinder pressure, heat release rate and soot and NOx emissions were compared with measured data. Excellent agreements between predictions and measurements were achieved after improvements in the models were made. The improvements include using a RNG k-ε turbulence model, adopting a new wall heat transfer model and introducing the nozzle discharge coefficient to account for the contraction of fuel jet at the nozzle exit.