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We describe a CHEMKIN-based multi-zone model that simulates the expected combustion variations in a single-cylinder engine fueled with iso-octane as the engine transitions from spark-ignited (SI) combustion to homogenous charge compression ignition (HCCI) combustion. The model includes a 63-species reaction mechanism and mass and energy balances for the cylinder and the exhaust flow. For this study we assumed that the SI-to-HCCI transition is implemented by means of increasing the internal exhaust gas recirculation (EGR) at constant engine speed. This transition scenario is consistent with that implemented in previously reported experimental measurements on an experimental engine equipped with variable valve actuation. We find that the model captures many of the important experimental trends, including stable SI combustion at low EGR (~0.10), a transition to highly unstable combustion at intermediate EGR, and finally stable HCCI combustion at very high EGR (~0.75).

High-load HCCI operation is typically limited by rapid pressure-rise rates (PRR) and engine knock caused by an overly rapid heat-release rate (HRR). Exhaust gas recirculation (EGR) is commonly used in HCCI engines, and it is often stated in the literature that charge dilution with EGR (or high levels of retained residuals) is beneficial for reducing the PRR to allow higher loads without knock. However, EGR/retained-residuals affect other operating parameters such as combustion phasing, which can in turn influence the PRR independently from any effect of the EGR gases themselves. Because of the multiple effects of EGR, its direct benefit for reducing the PRR is not well understood. In this work, the effects of EGR on the PRR were isolated by controlling the combustion phasing independently from the EGR addition by adjusting the intake temperature. The experiments were conducted using gasoline as the fuel at a 1200 rpm operating condition.

Now more than ever, the increasing strictness of environmental regulation and the stronger need of higher efficiency standards are pushing for the development of cleaner and energy-efficient powertrains. HCCI engines are suitable candidates to achieve these objectives. Understanding the autoignition process and how it is affected by operating conditions is central to the development of these engines. In addition to experiments, detailed kinetic modeling represents a very effective tool for gaining deeper insight into the fundamentals of HCCI autoignition and combustion. Indeed, modeling activities are today widely used in engine design, allowing a significant reduction in prototype development costs and providing a valuable support to the improvement of control strategies.

We have converted a Caterpillar 3406 natural gas spark ignited engine to HCCI mode and used it as a test bed for demonstrating advanced control methodologies. Converting the engine required modification of most engine systems: piston geometry, starting, fueling, boosting, and (most importantly) controls. We implemented a thermal management system consisting of a recuperator that transfers heat from exhaust to intake gases and a dual intake manifold that permits precise cylinder-by-cylinder ignition control. Advanced control methodologies are used for (1) minimizing cylinder-to-cylinder combustion timing differences caused by small variations in temperature or compression ratio; (2) finding the combustion timing that minimizes fuel consumption; and (3) tuning the controller parameters to improve transient response.

This work explores how the high-load limits of HCCI are affected by fuel autoignition reactivity, EGR quality/composition, and EGR unmixedness for naturally aspirated conditions. This is done for PRF80 and PRF60. The experiments were conducted in a single-cylinder HCCI research engine (0.98 liters) with a CR = 14 piston installed. By operating at successively higher engine loads, five load-limiting factors were identified for these fuels: 1) Residual-NOx-induced run-away advancement of the combustion phasing, 2) EGR-NOx-induced run-away, 3) EGR-NOx/wall-heating induced run-away 4) EGR-induced oxygen deprivation, and 5) excessive partial-burn occurrence due to EGR unmixedness. The actual load-limiting factor is dependent on the autoignition reactivity of the fuel, the EGR quality level (where high quality refers to the absence of trace species like NO, HC and CO, i.e. simulated EGR), the level of EGR unmixedness, and the selected pressure-rise rate (PRR).

A planar temperature imaging diagnostic has been developed and applied to an investigation of naturally occurring thermal stratification in an HCCI engine. Natural thermal stratification is critical for high-load HCCI operation because it slows the combustion heat release; however, little is known about its development or distribution. A tracer-based single-line PLIF imaging technique was selected for its good precision and simplicity. Temperature-map images were derived from the PLIF images, based on the temperature sensitivity of the fluorescence signal of the toluene tracer added to the fuel. A well premixed intake charge assured that variations in fuel/air mixture did not affect the signal. Measurements were made in a single-cylinder optically accessible HCCI research engine (displacement = 0.98 liters) at a typical 1200 rpm operating condition. Since natural thermal stratification develops prior to autoignition, all measurements were made for motored operation.

Detailed exhaust speciation measurements were made on an HCCI engine fueled with iso-octane over a range of fueling rates, and over a range of fuel-stratification levels. Fully premixed fueling was used for the fueling sweep. This sweep extended from a fuel/air equivalence ratio (ϕ) of 0.28, which is sufficiently high to achieve a combustion efficiency of 96%, down to a below-idle fueling rate of ϕ = 0.08, with a combustion efficiency of only 55%. The stratification sweep was conducted at an idle fueling rate, using an 8-hole GDI injector to vary stratification from well-mixed conditions for an early start of injection (SOI) (40°CA) to highly stratified conditions for an SOI well up the compression stroke (325°CA, 35°bTDC-compression). The engine speed was 1200 rpm. At each operating condition, exhaust samples were collected and analyzed by GC-FID for the C1 and C2 hydrocarbon (HC) species and by GC-MS for all other species except formaldehyde and acetaldehyde.

One way to increase the load range in an HCCI engine is to increase boost pressure. In this modeling study, we investigate the effect of increased boost pressure on the fuel chemistry in an HCCI engine. Computed results of HCCI combustion are compared to experimental results in a HCCI engine. We examine the influence of boost pressure using a number of different detailed chemical kinetic models - representing both pure compounds (methylcyclohexane, cyclohexane, iso-octane and n-heptane) and multi-component models (primary reference fuel model and gasoline surrogate fuel model). We examine how the model predictions are altered by increased fueling, as well as reaction rate variation, and the inclusion of residuals in our calculations. In this study, we probe the low temperature chemistry (LTC) region and examine the chemistry responsible for the low-temperature heat release (LTHR) for wide ranges of intake boost pressure.

This work explores the high-load limits of HCCI for naturally aspirated operation. This is done for three fuels with various autoignition reactivity: iso-octane, PRF80, and PRF60. The experiments were conducted in a single-cylinder HCCI research engine (0.98 liter displacement), mostly with a CR = 14 piston installed, but with some tests at CR = 18. Five load-limiting factors were identified: 1) NOx-induced combustion-phasing run-away, 2) wall-heating-induced run-away, 3) EGR-induced oxygen deprivation, 4) wandering unsteady combustion, and 5) excessive exhaust NOx. These experiments at 1200 rpm show that the actual load-limiting factor is dependent on the autoignition reactivity of the fuel, the selected CA50, and in some cases, the tolerable level of NOx emissions. For iso-octane, which has the highest resistance to autoignition of the fuels tested, the NOx emissions become unacceptable at IMEPg = 473 kPa.

This paper investigates flow and combustion in a full-cycle simulation of a four-stroke, three-valve HCCI engine by visualizing the flow with pathlines. Pathlines trace massless particles in a transient flow field. In addition to visualization, pathlines are used here to trace the history, or evolution, of flow fields and species. In this study evolution is followed from the intake port through combustion. Pathline analysis follows packets of intake charge in time and space from induction through combustion. The local scalar fields traversed by the individual packets in terms of velocity magnitude, turbulence, species concentration and temperatures are extracted from the simulation results. The results show how the intake event establishes local chemical and thermal environments in-cylinder and how the species respond (chemically react) to the local field.

Multi-zone CFD simulations with detailed kinetics were used to model iso-octane HCCI experiments performed on a single-cylinder research engine. The modeling goals were to validate the method (multi-zone combustion modeling) and the reaction mechanism (LLNL 857 species iso-octane) by comparing model results to detailed exhaust speciation data, which was obtained with gas chromatography. The model is compared to experiments run at 1200 RPM and 1.35 bar boost pressure over an equivalence ratio range from 0.08 to 0.28. Fuel was introduced far upstream to ensure fuel and air homogeneity prior to entering the 13.8:1 compression ratio, shallow-bowl combustion chamber of this 4-stroke engine. The CFD grid incorporated a very detailed representation of the crevices, including the top-land ring crevice and head-gasket crevice. The ring crevice is resolved all the way into the ring pocket volume. The detailed grid was required to capture regions where emission species are formed and retained.

Fuel stratification has been investigated as a means of improving the low-load combustion efficiency in an HCCI engine. Several stratification techniques were examined: different GDI injectors, increased swirl, and changes in injection pressure, to determine which parameters are effective for improving the combustion efficiency while maintaining NOx emissions below U.S. 2010 limits. Performance and emission measurements were obtained in an all-metal engine. Corresponding fuel distribution measurements were made with fuel PLIF imaging in a matching optically accessible engine. The fuel used was iso-octane, which is a good surrogate for gasoline. For an idle fueling rate (ϕ = 0.12), combustion efficiency was improved substantially, from 64% to 89% at the NOx limit, using delayed fuel injection with a hollow-cone injector at an injection pressure of 120 bar.

Homogenous Charge Compression Ignition (HCCI) is a new engine technology with fundamental differences over conventional engines. HCCI engines are intrinsically fuel flexible and can run on low-grade fuels as long as the fuel can be heated to the point of ignition. In particular, HCCI engines can run on “wet ethanol:” ethanol-in-water mixtures with high concentration of water, such as the high water content ethanol-in-water mixture that results from fermentation of corn mash. Considering that much of the energy required for processing fermented ethanol is spent in distillation and dehydration, direct use of wet ethanol in HCCI engines considerably shifts the energy balance in favor of ethanol.

EGR can be used beneficially to control combustion phasing in HCCI engines. To better understand the function of EGR, this study experimentally investigates the thermodynamic and chemical effects of real EGR, simulated EGR, dry EGR, and individual EGR constituents (N2, CO2, and H2O) on the autoignition processes. This was done for gasoline and various PRF blends. The data show that addition of real EGR retards the autoignition timing for all fuels. However, the amount of retard is dependent on the specific fuel type. This can be explained by identifying and quantifying the various underlying mechanisms, which are: 1) Thermodynamic cooling effect due to increased specific-heat capacity, 2) [O2] reduction effect, 3) Enhancement of autoignition due to the presence of H2O, 4) Enhancement or suppression of autoignition due to the presence of trace species such as unburned or partially-oxidized hydrocarbons.

Reaching for higher loads and improving combustion-phasing control are important challenges for HCCI research. Although HCCI engines can operate with a variety of fuels, recent research has shown that fuels with two-stage autoignition have some significant advantages for overcoming these challenges. Because the amount of low-temperature heat release (LTHR) is proportional to the local equivalence ratio (ϕ), fuel stratification can be used to adjust the combustion phasing (CA50) and/or burn duration using various fuel-injection strategies. Two-stage ignition fuels also allow stable combustion even for extensive combustion-phasing retard, which reduces the knocking propensity. Finally, the LTHR reduces the required intake temperature, which increases the inducted charge mass for a given intake pressure, allowing higher fueling rates before knocking and NOx emissions become a problem. However, the amount of LTHR is normally highly dependent on the engine speed.

To facilitate the growing interest in hydrogen combustion for internal combustion engines, computer models are being developed to simulate gaseous fuel injection, air entrainment and the ensuing combustion. This paper introduces a new method for modeling the injection and air entrainment processes for gaseous fuels. Modeling combustion is not covered in this paper. The injection model uses a gaseous sphere injection methodology, similar to liquid droplet injection techniques used for liquid fuel injection. In this paper, the model concept is introduced and model results are compared with correctly- and under-expanded experimental data.

We have developed an artificial neural network (ANN) based combustion model and have integrated it into a fluid mechanics code (KIVA3V) to produce a new analysis tool (titled KIVA3V-ANN) that can yield accurate HCCI predictions at very low computational cost. The neural network predicts ignition delay as a function of operating parameters (temperature, pressure, equivalence ratio and residual gas fraction). KIVA3V-ANN keeps track of the time history of the ignition delay during the engine cycle to evaluate the ignition integral and predict ignition for each computational cell. After a cell ignites, chemistry becomes active, and a two-step chemical kinetic mechanism predicts composition and heat generation in the ignited cells. KIVA3V-ANN has been validated by comparison with isooctane HCCI experiments in two different engines.

Homogeneous Charge Compression Ignition (HCCI) engines are currently of great interest as a future alternative to Diesel and Spark Ignition engines because of HCCI's potential to achieve high efficiency with very low NOx emissions. However, significant technical barriers remain to practical implementation of HCCI engines: difficult-to-control combustion, low power density, rapid pressure rise, and high hydrocarbon and carbon monoxide emissions. To overcome some of these barriers, operational strategies that involve relaxing the constraint of truly “homogeneous” HCCI combustion have been studied. The phrase “Premixed Charge Compression Ignition” or “PCCI” combustion can be used to describe this class of combustion processes, in which combustion occurs similarly to HCCI engines as a non-mixing controlled, chemical kinetics dominated, auto-ignition process, but the fuel, air, and residual gas mixture need not be homogeneous.

This work explores the potential of partial fuel stratification to smooth HCCI heat-release rates at high load. A combination of engine experiments and multi-zone chemical-kinetics modeling was used for this. The term “partial” is introduced to emphasize that care is taken to supply fuel to all parts of the in-cylinder charge, which is essential for reaching high power output. It was found that partial fuel stratification offers good potential to achieve a staged combustion event with reduced pressure-rise rates. Therefore, partial fuel stratification has the potential to increase the high-load limits for HCCI/SCCI operation. However, for the technique to be effective the crank-angle phasing of the “hot” ignition has to be sensitive to the local ϕ. Sufficient sensitivity was observed only for fuel blends that exhibit low-temperature heat release (like diesel fuel).

Chemiluminescence imaging has been applied to investigate the naturally occurring charge stratification in an HCCI engine. This stratification slows the pressure-rise rate (PRR) during combustion, making it critical to the high-load operating limit of these engines. Experiments were conducted in a single-cylinder HCCI engine modified with windows in the combustion chamber for optical access. Using this engine, chemiluminescence images were obtained from three different view angles. These included both single-shot images with intensified CCD cameras and high-speed (20kHz) sequences with an intensified CMOS video camera. The engine was fueled with iso-octane, which has been shown to be a reasonable surrogate for gasoline and exhibits only single-stage ignition at these naturally aspirated conditions. The chemiluminescence images show that the HCCI combustion is not homogeneous but has a strong turbulent structure even when the fuel and air are fully premixed prior to intake.