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A computer simulation of the Homogenous Charge Compression Ignition (HCCI) four-stroke engine has been developed for combustion and performance studies. The simulation couples models for mass, species, and energy within a zero-dimensional framework. The combustion process is described via a user-defined chemical kinetic mechanism. The CHEMKIN libraries have been used to formulate a stiff chemical kinetic solver suitable for integration within a complete engine cycle simulation, featuring models of gas exchange, turbulence and wall heat transfer. For illustration, two chemical kinetics schemes describing hydrogen and natural gas chemistry have been implemented in the code. The hydrogen scheme is a reduced one, consisting of 11 species and 23 reactions. The natural gas chemistry is described via the GRI-mechanism 3.0 that considers 53 species and 325 reactions, including NOx chemistry.

A prototype chromel-alumel overlapping thin-film thermocouple (TFTC) has been developed for transient heat transfer measurements in ceramic-coated combustion chambers. The TFTC has been evaluated using various metallurgical techniques such as scanning electron microscopy, energy dispersive x-ray detection, and Auger electron spectroscopy. The sensor was calibrated against a standard thermocouple in ice, boiling water, and a furnace at 1000°C. The microstructural and chemical analysis of the thin-films showed the alumel film composition was very similar to the bulk material, while the chromel film varied slightly. An initial set of ceramic plug surface temperatures was taken while motoring and firing the engine at 1900 rpm to verify thermocouple operation. The data shows a 613 K mean temperature and a 55 K swing for the ceramic surface compared with a 493 K mean temperature and a 20 K swing for the metal surface at the same location.

We have developed a methodology for analysis of Premixed Charge Compression Ignition (PCCI) engines that applies to conditions in which there is some stratification in the air-fuel distribution inside the cylinder at the time of combustion. The analysis methodology consists of two stages: first, a fluid mechanics code is used to determine temperature and equivalence ratio distributions as a function of crank angle, assuming motored conditions. The distribution information is then used for grouping the mass in the cylinder into a two-dimensional (temperature-equivalence ratio) array of zones. The zone information is then handed on to a detailed chemical kinetics model that calculates combustion, emissions and engine efficiency information. The methodology applies to situations where chemistry and fluid mechanics are weakly linked.

Five small two-stroke engine designs were tested at different air/fuel ratios, under steady state and transient cycles. The effects of combustion chamber design, carburetor design, lean burning, and fuel composition on performance, hydrocarbon and carbon monoxide emissions were studied. All tested engines had been designed to run richer than stoichiometric in order to obtain satisfactory cooling and higher power. While hydrocarbon and carbon monoxide emissions could be greatly reduced with lean burning, engine durability would be worsened. However, it was shown that the use of a catalytic converter with acceptably lean combustion was an effective method of reducing emissions. Replacing carburetion with in-cylinder fuel injection in one of the engines resulted in a significant reduction of hydrocarbon and carbon monoxide emissions.

Degreening is crucial in obtaining a stable catalyst prior to assessing its performance characteristics. This paper characterizes the light-off behavior and conversion efficiency of a Diesel Oxidation Catalyst (DOC) during the degreening process. A platinum DOC is degreened for 16 hours in the presence of actual diesel engine exhaust at 650°C and 10% water (H2O) concentration. The DOC's activity for carbon monoxide (CO) and for total hydrocarbons (THC) conversion is checked at 0, 1, 2, 3, 4, 6, 8, 10, 12, and 16 hours of degreening. Pre-and post-catalyst hydrocarbon species are analyzed via gas chromatography at 0, 4, 8, and 16 hours of degreening. It is found that both light-off temperature and species-resolved conversion efficiencies change rapidly during the first 8 hours of degreening and then stabilize to a large degree. T50, the temperature where the catalyst is 50% active towards a particular species, increases by 14°C for CO and by 11°C for THC through the degreening process.

Homogenous Charge Compression Ignition (HCCI) engines offer a good potential for achieving high fuel efficiency while virtually eliminating NOx and soot emissions from the exhaust. However, realizing the full fuel economy potential at the vehicle level depends on the size of the HCCI operating range. The usable HCCI range is determined by the knock limit on the upper end and the misfire limit at the lower end. Previously proven high sensitivity of the HCCI process to thermal conditions leads to a hypothesis that combustion chamber deposits (CCD) could directly affect HCCI combustion, and that insight about this effect can be helpful in expanding the low-load limit. A combustion chamber conditioning process was carried out in a single-cylinder gasoline-fueled engine with exhaust re-breathing to study CCD formation rates and their effect on combustion. Burn rates accelerated significantly over the forty hours of running under typical HCCI operating conditions.

This paper analyzes and compares reactor and engine behavior of a diesel oxidation catalyst (DOC) in the presence of conventional diesel exhaust and low temperature premixed compression ignition (PCI) diesel exhaust. Surrogate exhaust mixtures of n-undecane (C11H24), ethene (C2H4), CO, O2, H2O, NO and N2 are defined for conventional and PCI combustion and used in the gas flow reactor tests. Both engine and reactor tests use a DOC containing platinum, palladium and a hydrocarbon storage component (zeolite). On both the engine and reactor, the composition of PCI exhaust increases light-off temperature relative to conventional combustion. However, while nominal conditions are similar, the catalyst behaves differently on the two experimental setups. The engine DOC shows higher initial apparent HC conversion efficiencies because the engine exhaust contains a higher fraction of trappable (i.e., high boiling point) HC.

This paper discusses the compression ratio influence on maximum load of a Natural Gas HCCI engine. A modified Volvo TD100 truck engine is controlled in a closed-loop fashion by enriching the Natural Gas mixture with Hydrogen. The first section of the paper illustrates and discusses the potential of using hydrogen enrichment of natural gas to control combustion timing. Cylinder pressure is used as the feedback and the 50 percent burn angle is the controlled parameter. Full-cycle simulation is compared to some of the experimental data and then used to enhance some of the experimental observations dealing with ignition timing, thermal boundary conditions, emissions and how they affect engine stability and performance. High load issues common to HCCI are discussed in light of the inherent performance and emissions tradeoff and the disappearance of feasible operating space at high engine loads.

An experimental study was conducted to investigate the effects of elevated piston temperature on deposit growth patterns in a spark-ignition (SI) engine. A series of thermocouple-instrumented, insulated piston designs was developed for controlling and in-situ monitoring of deposit growth on the piston surface. Upon stabilization of deposit growth, a physical and chemical analysis of deposits from different locations was conducted. It was shown that localized deposit growth correlated strongly with rates of change of temperature at the same locations. At the end of an accelerated 18-hour test schedule using a premium unleaded fuel without reformer bottoms, a 4 μm reduction in average deposit thickness was achieved by elevating the piston surface temperature from 215 °C to 264 °C. No measurable deposit growth was obtained when operating with a critical wall surface temperature of 320 °C and the base unleaded fuel.

Premixed low temperature combustion (LTC) in diesel engines simultaneously reduces soot and NOx at the expense of increased hydrocarbon (HC) and CO emissions. The use of biodiesel in the LTC regime has been shown to produce lower HC emissions than petroleum diesel; however, unburned methyl esters from biodiesel are more susceptible to particulate matter (PM) formation following atmospheric dilution due to their low volatility. In this study, the efficacy of a production-type diesel oxidation catalyst (DOC) for the conversion of light hydrocarbons species and heavier, semi-volatile species like those in unburned fuel is examined. Experimental data were taken from a high speed direct-injection diesel engine operating in a mid-load, late injection partially premixed LTC mode on ultra-low sulfur diesel (ULSD) and neat soy-based biodiesel (B100). Gaseous emissions were recorded using a conventional suite of analyzers and individual light HCs were measured using an FT-IR analyzer.

Natural gas quality, in terms of the volume fraction of higher hydrocarbons, strongly affects the auto-ignition characteristics of the air-fuel mixture, the engine performance and its controllability. The influence of natural gas composition on engine operation has been investigated both experimentally and through chemical kinetic based cycle simulation. A range of two component gas mixtures has been tested with methane as the base fuel. The equivalence ratio (0.3), the compression ratio (19.8), and the engine speed (1000 rpm) were held constant in order to isolate the impact of fuel autoignition chemistry. For each fuel mixture, the start of combustion was phased near top dead center (TDC) and then the inlet mixture temperature was reduced. These experimental results have been utilized as a source of data for the validation of a chemical kinetic based full-cycle simulation.

A novel framework for intelligent design of engine systems is introduced. Existing models of engine components and processes are integrated into a multi-purpose, flexible configuration framework. Fundamental thermodynamic elements, including zero-dimensional control volumes, one-dimensional pulsating fluid lines, and continuous flow machines are identified as the constituting components of engine systems. Models of the behavior of these elements, with various degrees of thermodynamic resolution, have been implemented into the framework. The task of the engine designer is, thus, reduced into selecting appropriate thermodynamic elements to model his engine system based on his design objectives. The applicability of the present framework to a wide range of simulation problems is demonstrated.

This paper reports the development of a model of diesel combustion and NO emissions, based on a modified eddy dissipation concept (EDC), and its implementation into the KIVA-3V multidimensional simulation. The EDC model allows for more realistic representation of the thin sub-grid scale reaction zone as well as the small-scale molecular mixing processes. Realistic chemical kinetic mechanisms for n-heptane combustion and NOx formation processes are fully incorporated. A model based on the normalized fuel mass fraction is implemented to transition between ignition and combustion. The modeling approach has been validated by comparison with experimental data for a range of operating conditions. Predicted cylinder pressure and heat release rates agree well with measurements. The predictions for NO concentration show a consistent trend with experiments. Overall, the results demonstrate the improved capability of the model for predictions of the combustion process.

The effect of natural gas composition on ignition delay has been investigated numerically by using detailed and reduced chemical kinetic mechanisms. Three different blends of natural gas have been analyzed at pressures and temperatures that are typical of top dead center conditions in compression ignition engines. The predicted ignition delay shows a decrease with temperature in an Arrhenius manner and has a first order dependence on pressure. Similar trends have been observed by Naber et al. [1] in their experimental study of natural gas autoignition in a bomb. It is shown that two kinetic mechanisms (GRI-Mech 1.2 and reduced set DRM22) are best capable of predicting the ignition delay of natural gas under compression ignition conditions. The DRM22 mechanism has been chosen for further studies as t involves lower computational costs compared to the full GRI-Mech 1.2 mechanism.

The heat release and pollutant formation processes in a direct injection natural gas engine are studied by coupling detailed chemistry with a multi-dimensional reactive flow code. A detailed kinetic mechanism consisting of 22 species and 104 elementary reactions is chosen by comparing ignition delay predictions with measurements in a combustion bomb. The ignition model is then coupled with a turbulent combustion model and extended Zeldovich kinetics to simulate heat release and nitric oxide production in a direct injection engine. Parametric studies are conducted to investigate the effect of engine operating conditions which include speed, load, injection timing and level of boost. It is shown that use of detailed chemistry is extremely important to predict the correct ignition delay period as engine operating conditions change. Use of both time and crank angle as the independent variable reveals interesting details of the heat release process as a function of engine speed.

This work reports the development and application of multi-dimensional ignition, combustion and emissions models that account for detailed chemistry and mixing effects in a direct injection engine simulation. A detailed chemical reaction mechanism, consisting of 24 species and 104 reactions, is used for increased accuracy of emissions predictions. Turbulent combustion is represented using a modified Eddy Dissipation Concept (EDC) model to account for mixing effects. The soot model includes all aspects of soot formation and destruction. Particle transport equations are used to realistically track transport of the soot particles formed. All computational sub-models developed in this work have been implemented in a modified version of the KIVA-3V code. In order to illustrate the behavior of the new models, soot and NO emissions have been predicted at different operating conditions by varying injection timing, exhaust gas recirculation (EGR) and injection pressure.

A detailed chemical kinetic mechanism, consisting of 22 species and 104 elementary reactions, has been used in conjunction with the multi-dimensional reactive flow code KIVA-3 to study autoignition of natural gas injected under compression ignition conditions. Calculations for three different blends of natural gas are performed on a three-dimensional computational grid by modeling both the injection and ignition processes. Ignition delay predictions at pressures and temperatures typical of top-dead-center conditions in compression ignition engines compare well with the measurements of Naber et al. [1] in a combustion bomb. Two different criteria, based on pressure rise and mass of fuel burned, are used to detect the onset of ignition. Parametric studies are conducted to show the effect of additives like ethane and hydrogen peroxide in increasing the fuel consumption rate.

An experimental study has been carried out to provide qualitative and quantitative insight into gas to wall heat transfer in a gasoline fueled Homogeneous Charge Compression Ignition (HCCI) engine. Fast response thermocouples are embedded in the piston top and cylinder head surface to measure instantaneous wall temperature and heat flux. Heat flux measurements obtained at multiple locations show small spatial variations, thus confirming relative uniformity of in-cylinder conditions in a HCCI engine operating with premixed charge. Consequently, the spatially-averaged heat flux represents well the global heat transfer from the gas to the combustion chamber walls in the premixed HCCI engine, as confirmed through the gross heat release analysis. Heat flux measurements were used for assessing several existing heat transfer correlations. One of the most popular models, the Woschni expression, was shown to be inadequate for the HCCI engine.

Direct injection of natural gas under high pressure conditions has emerged as a promising option for improving engine fuel economy and emissions. However, since the gaseous injection technology is new, limited experience exists as to the optimum configuration of the injection system and associated combustion chamber design. The present study uses KIVA-3 based, multidimensional modeling to improve the understanding and assist the optimization of the gaseous injection process. Compared to standard k-ε models, a Renormalization Group Theory (RNG) based k-ε model [1] has been found to be in better agreement with experiments in predicting gaseous penetration histories for both free and confined jet configurations. Hence, this validated RNG model is adopted here to perform computations in realistic engine geometries.

Piston heat transfer measurements were taken under varying knock intensity in a modern spark-ignition engine combustion chamber. For a range of knocking spark timings, two knock intensity levels were obtained by using a high (80°C) and a low (50°C) cylinder head coolant temperature. Data were taken with a central and a side spark plug configuration. When the spark-plug was placed at the center of the combustion chamber, a linear variation of peak heat flux with knock intensity was found in the end-gas region. Very large changes in peak heat flux (on the order of 100%) occurred at probes whose relative location with respect to the end gas zone changed from being within (80°C coolant case) to being outside the zone (50°C coolant case). With side spark-plug, distinct differences in peak heat flux occurred at all probes and under all knock intensities, but the correlation between knock intensity and heat flux was not linear.