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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.

We have conducted a detailed numerical analysis of HCCI engine operation at low loads to investigate the sources of HC and CO emissions and the associated combustion inefficiencies. Engine performance and emissions are evaluated as fueling is reduced from typical HCCI conditions, with an equivalence ratio ϕ = 0.26 to very low loads (ϕ = 0.04). Calculations are conducted using a segregated multi-zone methodology and a detailed chemical kinetic mechanism for iso-octane with 859 chemical species. The computational results agree very well with recent experimental results. Pressure traces, heat release rates, burn duration, combustion efficiency and emissions of hydrocarbon, oxygenated hydrocarbon, and carbon monoxide are generally well predicted for the whole range of equivalence ratios. The computational model also shows where the pollutants originate within the combustion chamber, thereby explaining the changes in the HC and CO emissions as a function of equivalence ratio.

A multi-zone model has been developed that accurately predicts HCCI combustion and emissions. The multi-zone methodology is based on the observation that turbulence does not play a direct role on HCCI combustion. Instead, chemical kinetics dominates the process, with hotter zones reacting first, and then colder zones reacting in rapid succession. Here, the multi-zone model has been applied to analyze the effect of piston crevice geometry on HCCI combustion and emissions. Three different pistons of varying crevice size were analyzed. Crevice sizes were 0.26, 1.3 and 2.1 mm, while a constant compression ratio was maintained (17:1). The results show that the multi-zone model can predict pressure traces and heat release rates with good accuracy. Combustion efficiency is also predicted with good accuracy for all cases, with a maximum difference of 5% between experimental and numerical results.

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.

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.

This paper proposes a structure for the diesel combustion process based on a combination of previously published and new results. Processes are analyzed with proven chemical kinetic models and validated with data from production-like direct injection diesel engines. The analysis provides new insight into the ignition and particulate formation processes, which combined with laser diagnostics, delineates the two-stage nature of combustion in diesel engines. Data are presented to quantify events occurring during the ignition and initial combustion processes that form soot precursors. A framework is also proposed for understanding the heat release and emission formation processes.

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.

Isopentanol is an advanced biofuel that can be produced by micro-organisms through genetically engineered metabolic pathways. Compared to the more frequently studied ethanol, isopentanol's molecular structure has a longer carbon chain and includes a methyl branch. Its volumetric energy density is over 30% higher than ethanol, and it is less hygroscopic. Some fundamental combustion properties of isopentanol in an HCCI engine have been characterized in a recent study by Yang and Dec (SAE 2010-01-2164). They found that for typical HCCI operating conditions, isopentanol lacks two-stage ignition properties, yet it has a higher HCCI reactivity than gasoline. The amount of intermediate temperature heat release (ITHR) is an important fuel property, and having sufficient ITHR is critical for HCCI operation without knock at high loads using intake-pressure boosting. Isopentanol shows considerable ITHR, and the amount of ITHR increases with boost, similar to gasoline.

The combustion behavior of conventional gasoline has been numerically investigated by means of detailed chemical-kinetic modeling simulations, with particular emphasis on analyzing the chemistry of the intermediate temperature heat release (ITHR). Previous experimental work on highly boosted (up to 325 kPa absolute) HCCI combustion of gasoline (SAE 2020-01-1086) showed a steady increase in the charge temperature up to the point of hot ignition, even for conditions where the ignition point was retarded well after top dead center (TDC). Thus, sufficient energy was being released by early pre-ignition reactions resulting in temperature rise during the early part of the expansion stroke This behavior is associated with a slow pre-ignition heat release (ITHR), which is critical to keep the engine from misfiring at the very late combustion phasings required to prevent knock at high-load boosted conditions.

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.

Gasoline consists of many different classes of hydrocarbons, such as paraffins, olefins, aromatics, and cycloalkanes. In this study, a surrogate gasoline reaction mechanism is developed, and it has one representative fuel constituent from each of these classes. These selected constituents are iso-octane, n-heptane, 1-pentene, toluene, and methyl-cyclohexane. The mechanism was developed in a step-wise fashion, adding submechanisms to treat each fuel component. Reactions important for low temperature oxidation (<1000K) and cross-reactions among different fuels are incorporated into the mechanism. The mechanism consists of 1328 species and 5835 reactions. A single-zone engine model is used to evaluate how well the mechanism captures autoignition behavior for conditions corresponding to homogeneous charge compression ignition (HCCI) engine operation.

This paper illustrates the applicability of a sequential fluid mechanics, multi-zone chemical kinetics model to analyze HCCI experimental data for two combustion chamber geometries with different levels of turbulence: a low turbulence disc geometry (flat top piston), and a high turbulence square geometry (piston with a square bowl). The model uses a fluid mechanics code to determine temperature histories in the engine as a function of crank angle. These temperature histories are then fed into a chemical kinetic solver, which determines combustion characteristics for a relatively small number of zones (40). The model makes the assumption that there is no direct linking between turbulence and combustion. The multi-zone model yields good results for both the disc and the square geometries. The model makes good predictions of pressure traces and heat release rates.

We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. This methodology combines a detailed fluid mechanics code with a detailed chemical kinetics code. Instead of directly linking the two codes, which would require an extremely long computational time, the methodology consists of first running the fluid mechanics code to obtain temperature profiles as a function of time. These temperature profiles are then used as input to a multi-zone chemical kinetics code. The advantage of this procedure is that a small number of zones (10) is enough to obtain accurate results. This procedure achieves the benefits of linking the fluid mechanics and the chemical kinetics codes with a great reduction in the computational effort, to a level that can be handled with current computers.

We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. The methodology judiciously uses a fluid mechanics code followed by a chemical kinetics code to achieve great reduction in the computational requirements; to a level that can be handled with current computers. In previous papers, our sequential, multi-zone methodology has been applied to HCCI combustion of short-chain hydrocarbons (natural gas and propane). Applying the same procedure to long-chain hydrocarbons (iso-octane) results in unacceptably long computational time. In this paper, we show how the computational time can be made acceptable by developing a segregated solver. This reduces the run time of a ten-zone problem by an order of magnitude and thus makes it much more practical to make combustion studies of long-chain hydrocarbons.

It has previously been shown experimentally and computationally that the process of Homogeneous Charge Compression Ignition (HCCI) is very dependent on the pre-combustion gas temperature field. This study looks in detail at how temperature fields can evolve by comparing results of two combustion chamber designs, a piston with a square bowl and a disk shaped piston, and relates these temperature fields to measured HCCI combustion durations. The contributions of combustion chamber surface area and turbulence levels to the gas temperature evolution are considered over the crank angle range from intake valve closure to top-dead-center. This is a CFD study, whose results were transformed into traditional analysis methods of convective heat transfer (q=h*A*ΔT) and boundary layers.