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While gasoline surrogate development has progressed in the areas of more complex surrogate mixtures and in kinetic modeling tools and mechanism development, it is generally recognized that further development is still needed. This paper represents a small step in supporting this development by providing comparisons between experimental engine data and surrogate-based kinetic models. In our case, the HCCI engine data comes from a port-injected, single-cylinder research engine with intake-air heating for combustion phasing control. Timing sweeps were run at constant fuel rate for three market gasolines and five surrogate mixtures. Modeling was done using the CHEMKIN software with a gasoline mechanism set containing 1440 species and 6572 reactions. Five pure compounds were selected for the surrogate blends and include iso-octane, n-heptane, toluene, methylcyclohexane, and 1-hexene.

A phenomenological description, or “conceptual model,” of how direct-injection (DI) diesel combustion occurs has been derived from laser-sheet imaging and other recent optical data. To provide background, the most relevant of the recent imaging data of the author and co-workers are presented and discussed, as are the relationships between the various imaging measurements. Where appropriate, other supporting data from the literature is also discussed. Then, this combined information is summarized in a series of idealized schematics that depict the combustion process for a typical, modern-diesel-engine condition. The schematics incorporate virtually all of the information provided by our recent imaging data including: liquid- and vapor-fuel zones, fuel/air mixing, autoignition, reaction zones, and soot distributions.

A combined experimental and modeling study has been conducted to investigate the sources of CO and HC emissions (and the associated combustion inefficiencies) at low-loads. Engine performance and emissions were evaluated as fueling was reduced from knocking conditions to very low loads (ϕ = 0.28 - 0.04) for a variety of operating conditions, including: various intake temperatures, engine speeds, compression ratios, and a comparison of fully premixed and GDI (gasoline-type direct injection) fueling. The experiments were conducted in a single-cylinder engine (0.98 liters) using iso-octane as the fuel. Comparative computations were made using a single-zone model with the full chemistry mechanisms for iso-octane, to determine the expected behavior of the bulk-gases for the limiting case of no heat transfer, crevices, or charge inhomogeneities.

Combustion phasing is one important issue that must be addressed for HCCI operation. The intake temperature can be adjusted to achieve ignition at the desired crank angle. However, heat-transfer during induction will make the effective intake temperature different from the temperature measured in the runner. Also, depending on the engine speed and port configuration, dynamic flow effects cause various degrees of charge heating. Additionally, residuals from the previous cycle can have significant influence on the charge temperature at the beginning of the compression stroke. Finally, direct injection of fuel will influence the charge temperature since heat is needed for vaporization. This study investigates these effects in a systematic manner with a combination of experiment and cycle simulation using WAVE from Ricardo.

Designing advanced, clean and fuel-efficient engines requires detailed understanding of fuel chemistry. While knowledge of fuel combustion chemistry has grown rapidly in recent years, the representation of conventional fossil fuels in full detail is still intractable. A popular approach is to use a model-fuel or surrogate blend that can mimic various characteristics of a conventional fuel. Despite the use of surrogate blends, there remains a gap between detailed chemistry and its utilization in computational fluid dynamics (CFD), due to the prohibitive computational cost of using thousands of chemical species in large numbers of computational cells. This work presents a set of software tools that help to enable the use of detailed chemistry in representing conventional fuels in CFD simulation. The software tools include the Surrogate Blend Optimizer and a suite of automated mechanism reduction strategies.

Autoignition of the five distinct isomers of hexane is studied experimentally under motored engine conditions and computationally using a detailed chemical kinetic reaction mechanism. Computed and experimental results are compared and used to help understand the chemical factors leading to engine knock in spark-ignited engines and the molecular structure factors contributing to octane rating for hydrocarbon fuels. The kinetic model reproduces observed variations in critical compression ratio with fuel structure, and it also provides intermediate and final product species concentrations in much better agreement with observed results than has been possible previously. In addition, the computed results provide insights into the kinetic origins of fuel octane sensitivity.

This paper studies autoignition characteristics and HCCI engine combustion of ketone fuels, which are important constituents of recently discovered fungi-derived biofuels. Two ketone compounds, 2,4-dimethyl-3-pentanone (DMPN) and cyclopentanone (CPN), are systematically investigated in the Sandia HCCI engine, and the results are compared with conventional gasoline and neat ethanol. It is found that CPN has the lowest autoignition reactivity of all the biofuels and gasoline blends tested in this HCCI engine. The combustion timing of CPN is also the most sensitive to intake-temperature (Tin) variations, and it is almost insensitive to intake-pressure (Pin) variations. These characteristics and the overall HCCI performance of CPN are similar to those of ethanol. In contrast, DMPN shows multi-faceted autoignition characteristics. On the one hand, DMPN has strong temperature-sensitivity, even at boosted Pin, which is similar to the low-reactivity ethanol and CPN.

This study investigates the potential of partial fuel stratification for reducing the knocking propensity of intake-boosted HCCI engines operating on conventional gasoline. Although intake boosting can substantially increase the high-load capability of HCCI, these engines would be more production-viable if the knock/stability load limit could be extended to allow higher loads at a given boost and/or to provide even higher thermal efficiencies. A technique termed partial fuel stratification (PFS) has recently been shown to greatly reduce the combustion-induced pressure-rise rate (PRR), and therefore the knocking propensity of naturally aspirated HCCI, when the engine is fueled with a φ-sensitive, two-stage-ignition fuel. The current work explores the potential of applying PFS to boosted HCCI operation using conventional gasoline, which does not typically show two-stage ignition. Experiments were conducted in a single-cylinder HCCI research engine (0.98 liters) at 1200 rpm.

High-load HCCI combustion has recently been demonstrated with conventional gasoline using intake pressure boosting. The key is to control the high combustion heat release rates (HRR) by using combustion timing retard and mixture stratification. However, at naturally aspirated and moderately boosted conditions, these techniques did not work well due to the low autoignition reactivity of conventional gasoline at these conditions. This work studies a low-octane distillate fuel with similar volatility to gasoline, termed Hydrobate, for its potential in HCCI engine combustion at naturally aspirated and low-range boosted conditions. The HCCI combustion with fully premixed and partially stratified charges was examined at intake pressures (Pin) from 100 to 180 kPa and constant intake temperature (60°C) and engine speed (1200 rpm).

The potential of boosted HCCI for achieving high loads has been investigated for intake pressures (Piⁿ) from 100 kPa (naturally aspirated) to 325 kPa absolute. Experiments were conducted in a single-cylinder HCCI research engine (0.98 liters) equipped with a compression-ratio 14 piston at 1200 rpm. The intake charge was fully premixed well upstream of the intake, and the fuel was a research-grade (R+M)/2 = 87-octane gasoline with a composition typical of commercial gasolines. Beginning with Piⁿ = 100 kPa, the intake pressure was systematically increased in steps of 20 - 40 kPa, and for each Piⁿ, the fueling was incrementally increased up to the knock/stability limit, beyond which slight changes in combustion conditions can lead to strong knocking or misfire. A combination of reduced intake temperature and cooled EGR was used to compensate for the pressure-induced enhancement of autoignition and to provide sufficient combustion-phasing retard to control knock.

Long chain alcohols possess major advantages over the currently used ethanol as bio-components for gasoline, including higher energy content, better engine compatibility, and less water solubility. The rapid developments in biofuel technology have made it possible to produce C 4 -C 5 alcohols cost effectively. These higher alcohols could significantly expand the biofuel content and potentially substitute ethanol in future gasoline mixtures. This study characterizes some fundamental properties of a C 5 alcohol, isopentanol, as a fuel for HCCI engines. Wide ranges of engine speed, intake temperature, intake pressure, and equivalence ratio are investigated. Results are presented in comparison with gasoline or ethanol data previously reported. For a given combustion phasing, isopentanol requires lower intake temperatures than gasoline or ethanol at all tested speeds, indicating a higher HCCI reactivity.

The development of detailed chemical kinetic reaction mechanisms for analysis of autoignition and knocking of complex hydrocarbon fuels is described. The wide ranges of temperature and pressure which are encountered by end gases in automobile engine combustion chambers result in extreme demands on the reaction mechanisms intended to describe knocking conditions. The reactions and chemical species which are most important in each temperature and pressure regime are discussed, and the validation of these reaction mechanisms through comparison with idealized experimental results is described. The use of these mechanisms is illustrated through comparisons between computed results and experimental data obtained in actual knocking engines.

Chemiluminescence imaging has been applied to a parametric investigation of diesel autoignition. Time-resolved images of the natural light emission were made in an optically accessible DI diesel engine of the heavy-duty size class using an intensified CCD video camera. Measurements were obtained at a base operating condition, corresponding to a motored TDC temperature and density of 992 K and 16.6 kg/m3, and for TDC temperatures and densities above and below these values. Data were taken with a 42.5 cetane number blend of the diesel reference fuels for all conditions, and measurements were also made with no. 2 diesel fuel (D2) at the base condition. For each condition, temporal sequences of images were acquired from the time of first detectable chemiluminescence up through fully sooting combustion, and the images were analyzed to obtain quantitative measurements of the average emission intensity.

To gain a better understanding of how the onset of incomplete bulk-gas reactions changes with engine speed and fuel-type, a parametric study of HCCI combustion and emissions has been conducted. The experimental part of the study was performed at naturally aspirated conditions and included fueling sweeps at four engine speeds (600, 1200, 1800 and 2400 rpm) for research grade gasoline, pure iso-octane and two mixtures of the primary reference fuels (i.e. n-heptane and iso-octane) with octane numbers of 80 and 60. Additionally, single-zone CHEMKIN computations with a detailed mechanism for iso-octane were conducted. The results show that there is a strong coupling between the ignition quality of the fuel and the required intake temperature to phase the combustion at TDC. There is also a direct influence of intake temperature on the completeness of combustion. This is the case because the CO-to-CO2 reactions are highly sensitive to the peak combustion temperatures.

Two methods for mitigating unacceptably high HCCI heat-release rates are investigated and compared in this combined experimental/CFD work. Retarding the combustion phasing by decreasing the intake temperature is found to have good potential for smoothing heat-release rates and reducing engine knock. There are at least three reasons for this: 1) lower combustion temperatures, 2) less pressure rise when the combustion is occurring during the expansion stroke, and 3) the natural thermal stratification increases around TDC. However, overly retarded combustion leads to unstable operation with partial-burn cycles resulting in high IMEPg variations and increased emissions. Enhanced natural thermal stratification by increased heat-transfer rates was explored by lowering the coolant temperature from 100 to 50°C. This strategy substantially decreased the heat-release rates and lowered the knocking intensity under certain conditions.

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.

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.

The development of detailed chemical kinetic reaction mechanisms for analysis of autoignition and knocking of hydrocarbon fuels is described. In particular, kinetic processes of concern for the oxidation of complex hydrocarbon fuel molecules are emphasized. The wide ranges of temperature and pressure which are encountered by end gases in automobile engine combustion chambers result in extreme demands on reaction mechanisms which are intended to describe knocking conditions and predict rates of combustion and ignition. The reactions and chemical species which are most important in each temperature and pressure regime are discussed, and the validation of these reaction mechanisms through comparison with idealized experimental results is described.

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.

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.