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Sources of unburned hydrocarbon (UHC) emissions are examined for a highly dilute (10% oxygen concentration), moderately boosted (1.5 bar), low load (3.0 bar IMEP) operating condition in a single-cylinder, light-duty, optically accessible diesel engine undergoing partially-premixed low-temperature combustion (LTC). The evolution of the in-cylinder spatial distribution of UHC is observed throughout the combustion event through measurement of liquid fuel distributions via elastic light scattering, vapor and liquid fuel distributions via laser-induced fluorescence, and velocity fields via particle image velocimetry (PIV). The measurements are complemented by and contrasted with the predictions of multi-dimensional simulations employing a realistic, though reduced, chemical mechanism to describe the combustion process.

The objective of this research is a detailed investigation of multiple injections in a highly-dilute diesel low temperature combustion (LTC) regime. This research concentrates on understanding the performance and emissions benefits of multiple injections via experiments and simulations in a 0.48L signal cylinder light-duty engine operating at 2000 r/min and 5.5 bar IMEP. Controlled experiments in the single-cylinder engine are then combined with three computational tools, namely heat release analysis of measured cylinder pressure, a phenomenological spray model using in-cylinder thermodynamics [1], and KIVA-3V Chemkin CFD computations recently tested at LTC conditions [2]. This study examines the effects of fuel split distribution, injection event timing, rail pressure, and boost pressure which are each explored within a defined operation range in LTC.

The objective of this research is a detailed investigation of unburned hydrocarbon (UHC) in a highly-dilute diesel low temperature combustion (LTC) regime. This research concentrates on understanding the mechanisms that control the formation of UHC via experiments and simulations in a 0.48L signal-cylinder light duty engine operating at 2000 r/min and 5.5 bar IMEP with multiple injections. A multi-gas FTIR along with other gas and smoke emissions instruments are used to measure exhaust UHC species and other emissions. Controlled experiments in the single-cylinder engine are then combined with three computational tools, namely heat release analysis of measured cylinder pressure, analysis of spray trajectory with a phenomenological spray model using in-cylinder thermodynamics [1], and KIVA-3V Chemkin CFD computations recently tested at LTC conditions [2].

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.

A numerical model is used to examine the chemical kinetic processes leadING to knocking in spark-ignition internal combustion engines. The construction and validation of the model is described in detail, including low temperature reaction paths involving alkylperoxy radical isomerization. The numerical model is applied to C1 to C7 paraffinic hydrocarbon fuels, and a correlation is developed between the Research Octane Number (RON) and the computed time of ignition for each fuel. Octane number is shown to depend on the rates of OH radical production through isomerization reactions, and factors influencing the rate of isomerization such as fuel molecule size and structure are interpreted in terms of the kinetic model. knock behavior of fuel mixtures is examined, and the manner in which pro-knock and anti-knock additives influence ignition is studied numerically. The kinetics of methyl tert-butyl ether (MTBE) is discussed in particular detail.

More stringent emissions regulations are continually being proposed to mitigate adverse human health and environmental impacts of internal combustion engines. With that in mind, it has been proposed that vehicular particulate matter (PM) emissions should be regulated based on particle number in addition to particle mass. One aspect of this project is to study different sample handling methods for number-based aerosol measurements, specifically, two different methods for removing volatile organic compounds (VOCs). One method is a thermodenuder (TD) and the other is an evaporative chamber/diluter (EvCh). These sample-handling methods have been implemented in an engine test cell with a spark-ignited direct injection (SIDI) engine. The engine was designed for stoichiometric, homogeneous combustion.

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.

Diesel particulate samples were collected from a light duty engine operated at a single speed-load point with a range of biodiesel and conventional fuel blends. The oxidation reactivity of the samples was characterized in a laboratory reactor, and BET surface area measurements were made at several points during oxidation of the fixed carbon component of both types of particulate. The fixed carbon component of biodiesel particulate has a significantly higher surface area for the initial stages of oxidation, but the surface areas for the two particulates become similar as fixed carbon oxidation proceeds beyond 40%. When fixed carbon oxidation rates are normalized to total surface area, it is possible to describe the oxidation rates of the fixed carbon portion of both types of particulates with a single set of Arrhenius parameters. The measured surface area evolution during particle oxidation was found to be inconsistent with shrinking sphere oxidation.

Multi-dimensional computational efforts using comprehensive and skeletal kinetics have been made to investigate the cool flame region in HCCI combustion. The work was done in parallel to an experimental study that showed the impact of the negative temperature coefficient and the cool flame on the start of combustion using different fuels, which is now the focus of the simulation work. Experiments in a single cylinder CFR research engine with n-butane and a primary reference fuel with an octane number of 70 (PRF 70) were modeled. A comparison of the pressure and heat release traces of the experimental and computational results shows the difficulties in predicting the heat release in the cool flame region. The behavior of the driving radicals for two-stage ignition is studied and is compared to the behavior for a single-ignition from the literature. Model results show that PRF 70 exhibits more pronounced cool flame heat release than n-butane.

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.

A series of engine experiments have been performed to explore the impact intake temperature, engine speed and fuel composition on the HCCI operating range of a CFR engine. The experimental matrix covers a range of engine speeds 600 - 2000 RPM), intake temperatures (300 K - 400 K), and four different fuels. Three of the fuels had different chemical composition but had equivalent research octane numbers of 91.8. The fourth fuel, a blend of primary reference fuels had a research octane number of 70. The acceptable HCCI operating range of the engine was defined through two criteria; the rate of pressure rise needed to be less than 10 MPa per crank angle and the covariance of the indicated mean effective pressure needed to be less than 10 percent. Using these limits the HCCI operating range for the engine was evaluated for the experimental matrix. Data for emissions, and fuel consumption as well as in-cylinder pressure were recorded.

A single cylinder CFR research engine has been run in HCCI combustion mode for a range of temperatures and fuel compositions. The data indicate that the best HCCI operation, as measured by a combination of successful combustion with low ISFC, occurs at or near the rich limit of operation. Analysis of the pressure and heat release histories indicated the presence, or absence, and impact of the fuel's NTC ignition behavior on establishing successful HCCI operation. The auto-ignition trends observed were in complete agreement with previous results found in the literature. Furthermore, analysis of the importance of the fuel's octane sensitivity, through assessment of an octane index, successfully explained the changes in the fuels auto-ignition tendency with changes in engine operating conditions.

An experimental study was carried out to investigate the effects of fuel injection timing on detailed chemical composition and size distributions of diesel particulate matter (PM) and regulated gaseous emissions in a modern heavy-duty D.I. diesel engine. These measurements were made for two different diesel fuels: No. 2 diesel (Fuel A) and ultra low sulfur diesel (Fuel B). A single-cylinder 2.3-liter D.I. diesel engine equipped with an electronically controlled unit injection system was used in the experiments. PM measurements were made with an enhanced full-dilution tunnel system at the Engine Research Center (ERC) of the University of Wisconsin-Madison (UW-Madison) [1, 2]. The engine was run under 2 selected modes (25% and 75% loads at 1200 rpm) of the California Air Resources Board (CARB) 8-mode test cycle.

The objective of this research is a detailed investigation of particulate sizing and number count from a spark-ignited, direct-injection (SIDI) engine at different operating conditions. The engine is a 549 [cc] single-cylinder, four-valve engine with a flat-top piston, fueled by Tier II EEE. A baseline engine operating condition, with a low number of particulates, was established and repeatability at this condition was ascertained. This baseline condition is specified as 2000 rpm, 320 kPa IMEP, 280 [°bTDC] end of injection (EOI), and 25 [°bTDC] ignition timing. The particle size distributions were recorded for particle sizes between 7 and 289 [nm]. The baseline particle size distribution was relatively flat, around 1E6 [dN/dlogDp], for particle diameters between 7 and 100 [nm], before dropping off to decreasing numbers at larger diameters. Distributions resulting from a matrix of different engine conditions were recorded.

Significant amounts of particle-phase organic compounds are present in the exhaust of diesel vehicles. It is believed that some of these compounds have a greater impact on human health and the environment than other compounds. Therefore, it is of significant importance to speciate particle-phase organic compounds of diesel particulate matter (PM) to clarify the effects of PM on human health and the environment, and to understand the mechanisms of organic compounds formation in PM. A dilution source sampling system was incorporated into the exhaust measurement system of a single-cylinder heavy-duty direct-injection (D.I.) diesel engine. This system was designed specifically to collect fine organic aerosols from diesel exhaust. The detailed system is described in Kweon et al. [27].

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.

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.

Engine operation with blended SRC-II and pyridine doped diesel fuel were compared relative to regular #2 diesel fuel in a 4-stroke, turbocharged, direct injection, high speed commercial diesel engine. The brake specific fuel consumption, (M-Joule/hp-hr), turbocharging, combustion characteristics and smoke did not change between blended SRC-II and regular #2 diesel fuel. This was expected since the sample fuels were blended to be of the same cetane number. The maximum torque, hydrocarbon and NOx emissions were higher for blended SRC-II. There was essentially no difference in the NOx measurements of the pyridine doped fuel and regular #2 diesel fuel. The NOx emission increase for the blended SRC-II is believed to be caused by the increased aromatic content of the blended SRC-II and not the fuel nitrogen conversion.

Experimentally obtained energy release results, a semi-empirical ignition model, and an empirical energy release equation developed during this research were used to evaluate the combustion of compression-ignited homogeneous mixtures of fuel, air, and exhaust products in a CFR engine. A systematic study was carried out to evaluate the response of compression-ignited homogeneous charge (CIHC) combustion to changes in operating parameters with emphasis being placed on the phenomena involved rather than the detailed chemical kinetics. This systematic study revealed that the response of the combustion process to changes in operating parameters can be explained in terms of known chemical kinetics, and that through the proper use of temperature and species concentrations the oxidation kinetics of hydrocarbon fuels can be sufficiently controlled to allow an engine to be operated in a compression-ignited homogeneous charge combustion mode.

The heat release type models have been classified as zero-dimensional because they have no spatial resolution and therefore don't contain any information on the fluid mechanics in them. They have been a significant contribution because they incorporate the rate processes occurring in the engine and are an aid in the analysis of the data. Because they are thermodynamic models it is necessary to define the control volumes on which the thermodynamic analysis is to be performed. The different control volume descriptions, called one, two and three zone models, and the analysis of the combustion event using these models is discussed. Finally a description of second law zero-dimensional models is given. These models have similar limitations as the First Law models; no spatial resolution and a control volume definition is required. These models are useful because they enable one to analyze the magnitude of the losses that occur in the different processes which comprise the engine cycle.