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Real transportation fuels, such as gasoline and diesel, are mixtures of thousands of different hydrocarbons. For multidimensional engine applications, numerical simulations of combustion of real fuels with all of the hydrocarbon species included exceeds present computational capabilities. Consequently, surrogate fuel models are normally utilized. A good surrogate fuel model should approximate the essential physical and chemical properties of the real fuel. In this work, we present a novel methodology for the formulation of surrogate fuel models based on local optimization and sensitivity analysis technologies. Within the proposed approach, several important fuel properties are considered. Under the physical properties, we focus on volatility, density, lower heating value (LHV), and viscosity, while the chemical properties relate to the chemical composition, hydrogen to carbon (H/C) ratio, and ignition behavior. An error tolerance is assigned to each property for convergence checking.

A computational study using multi-dimensional CFD modeling was performed to investigate the effects of physical properties on diesel engine combustion characteristics with bio-diesel fuels. Properties of typical bio-diesel fuels that were either calculated or measured are used in the study and the simulation results are compared with those of conventional diesel fuels. The sensitivity of the computational results to individual physical properties is also investigated, and the results provide information about the desirable characteristics of the blended fuels. The properties considered in the study include liquid density, vapor pressure, surface tension, liquid viscosity, liquid thermal conductivity, liquid specific heat, latent heat, vapor specific heat, vapor diffusion coefficient, vapor viscosity and vapor thermal conductivity. The results show significant effects of the fuel physical properties on ignition delay and burning rates at various engine operating conditions.

The light-medium load operating range (4-7 bar net IMEP) presents many challenges for advanced low temperature combustion strategies utilizing low cetane fuels (specifically, 87-octane gasoline) in light-duty, high-speed engines. The overly lean overall air-fuel ratio (Φ≺0.4) sometimes requires unrealistically high inlet temperatures and/or high inlet boost conditions to initiate autoignition at engine speeds in excess of 1500 RPM. The objective of this work is to identify and quantify the effects of variation in input parameters on overall engine operation. Input parameters including inlet temperature, inlet pressure, injection timing/duration, injection pressure, and engine speed were varied in a ~0.5L single-cylinder engine based on a production General Motors 1.9L 4-cylinder high-speed diesel engine.

An investigation of high speed direct injection (DI) compression ignition (CI) engine combustion fueled with gasoline injected using a triple-pulse strategy in the low temperature combustion (LTC) regime is presented. This work aims to extend the operation ranges for a light-duty diesel engine, operating on gasoline, that have been identified in previous work via extended controllability of the injection process. The single-cylinder engine (SCE) was operated at full load (16 bar IMEP, 2500 rev/min) and computational simulations of the in-cylinder processes were performed using a multi-dimensional CFD code, KIVA-ERC-Chemkin, that features improved sub-models and the Chemkin library. The oxidation chemistry of the fuel was calculated using a reduced mechanism for primary reference fuel combustion chosen to match ignition characteristics of the gasoline fuel used for the SCE experiments.

There is a significant global effort to study low temperature combustion (LTC) as a tool to achieve stringent emission standards with future light duty diesel engines. LTC utilizes high levels of dilution (i.e., EGR > 60% with <10%O2 in the intake charge) to reduce overall combustion temperatures and to lengthen ignition delay, This increased ignition delay provides time for fuel evaporation and reduces in-homogeneities in the reactant mixture, thus reducing NOx formation from local temperature spikes and soot formation from locally rich mixtures. However, as dilution is increased to the limits, HC and CO can significantly increase. Recent research suggests that CO emissions during LTC result from the incomplete combustion of under-mixed fuel and charge gas occurring after the premixed burn period [1, 2]1. The objective of the present work was to increase understanding of the HC/CO emission mechanisms in LTC at part-load.

The objective of this study is to increase fundamental understanding of the effects of fuel composition and properties on low temperature combustion (LTC) and to identify major properties that could enable engine performance and emission improvements, especially under high load conditions. A series of experiments and computational simulations were conducted under LTC conditions using 67% EGR with 9.5% inlet O₂ concentration on a single-cylinder version of the General Motors Corporation 1.9L direct injection diesel engine. This research investigated the effects of Cetane number (CN), volatility and total aromatic content of diesel fuels on LTC operation. The values of CN, volatility, and total aromatic content studied were selected in a DOE (Design of Experiments) fashion with each variable having a base value as well as a lower and higher level. Timing sweeps were performed for all fuels at a lower load condition of 5.5 bar net IMEP at 2000 rpm using a single-pulse injection strategy.

The present study attempted to model experimental results obtained on an optical engine at the Sandia National Laboratory. Measurements of in-cylinder unburned hydrocarbon (UHC) distributions were provided using advanced optical diagnostics on a near production type piston. Previous multidimensional modeling provided accurate pressure profiles and heat release rate (HRR) predictions. However, the experimental UHC distribution was not matched, and the model predicted UHC extending from the bowl into the squish region in the expansion stroke. To explore the causes of this discrepancy a parametric study was performed using a variety of initial conditions, boundary conditions and model constants to explore their effects on the UHC distribution. Of the initial conditions, the swirl ratio was found to have the biggest impact on the UHC distribution.

Homogeneous or partially premixed charge compression ignition combustion is considered to be an attractive alternative to traditional internal combustion engine operation because of its extremely low levels of pollutant emissions. However, since it is difficult to control the start of combustion timing, direct injection of fuel into the combustion chamber is often used for combustion phasing control, as well as charge preparation. In this paper, numerical simulations of compression ignition processes using gasoline fuel directly injected using a low pressure, hollow cone injector are presented. The multi-dimensional CFD code, KIVA3V, that incorporates various advanced sub-models and is coupled with CHEMKIN for modeling detailed chemistry, was used for the study. Simulation results of the spray behavior at various injection conditions were validated with available experimental data.

Homogeneous charge compression ignition (HCCI) combustion is considered to be an attractive alternative to traditional internal combustion engine operation because of its extremely low levels of pollutant emissions. However, there are several difficulties that must be overcome for HCCI practical use, such as difficult ignition timing controllability. Indeed, too early or too late ignition can occur with obvious drawbacks. In addition, the increase in cyclic variation caused by the ignition timing uncertainty can lead to uneven engine operation. As a way to solve the combustion phasing control problem, dual-fuel combustion has been proposed. It consists of a diesel pilot injection used to ignite a pre-mixture of gasoline (or other high octane fuel) and air. Although dual-fuel combustion is an attractive way to achieve controllable HCCI operation, few studies are available to help the understanding of its in-cylinder combustion behavior.

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.

In automotive industry it has been a challenge to retain diesel-like thermal efficiency while maintaining low emissions. Numerous studies have shown significant progress in achieving low emissions through the introduction of common-rail injection systems, multiple injections and exhaust gas recirculation and by using a high octane number fuel, like gasoline, to achieve adequate premixing. On the other hand, low temperature combustion strategies, like HCCI and PCCI, have also shown promising results in terms of reducing both NOx and soot emissions simultaneously. With the increasing capacity of computers, multi-dimensional CFD engine modeling enables a reasonably good prediction of combustion characteristics and pollutant emissions, which is the motivation behind the present research. The current research effort presents an optimization study of light-duty compression ignition engine performance, while meeting the emission regulation targets.

In order to extend the operability limit of the gasoline compression ignition (GCI) engine, as an avenue for low temperature combustion (LTC) regime, the effects of parametric variations of engine operating conditions on the performance of six-stroke GCI (6S-GCI) engine cycle are numerically investigated, using an in-house 3D CFD code coupled with high-fidelity physical sub-models along with the Chemkin library. The combustion and emissions were calculated using a skeletal chemical kinetics mechanism for a 14-component gasoline surrogate fuel. Authors’ previous study highlighted the effects of the variation of injection timing and split ratio on the overall performance of 6S-GCI engine and the unique mixing-controlled burning mode of the charge mixtures during the two additional strokes. As a continuing effort, the present study details the parametric studies of initial gas temperature, boost pressure, fuel injection pressure, compression ratio, and EGR ratio.

A numerical investigation of a six-stroke direct injection compression ignition engine operation in a low temperature combustion (LTC) regime is presented. The fuel employed is a gasoline-like oxygenated fuel consisting of 90% isobutanol and 10% diethyl ether (DEE) by volume to match the reactivity of conventional gasoline with octane number 87. The computational simulations of the in-cylinder processes were performed using a high-fidelity multidimensional in-house 3D CFD code (MTU-MRNT) with improved spray-sub models and CHEMKIN library. The combustion chemistry was described using a two-component (isobutanol and DEE) fuel model whose oxidation pathways were given by a reaction mechanism with 177 species and 796 reactions.

The effect of injection rate shape on spray evolution and emission characteristics is investigated and a methodology for active control of fuel injection is proposed. Extensive validation of advanced vaporization and primary jet breakup models was performed with experimental data before studying the effects of systematic changes of injection rate shape. Excellent agreement with the experiments was obtained for liquid and vapor penetration lengths, over a broad range of gas densities and temperatures. Also the predicted flame lift-off lengths of reacting diesel fuel sprays were in good agreement with the experiments. After the validation of the models, well-defined rate shapes were used to study the effect of injection rate shape on liquid and vapor penetration, flame lift-off lengths and emission characteristics.

In this study we identify components of a typical biodiesel fuel and estimate both their individual and mixed thermo-physical and transport properties. We then use the estimated mixture properties in computational simulations to gauge the extent to which combustion is modified when biodiesel is substituted for conventional diesel fuel. Our simulation studies included both conventional diesel combustion (DI) and premixed charge compression ignition (PCCI). Preliminary results indicate that biodiesel ignition is significantly delayed due to slower liquid evaporation, with the effects being more pronounced for DI than PCCI. The lower vapor pressure and higher liquid heat capacity of biodiesel are two key contributors to this slower rate of evaporation. Other physical properties are more similar between the two fuels, and their impacts are not clearly evident in the present study.

Optimizations were performed on a Heavy-Duty diesel engine equipped with a conventional electronic unit injector in order to minimize fuel consumption, and emissions of NOx and particulate matter. A low speed light load case and a high speed light load case were optimized with these considerations in mind. Exhaustive parametric studies were performed in order to find sets of operating conditions that resulted in low emissions and high fuel economy. It was found for the low speed light load case (Mode 2, 25% load and 821 rev/min) that low emissions operating conditions existed at either very early or very late start-of-injection timings and high EGR (PM = 0.018 g/kW-hr, NOx + HC = 1.493 g/kW-hr with SOI = -21 degrees ATDC, 48% EGR; or 0.085 g/kW-hr PM, 1.02 g/kW-hr NOx with SOI = 4 degrees ATDC, 39% EGR).

An investigation of high speed direct injection (DI) compression ignition (CI) engine combustion fueled with gasoline (termed GDICI for Gasoline Direct-Injection Compression Ignition) in the low temperature combustion (LTC) regime is presented. As an aid to plan engine experiments at full load (16 bar IMEP, 2500 rev/min), exploration of operating conditions was first performed numerically employing a multi-dimensional CFD code, KIVA-ERC-Chemkin, that features improved sub-models and the Chemkin library. The oxidation chemistry of the fuel was calculated using a reduced mechanism for primary reference fuel combustion. Operation ranges of a light-duty diesel engine operating with GDICI combustion with constraints of combustion efficiency, noise level (pressure rise rate) and emissions were identified as functions of injection timings, exhaust gas recirculation rate and the fuel split ratio of double-pulse injections.