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This paper shows how a computer can systematically remove non-essential chemical reactions from a large chemical kinetic mechanism. The computer removes the reactions based upon a single solution using a detailed mechanism. The resulting reduced chemical mechanism produces similar numerical predictions significantly faster than predictions that use the detailed mechanism. Specifically, a reduced chemical kinetics mechanism for iso-octane has been derived from a detailed mechanism by eliminating unimportant reaction steps and species. The reduced mechanism has been developed for the specific purpose of fast and accurate prediction of ignition timing in an HCCI engine. The reduced mechanism contains 199 species and 383 reactions, while the detailed mechanism contains 859 species and 3606 reactions. Both mechanisms have been used in numerical simulation of HCCI combustion.

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.

Homogeneous Charge Compression Ignition (HCCI) combustion is a process dominated by chemical kinetics of the fuel-air mixture. The hottest part of the mixture ignites first, and compresses the rest of the charge, which then ignites after a short time lag. Crevices and boundary layers generally remain too cold to react, and result in substantial hydrocarbon and carbon monoxide emissions. Turbulence has little effect on HCCI combustion, and may be most important as a factor in determining temperature gradients and boundary layer thickness inside the cylinder. The importance of thermal gradients inside the cylinder makes it necessary to use an integrated fluid mechanics-chemical kinetics code for accurate predictions of HCCI combustion. However, the use of a fluid mechanics code with detailed chemical kinetics is too computationally intensive for today's computers.

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.

The objective of this work is to develop a strategy to reduce the penalties in the diesel engine performance, fuel economy and HC and CO emissions, associated with the operation in the low temperature combustion regime. Experiments were conducted on a research high speed, single cylinder, 4-valve, small-bore direct injection diesel engine equipped with a common rail injection system under simulated turbocharged conditions, at IMEP = 3 bar and engine speed = 1500 rpm. EGR rates were varied over a wide range to cover engine operation from the conventional to the LTC regime, up to the misfiring point. The injection pressure was varied from 600 bar to 1200 bar. Injection timing was adjusted to cover three different LPPCs (Location of the Peak rate of heat release due to the Premixed Combustion fraction) at 10.5° aTDC, 5 aTDC and 2 aTDC. The swirl ratio was varied from 1.44 to 7.12. Four steps are taken to move from LTC to ALTC.

In 1990, Roy Douglas developed an analytical method to calculate the global air-to-fuel ratio of a two-stroke engine from exhaust gas emissions. While this method has considerable application to two-stroke engines, it does not permit the calculation of air-to-fuel ratios for oxygenated fuels. This study proposed modifications to the Roy Douglas method such that it can be applied to oxygenated fuels. The ISO #16183 standard, the modified Spindt method, and the Brettschneider method were used to evaluate the modifications to the Roy Douglas method. In addition, a trapped air-to-fuel ratio, appropriate for two-stroke engines, was also modified to incorporate oxygenated fuels. To validate the modified calculation method, tests were performed using a two-stroke carbureted and two-stroke direct injected marine outboard engine over a five-mode marine test cycle running indolene and low level blends of ethanol and iso-butanol fuels.

This research work has focused on measuring the effect of fuel/air mixing on performance and emissions for a homogeneous charge compression ignition engine running on propane. A laser instrument with a high-velocity extractive probe was used to obtain time-resolved measurements of the fuel concentration both at the intake manifold and from the cylinder for different levels of fuel-air mixing. Cylinder pressure and emissions measurements have been performed at these mixing levels. From the cylinder pressure measurements, the IMEP and peak cylinder pressure were found. The fuel-air mixing level was changed by adding the fuel into the intake system at different distances from the intake valve (40 cm and 120 cm away). It was found that at the intake manifold, the fuel and air were better mixed for the 120 cm fuel addition location than for the 40 cm location.

SunDiesel fuel is a biomass-to-liquid (BTL) fuel that may have certain attributes different from conventional diesel. In this investigation, 100% SunDiesel was tested both in a Mercedes A-Class (MY1999) diesel vehicle and a single-cylinder heavy-duty compression-ignition direct-injection engine. The SunDiesel's emissions and fuel consumption were significantly better than conventional diesel fuel, especially in nitrogen oxides (NOx) reduction. In the vehicle U.S. Environmental Protection Agency (EPA), Federal Test Procedure 75 (FTP-75), and New European Drive Cycle (NEDC) tests, the carbon dioxide emissions on a mile basis (g/mile) from SunDiesel fuel were almost 10% lower than the conventional diesel fuel. Similarly, in the single-cylinder engine steady-state tests, the reductions in brake specific NOx, carbon monoxide (CO), and particulate matter (PM) are equally significant. Combustion analysis, though not conclusive, indicates that there are differences deserving further research.

This paper describes the Homogeneous charge compression ignition (HCCI) research activities being currently pursued at Lawrence Livermore National Laboratory and at the University of California Berkeley. Current activities include analysis as well as experimental work. HCCI is an old combustion technology that may now be developed with expectations of high efficiency, low NOx, and low particulate matter emissions; in short, an alternative to diesel engines. On analysis, we have developed two powerful tools: a single zone model and a multi-zone model. The single zone model has proven very successful in predicting start of combustion and providing reasonable estimates for peak cylinder pressure, indicated efficiency and NOX emissions. This model is being applied to develop detailed engine performance maps and control strategies, and to analyze the problem of engine startability.

The potential exists to displace a portion of the petroleum diesel demand with butanol and positively impact engine-out particulate matter. As a preliminary investigation, 20% and 40% by volume blends of butanol with ultra low sulfur diesel fuel were operated in a 1999 Mercedes Benz C220 turbo diesel vehicle (Euro III compliant). Cold and hot start urban as well as highway drive cycle tests were performed for the two blends of butanol and compared to diesel fuel. In addition, 35 MPH and 55 MPH steady-state tests were conducted under varying road loads for the two fuel blends. Exhaust gas emissions, fuel consumption, and intake and exhaust temperatures were acquired for each test condition. Filter smoke numbers were also acquired during the steady-state tests. The results showed that for the urban drive cycle, both total hydrocarbon (THC) and carbon monoxide (CO) emissions increased as larger quantities of butanol were added to the diesel fuel.

Homogeneous Charge Compression Ignition (HCCI) engines are currently of great interest as a future alternative to Diesel and Spark Ignition engines because of HCCI's potential to achieve high efficiency with very low NOx emissions. However, significant technical barriers remain to practical implementation of HCCI engines: difficult-to-control combustion, low power density, rapid pressure rise, and high hydrocarbon and carbon monoxide emissions. To overcome some of these barriers, operational strategies that involve relaxing the constraint of truly “homogeneous” HCCI combustion have been studied. The phrase “Premixed Charge Compression Ignition” or “PCCI” combustion can be used to describe this class of combustion processes, in which combustion occurs similarly to HCCI engines as a non-mixing controlled, chemical kinetics dominated, auto-ignition process, but the fuel, air, and residual gas mixture need not be homogeneous.

The effects of different blends of Soybean Methyl Ester (biodiesel) and ultra low sulfur diesel (ULSD) fuel: B-00 (ULSD), B-20, B-40, B-60, B-80 and B-100 (biodiesel); on autoignition, combustion, performance, and engine out emissions of different species including particulate matter (PM) in the exhaust, were investigated in a single-cylinder, high speed direct injection (HSDI) diesel engine equipped with a common rail injection system. The engine was operated at 1500 rpm under simulated turbocharged conditions at 5 bar IMEP load with varied injection pressures at a medium swirl of 3.77 w ithout EGR. Analysis of test results was done to determine the role of biodiesel percentage in the fuel blend on the basic thermodynamic and combustion processes under fuel injection pressures ranging from 600 bar to 1200 bar.

The fuel injection pressure and the swirl motion have a great impact on combustion in small bore HSDI diesel engines running on the conventional or advanced combustion concepts. This paper examines the effects of injection pressure and the swirl motion on engine-out emissions over a wide range of EGR rates. Experiments were conducted on a single cylinder, 4-valve, direct injection diesel engine equipped with a common rail injection system. The pressures and temperatures in the inlet and exhaust surge tanks were adjusted to simulate turbocharged engine conditions. The load and speed of the engine were typical to highway cruising operation of a light duty vehicle. The experiments covered a wide range of injection pressures, swirl ratios and injection timings. Engine-out emission measurements included hydrocarbons, carbon monoxide, smoke (in Bosch Smoke Units, BSU) and NOx.

This research investigates how the handling of mixing and heat transfer in a multi-zone kinetic solver affects the prediction of carbon monoxide and hydrocarbon emissions for simulations of HCCI engine combustion. A detailed kinetics multi-zone model is now more closely coordinated with the KIVA3V computational fluid dynamics code for simulation of the compression and expansion processes. The fluid mechanics is solved with high spatial and temporal resolution (40,000 cells). The chemistry is simulated with high temporal resolution, but low spatial resolution (20 computational zones). This paper presents comparison of simulation results using this enhanced multi-zone model to experimental data from an isooctane HCCI engine.

SunDiesel™ is an alternative bio-fuel derived from wood chips that has certain properties that are superior to those of conventional diesel (D2). In this investigation, 100% SunDiesel was tested in a Mercedes A-Class (model year 1999), 1.7L, turbocharged, direct-injection diesel engine (EURO II) equipped with a common-rail injection system. By using an endoscope system, Argonne researchers collected in-cylinder visualization data to compare the engine combustion characteristics of the SunDiesel with those of D2. Measurements were made at one engine speed and load condition (2,500 rpm, 50% load) and four start-of-injection (SOI) points, because of a limited source of SunDiesel fuel. Significant differences in soot concentration, as measured by two-color optical pyrometry, were observed. The optical and cylinder pressure data clearly show significant differences in combustion duration and ignition delay between the two fuels.

Their high fuel economy is making light-duty vehicles with spark-ignition direct-injection (SIDI) engines attractive. However, the implications for exhaust emissions and the effects of fuel quality on emissions are not clear for this type of engine. A Mitsubishi Legnum with a 1.8-L GDI™ engine was tested on federal test procedure (FTP) and highway fuel economy cycles. The results were compared with those for a production Dodge Neon vehicle with a 2.0-L port fuel-injection (PFI) engine. The Mitsubishi was tested with Indolene, Amoco Premium Ultimate, and a low-sulfur gasoline. The Neon was tested only with Indolene. Both engine-out and tailpipe emissions were measured. Second-by-second emissions and hydrocarbon speciation were also evaluated. The SIDI engine provided up to 24% better fuel economy than the PFI engine on the highway cycle. Tailpipe emissions of oxides of nitrogen (NOx) from the SIDI vehicle using low-sulfur fuel were 40% less than those when using Indolene.

This paper presents the results of Argonne National Laboratory's assessment of the fuel-cycle energy and emissions impacts of 13 combinations of fuels and propulsion systems that are potential candidates for light-duty vehicles with tripled fuel economy (3X vehicles). These vehicles are being developed by the Partnership for a New Generation of Vehicles (PNGV). Eleven fuels were considered: reformulated gasoline (RFG), reformulated diesel (RFD), methanol, ethanol, dimethyl ether, liquefied petroleum gas (LPG), compressed natural gas (CNG), liquefied natural gas (LNG), biodiesel, Fischer-Tropsch diesel and hydrogen. RFG, methanol, ethanol, LPG, CNG and LNG were assumed to be burned in spark-ignition, direct-injection (SIDI) engines. RFD, Fischer-Tropsch diesel, biodiesel and dimethyl ether were assumed to be burned in compression-ignition, direct-injection (CIDI) engines. Hydrogen, RFG and methanol were assumed to be used in fuel-cell vehicles.

Particulate and gaseous emissions from a Mitsubishi Legnum GDI™ wagon were measured for FTP-75, HWFET, SC03, and US06 cycles. The vehicle has a 1.8-L spark-ignition direct-injection engine. Such an engine is considered a potential alternative to the compression-ignition direct-injection engine for the PNGV program. Both engine-out and tailpipe emissions were measured. The fuels used were Phase-2 reformulated gasoline and Indolene. In addition to the emissions, exhaust oxygen content and exhaust-gas temperature at the converter inlet were measured. Results show that the particulate emissions are measurable and are significantly affected by the type of fuel used and the presence of an oxidation catalyst. Whether the vehicle can meet the PNGV goal of 0.01 g/mi for particulates depends on the type of fuel used. Both NMHC and NOx emissions exceed the PNGV goals of 0.125 g/mi and 0.2 g/mi, respectively. Meeting the NOx goal will be especially challenging.

Homogeneous charge compression ignition (HCCI) is a new combustion technology that may develop as an alternative to diesel engines with high efficiency and low NOx and particulate matter emissions. This paper describes the HCCI research activities being currently pursued at Lawrence Livermore National Laboratory and at the University of California Berkeley. Current activities include analysis as well as experimental work. On analysis, we have developed two powerful tools: a single zone model and a multi-zone model. The single zone model has proven very successful in predicting start of combustion and providing reasonable estimates for peak cylinder pressure, indicated efficiency and NOx emissions. This model is being applied to develop detailed engine performance maps and control strategies, and to analyze the problem of engine startability. The multi-zone model is capable of very accurate predictions of the combustion process, including HC and CO emissions.

The Hybrid Electric Vehicle Team of Virginia Tech participated in the three-year EcoCAR Advanced Vehicle Technology Competition organized by Argonne National Laboratory, and sponsored by General Motors and the U.S. Department of Energy. The team established goals for the design of a plug-in, range-extended hybrid electric vehicle that meets or exceeds the competition requirements for EcoCAR. The challenge involved designing a crossover SUV powertrain to reduce fuel consumption, petroleum energy use, regulated tailpipe emissions, and well-to-wheel greenhouse gas emissions. To interface with and control the hybrid powertrain, the team added a Hybrid Vehicle Supervisory Controller, which enacts a torque split control strategy. This paper builds on an earlier paper [1] that evaluated the petroleum energy use, criteria tailpipe emissions, and greenhouse gas emissions of the Virginia Tech EcoCAR vehicle and control strategy from the 2nd year of the competition.