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Cetane number (CN) is an important fuel property in designing high-performance fuels in recently diversifying compression ignition engines. We introduce graph neural networks (GNNs) that predict CNs of multicomponent surrogate mixtures when only 2D structures and mole fractions of molecules are given. It considers the influences of mixing multiple components and their chemical structures on CN, reproducing the non-linear blending behavior observed for certain mixtures. We trained the GNNs using the CNs of 1,143 mixtures, and reliable accuracy was achieved with mean absolute errors of 3.4-3.8 from the cross-validation. Lastly, we analyzed the chemical structural effects on non-linear blending behavior.

Conventional diesel engines will continue to hold a vital role in the heavy- and medium-duty markets for the transportation of goods along with many other uses. The ability to offset traditional diesel fuels with low-net-carbon biofuels could have a significant impact on reducing the carbon footprint of these vehicles. A prior study screened several hundred candidate biofuel blendstocks based on required diesel blendstock properties and identified 12 as the most promising. Eight representative biofuel blendstocks were blended at a 30% volumetric concentration with EPA certification ultra-low-sulfur diesel (ULSD) and were investigated for emissions and fuel efficiency performance. This study used a single cylinder engine (based on the Ford 6.7L engine) using Conventional Diesel Combustion (CDC), also known as Mixing Control Compression Ignition (MCCI). The density, cetane number, distillation curve and sooting tendency (using the yield sooting index method) of the fuels were measured.

The variability in gasoline energy content, though most frequently not a consumer concern, is an issue of concern for vehicle manufacturers in demonstrating compliance with regulatory requirements. Advancements in both vehicle technology, test methodology, and fuel formulations have increased the level of visibility and concern with regard to the energy content of fuels used for regulatory testing. The R factor was introduced into fuel economy calculations for vehicle certification in the late 1980s as a means of addressing batch-to-batch variations in the heating value of certification fuels and the resulting variations in fuel economy results. Although previous studies have investigated values of the R factor for modern vehicles through experimentation, subsequent engine studies have made clear that it is difficult to distinguish between the confounding factors that influence engine efficiency when R is being studied experimentally.

Six blendstocks identified by the Co-Optimization of Fuels & Engines Program were used to prepare fuel blends using a fixed blendstock for oxygenate blending and a target RON of 97. The blendstocks included ethanol, n-propanol, isopropanol, isobutanol, diisobutylene, and a bioreformate surrogate. The blends were analyzed and used to establish interaction factors for a non-linear molar blending model that was used to predict RON and MON of volumetric blends of the blendstocks up to 35 vol%. Projections of efficiency increase, volumetric fuel economy increase, and tailpipe CO2 emissions decrease were produced using two different estimation techniques to evaluate the potential benefits of the blendstocks. Ethanol was projected to provide the greatest benefits in efficiency and tailpipe CO2 emissions, but at intermediate levels of volumetric fuel economy increase over a smaller range of blends than other blendstocks.

Knock-limited loads for a set of surrogate gasolines all having nominal 100 research octane number (RON), approximately 11 octane sensitivity (S), and a heat of vaporization (HOV) range of 390 to 595 kJ/kg at 25°C were investigated. A single-cylinder spark-ignition engine derived from a General Motors Ecotec direct injection (DI) engine was used to perform load sweeps at a fixed intake air temperature (IAT) of 50 °C, as well as knock-limited load measurements across a range of IATs up to 90 °C. Both DI and pre-vaporized fuel (supplied by a fuel injector mounted far upstream of the intake valves and heated intake runner walls) experiments were performed to separate the chemical and thermal effects of the fuels’ knock resistance. The DI load sweeps at 50°C intake air temperature showed no effect of HOV on the knock-limited performance. The data suggest that HOV acts as a thermal contributor to S under the conditions studied.

We describe a study to identify potential biofuels that enable advanced spark ignition (SI) engine efficiency strategies to be pursued more aggressively. A list of potential biomass-derived blendstocks was developed. An online database of properties and characteristics of these bioblendstocks was created and populated. Fuel properties were determined by measurement, model prediction, or literature review. Screening criteria were developed to determine if a bioblendstock met the requirements for advanced SI engines. Criteria included melting point (or cloud point) < -10°C and boiling point (or T90) <165°C. Compounds insoluble or poorly soluble in hydrocarbon were eliminated from consideration, as were those known to cause corrosion (carboxylic acids or high acid number mixtures) and those with hazard classification as known or suspected carcinogens or reproductive toxins.

For renewable fuels to displace petroleum, they must be compatible with emissions control devices. Pure biodiesel contains up to 5 ppm Na + K and 5 ppm Ca + Mg metals, which have the potential to degrade diesel emissions control systems. This study aims to address these concerns, identify deactivation mechanisms, and determine if a lower limit is needed. Accelerated aging of a production exhaust system was conducted on an engine test stand over 1001 h using 20% biodiesel blended into ultra-low sulfur diesel (B20) doped with 14 ppm Na. This Na level is equivalent to exposure to Na at the uppermost expected B100 value in a B20 blend for the system full-useful life. During the study, NOx emissions exceeded the engine certification limit of 0.33 g/bhp-hr before the 435,000-mile requirement.

Adoption of high-pressure common-rail (HPCR) fuel systems, which subject diesel fuels to higher temperatures and pressures, has brought into question the veracity of ASTM International specifications for biodiesel and biodiesel blend oxidation stability, as well as the lack of any stability parameter for diesel fuel. A controlled experiment was developed to investigate the impact of a light-duty diesel HPCR fuel system on the stability of 20% biodiesel (B20) blends under conditions of intermittent use and long-term storage in a relatively hot and dry climate. B20 samples with Rancimat induction periods (IPs) near the current 6.0-hour minimum specification (6.5 hr) and roughly double the ASTM specification (13.5 hr) were prepared from a conventional diesel and a highly unsaturated biodiesel. Four 2011 model year Volkswagen Passats equipped with HPCR fuel injection systems were utilized: one on B0, two on B20-6.5 hr, and one on B20-13.5 hr.

The latent heat-of-vaporization (HoV) of blends of biofuel and hydrocarbon components into gasolines has recently experienced expanded interest because of the potential for increased HoV to increase fuel knock resistance in direct-injection (DI) engines. Several studies have been conducted, with some studies identifying an additional anti-knock benefit from HoV and others failing to arrive at the same conclusion. Consideration of these studies holistically shows that they can be grouped according to the level of fuel octane sensitivity variation within their fuel matrices. When comparing fuels of different octane sensitivity significant additional anti-knock benefits associated with HoV are sometimes observed. Studies that fix the octane sensitivity find that HoV does not produce additional anti-knock benefit. New studies were performed at ORNL and NREL to further investigate the relationship between HoV and octane sensitivity.

New regulations requiring increases in vehicle fuel economy are challenging automotive manufacturers to identify fuel-efficient engines for future vehicles. Lean gasoline direct injection (GDI) engines offer significant increases in fuel efficiency over the more common stoichiometric GDI engines already in the marketplace. However, particulate matter (PM) emissions from lean GDI engines, particularly during stratified combustion modes, are problematic for lean GDI technology to meet U.S. Environmental Protection Agency Tier 3 and other future emission regulations. As such, the control of lean GDI PM with wall-flow filters, referred to as gasoline particulate filter (GPF) technology, is of interest. Since lean GDI PM chemistry and morphology differ from diesel PM (where more filtration experience exists), the functionality of GPFs needs to be studied to determine the operating conditions suitable for efficient PM removal.

Several high octane number oxygenates that could be derived from biomass were blended with gasoline and examined for performance properties and their impact on knock resistance and fine particle emissions in a single cylinder direct-injection spark-ignition engine. The oxygenates included ethanol, isobutanol, anisole, 4-methylanisole, 2-phenylethanol, 2,5-dimethyl furan, and 2,4-xylenol. These were blended into a summertime blendstock for oxygenate blending at levels ranging from 10 to 50 percent by volume. The base gasoline, its blends with p-xylene and p-cymene, and high-octane racing gasoline were tested as controls. Relevant gasoline properties including research octane number (RON), motor octane number, distillation curve, and vapor pressure were measured. Detailed hydrocarbon analysis was used to estimate heat of vaporization and particulate matter index (PMI). Experiments were conducted to measure knock-limited spark advance and particulate matter (PM) emissions.

The recirculation of gases from the crankcase and valvetrain can potentially lead to the entrainment of lubricant in the form of aerosols or mists. As boost pressures increase, the blow-by flow through both the crankcase and the valve cover increases. The resulting lubricant can then become part of the intake charge, potentially leading to fouling of intake components such as the intercooler and the turbocharger. The entrained aerosol which can contain the lubricant and soot may or may not have the same composition as the bulk lubricant. The complex aerodynamic processes that lead to entrainment can strip out heavy components or volatilize light components. Similarly, the physical size and numbers of aerosol particles can be dependent upon the lubricant formulation and engine speed and load. For instance, high rpm and load may increase not only the flow of gases but the amount of lubricant aerosol.

Spark-ignition engine fuel standards have been put in place to ensure acceptable hot and cold weather driveability (HWD and CWD). Vehicle manufacturers and fuel suppliers have developed systems that meet our driveability requirements so effectively that drivers overwhelmingly find that their vehicles reliably start up and operate smoothly and consistently throughout the year. For HWD, fuels that are too volatile perform more poorly than those that are less volatile. Vapor lock is the apparent cause of poor HWD, but there is conflicting evidence in the literature as to where in the fuel system it occurs. Most studies have found a correlation between degraded driveability and higher dry vapor pressure equivalent or lower TV/L = 20, and less consistently with a minimum T50. For CWD, fuels with inadequate volatility can cause difficulty in starting and rough operation during engine warmup.

During the 1980s, the U.S. Environmental Protection Agency (EPA) incorporated the R factor into fuel economy calculations in order to address concerns about the impacts of test fuel property variations on corporate average fuel economy (CAFE) compliance, which is determined using the Federal Test Procedure (FTP) and Highway Fuel Economy Test (HFET) cycles. The R factor is defined as the ratio of the percent change in fuel economy to the percent change in volumetric heating value for tests conducted using two differing fuels. At the time the R-factor was devised, tests using representative vehicles initially indicated that an appropriate value for the R factor was 0.6. Reassessing the R factor has recently come under renewed interest after EPA's March 2013 proposal to adjust the properties of certification gasoline to contain significant amounts of ethanol.

Fouling in EGR coolers occurs because of the presence of soot and condensable species (such as hydrocarbons) in the gas stream. Fouling leads to one of two possible outcomes: stabilization of effectiveness and plugging of the gas passages within the cooler. Deposit formation in the cooler under high-temperature conditions results in a fractal deposit that has a characteristic thermal conductivity of ∼0.033 W/m*K and a density of 0.0224 g/cm3. Effectiveness becomes much less sensitive to changes in thermal resistance as fouling proceeds, creating the appearance of “stabilization” even in the presence of ongoing, albeit slow, deposit growth. Plugging occurs when the deposit thermal resistance is several times lower because of the presence of large amounts of condensed species. The deposition mechanism in this case appears to be soot deposition into a liquid film, which results in increased packing efficiency and decreased void space in the deposit relative to high-temperature deposits.

Exhaust gas recirculation (EGR) cooler fouling has become a significant issue for compliance with NOx emissions standards. Exhaust gas laden with particulate matter flows through the EGR cooler which causes deposits to form through thermophoresis and condensation. The low thermal conductivity of the resulting deposit reduces the effectiveness of the EGR system. In order to better understand this phenomenon, industry-provided coolers were characterized using neutron tomography. Neutrons are strongly attenuated by hydrogen but only weakly by metals which allows for non-destructive imaging of the deposit through the metal heat exchanger. Multiple 2-D projections of cooler sections were acquired by rotating the sample around the axis of symmetry with the spatial resolution of each image equal to ∼70 μm. A 3-D tomographic set was then reconstructed, from which slices through the cooler sections were extracted across different planes.

Alkali and alkaline earth metal impurities found in diesel fuels are potential poisons for diesel exhaust catalysts. Using an accelerated aging procedure, a set of production exhaust systems from a 2011 Ford F250 equipped with a 6.7L diesel engine have been aged to an equivalent of 150,000 miles of thermal aging and metal exposure. These exhaust systems included a diesel oxidation catalyst (DOC), selective catalytic reduction (SCR) catalyst, and diesel particulate filter (DPF). Four separate exhaust systems were aged, each with a different fuel: ULSD containing no measureable metals, B20 containing sodium, B20 containing potassium and B20 containing calcium. Metals levels were selected to simulate the maximum allowable levels in B100 according to the ASTM D6751 standard. Analysis of the aged catalysts included Federal Test Procedure emissions testing with the systems installed on a Ford F250 pickup, bench flow reactor testing of catalyst cores, and electron probe microanalysis (EPMA).

The objective of this research project was to compare the emissions of oxides of nitrogen (NOx) from transit buses on as many as five different fuels and three standard transit duty cycles to establish if there is a real-world biodiesel NOx increase for transit bus duty cycles and engine calibrations. Prior studies have shown that B20 can cause a small but significant increase in NOx emissions for some engines and duty cycles. Six buses spanning engine build years 1998 to 2011 were tested on the National Renewable Energy Laboratory's Renewable Fuels and Lubricants research laboratory's heavy-duty chassis dynamometer with certification diesel, certification B20 blend, low aromatic [California Air Resources Board (CARB)] diesel, low aromatic B20 blend, and B100 fuels over the Manhattan, Orange County and UDDS test cycles.

The CRC Fuels for Advanced Combustion Engines (FACE) Working Group has provided a matrix of experimental diesel fuels for use in studies on the effects of three parameters, Cetane number (CN), aromatics content, and 90 vol% distillation temperature (T90), on combustion and emissions characteristics of advanced combustion strategies. Various types of fuel analyses and engine experiments were performed in well-known research institutes. This paper reviews a collection of research findings obtained with these nine fuels. An extensive collection of analyses were performed by members of the FACE working group on the FACE diesel fuels as a means of aiding in understanding the linkage between fuel properties and combustion and emissions performance. These analyses included non-traditional chemical techniques as well as established ASTM tests. In a few cases, both ASTM tests and advanced analyses agreed that some design variables differed from their target values when the fuels were produced.

Ethanol is a biofuel commonly used in gasoline blends to displace petroleum consumption; its utilization is on the rise in the United States, spurred by the biofuel utilization mandates put in place by the Energy Independence and Security Act of 2007 (EISA). The United States Environmental Protection Agency (EPA) has the statutory responsibility to implement the EISA mandates through the promulgation of the Renewable Fuel Standard. EPA has historically mandated an emissions certification fuel specification that calls for ethanol-free fuel, except for the certification of flex-fuel vehicles. However, since the U.S. gasoline marketplace is now virtually saturated with E10, some organizations have suggested that inclusion of ethanol in emissions certification fuels would be appropriate.