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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.

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.

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.

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.

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.

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).

A prototype 2007 ISL Cummins diesel engine equipped with a diesel oxidation catalyst (DOC), diesel particle filter (DPF), variable geometry turbocharger (VGT), and cooled exhaust gas recirculation (EGR) was tested at Southwest Research Institute (SwRI) under a high-load accelerated durability cycle for 1000 hours with B20 soy-based biodiesel blends and ultra-low sulfur diesel (ULSD) fuel to determine the impact of B20 on engine durability, performance, emissions, and fuel consumption. At the completion of the 1000-hour test, a thorough engine teardown evaluation of the overhead, power transfer, cylinder, cooling, lube, air handling, gaskets, aftertreatment, and fuel system parts was performed. The engine operated successfully with no biodiesel-related failures. Results indicate that engine performance was essentially the same when tested at 125 and 1000 hours of accumulated durability operation.

Increasing interest in biofuels—specifically, biodiesel as a pathway to energy diversity and security—have necessitated the need for research on the performance and utilization of these fuels and fuel blends in current and future vehicle fleets. One critical research area is related to achieving a full understanding of the impact of biodiesel fuel blends on advanced emission control systems. In addition, the use of biodiesel fuel blends can degrade diesel engine oil performance and impact the oil drain interval requirements. There is limited information related to the impact of biodiesel fuel blends on oil dilution. This paper assesses the oil dilution impacts on an engine operating in conjunction with a diesel particle filter (DPF), oxides of nitrogen (NOx) storage, a selective catalytic reduction (SCR) emission control system, and a 20% biodiesel (soy-derived) fuel blend.

Regulated and unregulated emissions (individual hydrocarbons, ethanol, aldehydes and ketones, polynuclear aromatic hydrocarbons (PAH), nitro-PAH, and soluble organic fraction of particulate matter) were characterized in engines utilizing duplicate ISO 8178-C1 eight-mode tests and FTP smoke tests. Certification No. 2 diesel (400 ppm sulfur) and three ethanol/diesel blends, containing 7.7 percent, 10 percent, and 15 percent ethanol, respectively, were used. The three, Tier II, off-road engines were 6.8-L, 8.1-L, and 12.5-L in displacement and each had differing fuel injection system designs. It was found that smoke and particulate matter emissions decreased with increasing ethanol content. Changes to the emissions of carbon monoxide and oxides of nitrogen varied with engine design, with some increases and some decreases. As expected, increasing ethanol concentration led to higher emissions of acetaldehyde (increases ranging from 27 to 139 percent).

The exhaust emissions from a single-cylinder version of a heavy-duty diesel engine with exhaust gas recirculation (EGR) were studied using 12 diesel fuels derived from oil sands and conventional sources. The test fuels were blended from 22 refinery streams to produce four fuels (two from each source) at three different total aromatic levels (10, 20, and 30% by mass). The cetane numbers were held constant at 43. Exhaust emissions were measured using the AVL eight-mode steady-state test procedure. PM emissions were accurately modeled by a single regression equation with two predictors, total aromatics and sulphur content. Sulphate emissions were found to be independent of the type of sulphur compound in the fuel. NOx emissions were accurately modeled by a single regression equation with total aromatics and density as predictor variables. PM and NOx emissions were significantly significantly affected by fuel properties, but crude oil source did not play a role.

The objective of the work described here is to test the performance of closed-loop controlled, heavy-duty CNG engines in-use, on fuels of different methane content; and to compare their performance with similar diesel vehicles. Performance is measured in terms of pollutant emissions, fuel economy, and driveability. To achieve this objective, three buses powered by closed-loop controlled, dedicated natural gas engines were tested on the heavy-duty chassis dynamometer facility at the Colorado Institute for Fuels and High Altitude Engine Research (CIFER). Emissions of regulated pollutants (CO, NOx, PM, and THC or NMHC), as well as emissions of alde-hydes for some vehicles, are reported. Two fuels were employed: a high methane fuel (90%) and a low methane fuel (85%). It was found that the NOx, CO, and PM emissions for a given cycle and vehicle are essentially constant for different methane content fuels.

Emissions of six 32 passenger transit buses were characterized using one of the West Virginia University (WVU) Transportable Heavy Duty Emissions Testing Laboratories, and the fixed base chassis dynamometer at the Colorado Institute for Fuels and High Altitude Engine Research (CIFER). Three of the buses were powered with 1997 ISB 5.9 liter Cummins diesel engines, and three were powered with the 1997 5.9 liter Cummins natural gas (NG) counterpart. The NG engines were LEV certified. Objectives were to contrast the emissions performance of the diesel and NG units, and to compare results from the two laboratories. Both laboratories found that oxides of nitrogen and particulate matter (PM) emissions were substantially lower for the natural gas buses than for the diesel buses. It was observed that by varying the rapidity of pedal movement during accelerations in the Central Business District cycle (CBD), CO and PM emissions from the diesel buses could be varied by a factor of three or more.

Natural gas presents several challenges to engine manufacturers for use as a heavy-duty, lean burn engine fuel. This is because natural gas can vary in composition and the variation is large enough to produce significant changes in the stoichiometry of the fuel and its octane number. Similarly, operation at high altitude can present challenges. The most significant effect of altitude is lower barometric pressure, typically 630 mm Hg at 1600 m compared to a sea level value of 760 mm. This can lower turbocharger boost at low speeds leading to mixtures richer than desired. The purpose of this test program was to determine the effect of natural gas composition and altitude on regulated emissions and performance of a Cummins B5.9G engine. The engine is a lean-burn, closed loop control, spark ignited, dedicated natural gas engine. For fuel composition testing the engine was operating at approximately 1600 m (5,280 ft) above sea level.

Methane emissions from lean-burn natural gas engines can be relatively high. As natural gas fueled vehicles become more prevalent, future regulations may restrict these emissions. Preliminary reports indicated that conventional, precious metal oxidation catalysts rapidly deactivate (in less than 50 hours) in lean-burn natural gas engine exhaust. This investigation is directed at quantifying this catalyst deactivation and understanding its cause. The results may also be relevant to oxidation of lean-burn propane and gasoline engine exhaust. A platinum/palladium on alumina catalyst and a palladium on alumina catalyst were aged in the exhaust of a lean-burn natural gas engine (Cummins B5.9G). The engine was fueled with compressed natural gas. Catalyst aging was accomplished through a series of steady state cycles and heavy-duty transient tests (CFR 40 Part 86 Subpart N) lasting 10 hours. Hydrocarbons in the exhaust were speciated by gas chromatography.