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Technical Paper

Designing High-Performance Fuels through Graph Neural Networks for Predicting Cetane Number of Multicomponent Surrogate Mixtures

2023-09-29
2023-32-0052
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.
Technical Paper

Fuel Property Effects of a Broad Range of Potential Biofuels on Mixing Control Compression Ignition Engine Performance and Emissions

2021-04-06
2021-01-0505
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.
Technical Paper

Effects of Heat of Vaporization and Octane Sensitivity on Knock-Limited Spark Ignition Engine Performance

2018-04-03
2018-01-0218
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.
Journal Article

Selection Criteria and Screening of Potential Biomass-Derived Streams as Fuel Blendstocks for Advanced Spark-Ignition Engines

2017-03-28
2017-01-0868
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.
Journal Article

Exploring the Relationship Between Octane Sensitivity and Heat-of-Vaporization

2016-04-05
2016-01-0836
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.
Technical Paper

Filter-based control of particulate matter from a lean gasoline direct injection engine

2016-04-05
2016-01-0937
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.
Journal Article

Knock Resistance and Fine Particle Emissions for Several Biomass-Derived Oxygenates in a Direct-Injection Spark-Ignition Engine

2016-04-05
2016-01-0705
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.
Journal Article

Review: Fuel Volatility Standards and Spark-Ignition Vehicle Driveability

2016-03-14
2016-01-9072
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.
Technical Paper

Neutron Tomography of Exhaust Gas Recirculation Cooler Deposits

2014-04-01
2014-01-0628
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.
Technical Paper

Impact of Fuel Metal Impurities on the Durability of a Light-Duty Diesel Aftertreatment System

2013-04-08
2013-01-0513
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).
Journal Article

Effect of B20 and Low Aromatic Diesel on Transit Bus NOx Emissions Over Driving Cycles with a Range of Kinetic Intensity

2012-09-24
2012-01-1984
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.
Technical Paper

Exhaust Particle Characterization for Lean and Stoichiometric DI Vehicles Operating on Ethanol-Gasoline Blends

2012-04-16
2012-01-0437
Gasoline direct injection (GDI) engines can offer better fuel economy and higher performance over their port-fuel-injected (PFI) counterparts, and are now appearing in increasingly more U.S. and European vehicles. Small displacement, turbocharged GDI engines are replacing large displacement engines, particularly in light-duty trucks and sport utility vehicles, in order for manufacturers to meet the U.S. fuel economy standards for 2016. Furthermore, lean-burn GDI engines can offer even higher fuel economy than stoichiometric GDI engines and have overcome challenges associated with cost-effective aftertreatment for NOx control. Along with changes in gasoline engine technology, fuel composition may increase in ethanol content beyond the current 10% due to the recent EPA waiver allowing 15% ethanol. In addition, the Renewable Fuels Standard passed as part of the 2007 Energy Independence and Security Act (EISA) mandates the use of biofuels in upcoming years.
Journal Article

1000-Hour Durability Evaluation of a Prototype 2007 Diesel Engine with Aftertreatment Using B20 Biodiesel Fuel

2009-11-02
2009-01-2803
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.
Technical Paper

ULSD and B20 Hydrocarbon Impacts on EGR Cooler Performance and Degradation

2009-11-02
2009-01-2802
Exhaust gas recirculation (EGR) cooler fouling has emerged as an important issue in diesel engine development. Uncertainty about the level of impact that fuel chemistry may have upon this issue has resulted in a need to investigate the cooler fouling process with emerging non-traditional fuel sources to gage their impact on the process. This study reports experiments using both ultra-low sulfur diesel (ULSD) and 20% biodiesel (B20) at elevated exhaust hydrocarbon conditions to investigate the EGR cooler fouling process. The results show that there is little difference between the degradation in cooler effectiveness for ULSD and B20 at identical conditions. At lower coolant temperatures, B20 exhibits elevated organic fractions in the deposits compared with ULSD, but this does not appear to lead to incremental performance degradation under the conditions studied.
Journal Article

Modeling of Thermophoretic Soot Deposition and Hydrocarbon Condensation in EGR Coolers

2009-06-15
2009-01-1939
EGR coolers are effective to reduce NOx emissions from diesel engines due to lower intake charge temperature. EGR cooler fouling reduces heat transfer capacity of the cooler significantly and increases pressure drop across the cooler. Engine coolant provided at 40–90 C is used to cool EGR coolers. The presence of a cold surface in the cooler causes particulate soot deposition and hydrocarbon condensation. The experimental data also indicates that the fouling is mainly caused by soot and hydrocarbons. In this study, a 1-D model is extended to simulate particulate soot and hydrocarbon deposition on a concentric tube EGR cooler with a constant wall temperature. The soot deposition caused by thermophoresis phenomena is taken into account the model. Condensation of a wide range of hydrocarbon molecules are also modeled but the results show condensation of only heavy molecules at coolant temperature.
Journal Article

Impacts of Biodiesel Fuel Blends Oil Dilution on Light-Duty Diesel Engine Operation

2009-06-15
2009-01-1790
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.
Journal Article

Biodiesel Effects on U.S. Light-Duty Tier 2 Engine and Emission Control Systems - Part 2

2009-04-20
2009-01-0281
Raising interest in Diesel powered passenger cars in the United States in combination with the government mandated policy to reduce dependency of foreign oil, leads to the desire of operating Diesel vehicles with Biodiesel fuel blends. There is only limited information related to the impact of Biodiesel fuels on the performance of advanced emission control systems. In this project the implementation of a NOx storage and a SCR emission control system and the development for optimal performance are evaluated. The main focus remains on the discussion of the differences between the fuels which is done for the development as well as useful life aged components. From emission control standpoint only marginal effects could be observed as a result of the Biodiesel operation. The NOx storage catalyst results showed lower tailpipe emissions which were attributed to the lower exhaust temperature profile during the test cycle. The SCR catalyst tailpipe results were fuel neutral.
Technical Paper

Numerical Modeling and Experimental Investigations of EGR Cooler Fouling in a Diesel Engine

2009-04-20
2009-01-1506
EGR coolers are mainly used on diesel engines to reduce intake charge temperature and thus reduce emissions of NOx and PM. Soot and hydrocarbon deposition in the EGR cooler reduces heat transfer efficiency of the cooler and increases emissions and pressure drop across the cooler. They may also be acidic and corrosive. Fouling has been always treated as an approximate factor in heat exchanger designs and it has not been modeled in detail. The aim of this paper is to look into fouling formation in an EGR cooler of a diesel engine. A 1-D model is developed to predict and calculate EGR cooler fouling amount and distribution across a concentric tube heat exchanger with a constant wall temperature. The model is compared to an experiment that is designed for correlation of the model. Effectiveness, mass deposition, and pressure drop are the parameters that have been compared. The results of the model are in a good agreement with the experimental data.
Journal Article

Mobile Source Air Toxics (MSATs) from High Efficiency Clean Combustion: Catalytic Exhaust Treatment Effects

2008-10-06
2008-01-2431
High Efficiency Clean Combustion (HECC) strategies such as homogenous charge compression ignition (HCCI) and pre-mixed charge compression ignition (PCCI) offer much promise for the reduction of NOx and PM from diesel engines. While delivering low PM and low NOx, these combustion modes often produce much higher levels of CO and HC than conventional diesel combustion modes. In addition, partially oxygenated species such as formaldehyde (an MSAT) and other aldehydes increase with HECC modes. The higher levels of CO and HCs have the potential to compromise the performance of the catalytic aftertreatment, specifically at low load operating points. As HECC strategies become incorporated into vehicle calibrations, manufacturers need to avoid producing MSATs in higher quantities than found in conventional combustion modes. This paper describes research on two different HECC strategies, HCCI and PCCI.
Journal Article

Hydrocarbons and Particulate Matter in EGR Cooler Deposits: Effects of Gas Flow Rate, Coolant Temperature, and Oxidation Catalyst

2008-10-06
2008-01-2467
Compact heat exchangers are commonly used in diesel engines to reduce the temperature of recirculated exhaust gases, resulting in decreased NOx emissions. These exhaust gas recirculation (EGR) coolers experience fouling through deposition of particulate matter (PM) and hydrocarbons (HCs) that reduces the effectiveness of the cooler. Surrogate tubes have been used to investigate the impacts of gas flow rate and coolant temperature on the deposition of PM and HCs. The results indicate that mass deposition is lowest at high flow rates and high coolant temperatures. An oxidation catalyst was investigated and proved to effectively reduce deposition of HCs, but did not reduce overall mass deposition to near-zero levels. Speciation of the deposit HCs showed that a range of HCs from C15 - C25 were deposited and retained in the surrogate tubes.
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