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DOE OSTI2021

Supply Chain Sustainability Analysis of Renewable Hydrocarbon Fuels via Indirect Liquefaction, Ex Situ Catalytic Fast Pyrolysis, Hydrothermal Liquefaction, Combined Algal Processing, and Biochemical Conversion: Update of the 2020 State-of-Technology Cases

This technical report describes the SCSAs for the production of renewable hydrocarbon transportation fuels via a range of conversion technologies in the 2020 SOTs: (1) renewable high octane gasoline (HOG) via indirect liquefaction (IDL) of woody lignocellulosic biomass (note that the IDL pathway in this SCSA represents the syngas conversion design); (2) renewable gasoline (RG) and diesel (RD) blendstocks via ex situ catalytic fast pyrolysis of woody lignocellulosic biomass; (3) RD via hydrothermal liquefaction (HTL) of wet sludge from a wastewater treatment plant; (4) renewable hydrocarbon fuels via biochemical conversion of herbaceous lignocellulosic biomass; (5) renewable diesel via HTL of a blend of algae and woody biomass; and (6) renewable diesel via combined algae processing (CAP). This technical report focuses on the environmental performance of these six biofuel production pathways in their 2020 SOT cases. The results of these renewable hydrocarbon fuel pathways in these SCSA analyses update those for the respective 2019 SOT cases. They also provide an opportunity to examine the impact of technology improvements in both biomass feedstock production and biofuel production that have been achieved in 2020 SOTs on the sustainability performance of these renewable transportation fuels. The SCSA results also reflect updates to Argonne National Laboratory’s Greenhouse gases, Regulated Emissions, and Energy use in Technologies (GREET ® ) model, which was released in October 2020. These GREET updates include the production of natural gas, electricity, and petroleum-based fuels that can influence biofuels’ supply chain greenhouse gas (GHG) (CO 2 , CH 4 , and N 2 O) emissions, water consumption, and air pollutant emissions. GHG emissions, water consumption, and nitrogen oxides (NO x ) emissions are the main sustainability metrics assessed in this analysis. In this analysis, we define water consumption as the amount of water withdrawn from a freshwater source that is not returned (or returnable) to a freshwater source at the same level of quality. Life-cycle fossil energy consumption and net energy balance, which is the life-cycle fossil energy consumption deducted from the renewable biofuel energy produced, are also assessed.

09 BIOMASS FUELS↗
DOE OSTI2021

Supply Chain Sustainability Analysis of Renewable Hydrocarbon Fuels via Indirect Liquefaction, Ex Situ Catalytic Fast Pyrolysis, Hydrothermal Liquefaction, Combined Algal Processing, and Biochemical Conversion: Update of the 2020 State-of-Technology Cases

The Department of Energy’s (DOE) Bioenergy Technologies Office (BETO) aims to develop and deploy technologies to transform renewable biomass resources into commercially viable, high-performance biofuels, bioproducts, and biopower through public and private partnerships (U.S. Department of Energy, 2016). BETO and its national laboratory teams conduct in-depth techno-economic assessments (TEA) of biomass feedstock supply and logistics and conversion technologies to produce biofuels. There are two general types of TEAs: A design case outlines a target case (future projection) for a particular biofuel pathway. It enables identification of data gaps and research and development needs and provides goals and benchmarks against which technology progress is assessed. A state of technology (SOT) analysis assesses progress within and across relevant technology areas based on actual results at current experimental scales relative to technical targets and cost goals from design cases, and includes technical, economic, and environmental criteria as available. In addition to developing a TEA for a pathway of interest, BETO also performs a supply chain sustainability analysis (SCSA). The SCSA takes the life-cycle analysis approach that BETO has been supporting for about 20 years. It enables BETO to identify energy consumption, environmental, and sustainability issues that may be associated with biofuel production. Approaches to mitigate these issues can then be developed. Additionally, the SCSA allows for comparison of energy and environmental impacts across biofuel pathways in BETO’s research and development portfolio. This technical report describes the SCSAs for the production of renewable hydrocarbon transportation fuels via a range of conversion technologies in the 2020 SOTs: (1) renewable high octane gasoline (HOG) via indirect liquefaction (IDL) of woody lignocellulosic biomass (note that the IDL pathway in this SCSA represents the syngas conversion design [Harris et al. 2021]); (2) renewable gasoline (RG) and diesel (RD) blendstocks via ex situ catalytic fast pyrolysis of woody lignocellulosic biomass [Abhijit et al. 2021]; (3) RD via hydrothermal liquefaction (HTL) of wet sludge from a wastewater treatment plant; (4) renewable hydrocarbon fuels via biochemical conversion of herbaceous lignocellulosic biomass (Davis et al. 2021; Lin et al. 2021); (5) renewable diesel via HTL of a blend of algae (Davis and Klein, 2021) and woody biomass (Hartley et al. 2020); and (6) renewable diesel via combined algae processing (CAP) (Wiatrowski and Davis, 2021). This technical report focuses on the environmental performance of these six biofuel production pathways in their 2020 SOT cases. The results of these renewable hydrocarbon fuel pathways in these SCSA analyses update those for the respective 2019 SOT cases (Cai et al. 2020). They also provide an opportunity to examine the impact of technology improvements in both biomass feedstock production and biofuel production that have been achieved in 2020 SOTs on the sustainability performance of these renewable transportation fuels. The SCSA results also reflect updates to Argonne National Laboratory’s Greenhouse gases, Regulated Emissions, and Energy use in Technologies (GREET®) model, which was released in October 2020 (Wang et al. 2020). These GREET updates include the production of natural gas, electricity, and petroleum-based fuels that can influence biofuels’ supply chain greenhouse gas (GHG) (CO 2 , CH 4 , and N 2 O) emissions, water consumption, and air pollutant emissions. GHG emissions, water consumption, and nitrogen oxides (NO x ) emissions are the main sustainability metrics assessed in this analysis. In this analysis, we define water consumption as the amount of water withdrawn from a freshwater source that is not returned (or returnable) to a freshwater source at the same level of quality. Life-cycle fossil energy consumption and net energy balance, which is the life-cycle fossil energy consumption deducted from the renewable biofuel energy produced, are also assessed.

09 BIOMASS FUELS↗
DOE OSTI2022

Evaluation of erosion potential of bio-based multicomponent blendstocks using experimentally-validated computational fluid dynamics

The optimization of the fuel-engine interface and associated performance is a significant goal for CoOptima and the industry. The strategic driver for fuel-engine optimization is clear: diesel optimization can significantly reduce emissions including NOx, particulate matter, and CO2 emissions. Previous evaluations of ethanol and diesel blends raised significant concerns with fuel injector erosion using ethanol blends. While Sylvatex’s technology can use ethanol, it also utilizes a surfactant and water to compatibilize and modify ethanol blends, thereby controlling its impact in diesel engines. The results from the project will (1) provide important insights into complex fuels and erosion, which will be used to design additional, improved formulations; and (2) expand capabilities of Argonne’s cavitation-induced erosion risk assessment (CIERA) tool to model multi-component systems, furthering Co-Optima objectives.

09 BIOMASS FUELS↗
DOE OSTI2022

Advanced Distributed Wind Turbine Controls Series: Part 2-Wind Energy in Isolated Grids – Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL)

In an isolated grid, wind turbines are typically deployed to provide energy to maximize energy production, reduce diesel-fuel consumption, reduce carbon emissions, and reduce costs for energy and fuel transportation. However, in addition to solely providing energy to the power system, wind turbines contain rotating masses and inverter-based controls that can enable various reliability and resilience services through advance controls. As part of the Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL) this paper demonstrates, through desktop simulations, advanced wind turbine controls that can be employed to support higher contributions of wind in isolated grids, and to demonstrate ways that wind can play a role in supporting stability of an isolated grid. This isolated grid used in these desktop simulations is comprised of a wind turbine (600 kW), solar PV (430 kW), battery energy storage system (1 MW/1MWh), a simulated diesel generator (2 MW) and various types of loads (critical, dynamic). We developed a model of the subsystems in MATLAB/Simulink and validated them with available data from real-world components on NREL's Flatirons Campus. These validated models are then configured for various case studies. We compare the output of the desktop simulation with a baseline case with the diesel generator. Active and reactive power control of the wind turbine can help improve frequency and voltage responses in the isolated grid, respectively. By utilizing a small integrated battery energy storage system in the DC-link of the wind turbine, we also demonstrate that wind turbines can help blackstart a critical load comparable to its rated power and support other renewables (e.g. solar PV) come online and pick up an additional load. This report illustrates some of these reliability and resilience services a wind turbine can provide in an isolated grid.

17 WIND ENERGY↗
DOE OSTI2021

Oxygenated Fuel Blending Effects in a Mixing-Controlled Compression-Ignition Engine Equipped with Ducted Fuel Injection [Slides]

Continued creation of harmful emissions such as NO x and soot from compression-ignition engines utilizing mixing-controlled combustion systems (i.e., diesel engines) remains a problem and is the subject of on-going research. The inherently high efficiency, relatively low cost, and numerous other desirable attributes of such engines, coupled with a widely supported infrastructure, motivates their continued advancement. Recently, a scientifically distinct and mechanically simple technology called ducted fuel injection (DFI) has shown a robust ability to allow such engines to operate with simultaneously low engine-out soot and NO x emissions when it is employed with simulated exhaust-gas recirculation. To better understand the property ranges of sustainable, oxygenated-fuel blending stocks that will most improve engine performance, two oxygenated blendstocks were separately blended with a commercial diesel base fuel and tested within a heavy-duty diesel optical engine equipped with a four-duct DFI configuration. Conventional and crank-angle-resolved optical diagnostics were used to elucidate the effects of fuel ignition quality, oxygenate molecular structure, and overall oxygen content on engine performance.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Hydrogen for Maritime Applications

The maritime industry is investigating a number of fuel options for reducing emissions, including liquefied natural gas (LNG), biofuels, and electrical drive systems powered by batteries and/or hydrogen-fueled fuel cells. Hydrogen-fueled ships offer the potential to significantly reduce, if not eliminate, regulated and unregulated pollutants in maritime applications. Argonne National Laboratory conducted preliminary comparisons of the total cost of ownership (TCO) of several classes of ships to determine how fuel cell technology compares to the current diesel technology, what advancements are needed for hydrogen fuel cell technology to be competitive in the future, and what applications may be appropriate for introducing fuel cells into the maritime industry. These studies included feeder container ships, harbor tugboats, river pushboats, and auto/passenger ferries. For this study, TCO was defined to include the cost of fuel, propulsion system, and fuel storage system, the levelized cost of propulsion/auxiliary engines, and the cost of annual maintenance and consumables. It did not include the cost of the vessel frame or other components, aside from the propulsion system, that the fuel cell and diesel ships have in common. A 10% internal rate of return (IRR) was applied to the initial capital investment and an installation cost factor of 20% was applied to the capital cost. The capital cost of each component (e.g., engine, fuel tank, motor, etc.) was amortized over a period of 20 years, except for the fuel cell system, which was amortized over 6 or 10 years depending on ship class. The initial comparisons for container ships indicate that fuel costs are by far the dominant contributor to the TCO. With the current low cost of low-sulfur marine gasoil (LSMGO) and relatively high cost of hydrogen, it is difficult for hydrogen to compete with LSMGO in container ship applications. The large energy demand for container ships also favors the use of the higher volumetric energy density LSMGO fuel, especially for longer voyages. The space required to store enough hydrogen for the same journey is larger than that needed to store diesel fuels and can reduce the available cargo carrying and revenue generating space available on the ship.

08 HYDROGEN↗
DOE OSTI2023

Droplet burning of n-butyl acetate/n-heptane mixtures in the standard atmosphere: experiments and numerical modeling

Blending petroleum fuels with oxygenates is a common approach to stem the depletion of crude oil while also mitigating the impact of their combustion on the environment. It has recently been considered that n-butyl acetate (BA, C6H12O2 , boiling point of 399K) could be a viable oxygenate additive to diesel fuel. In this application it is important to determine the influence of the fractional amount of BA on burning of the mixture. This presentation considers this problem from an experimental and computational approach using n-heptane (C7H14 , boiling point of 372K) as an essentially single component surrogate for diesel fuel. The burning configuration considered was ostensibly spherical symmetry as promoted by burning droplets under conditions where forced and natural convection effects were minimized. In this configuration the droplet and flame are concentric spheres and soot aggregates are trapped in a shell structure between the droplet and flame. Measurements were made of the droplet, flame and soot shell diameters through video imaging of the burning process. The experimental results were used to validate a detailed numerical model of the spherically symmetric droplet burning process that incorporated a consistent combustion kinetic mechanism for BA/heptane mixtures, comprised of 402 species and 16,872 reactions inclusive of soot chemistry. A model for soot formation was also included in the simulation to predict formation of the soot shell. The simulations agreed well with measured droplet and flame diameters. It was found both experimentally and computationally that adding BA to heptane had a minimal effect on the mixture burning rate, while the flame was positioned closer to the droplet surface and the simulated soot volume fraction decreased. The implications of these results are discussed for using BA as a potential additive to diesel fuel.

09 BIOMASS FUELS↗
DOE OSTI2024

Delivering Clean Air in Denver: Propane Trucks and Infrastructure in Mail Delivery Application

In 2021, Drive Clean Colorado, a Denver-based Clean Cities coalition, initiated the deployment of five Class 6 medium-duty propane autogas delivery trucks into a United States Postal Service (USPS) mail delivery contractor fleet with the goal of providing a proof-of-concept demonstration for mail delivery fleets nationwide. Funded by the U.S. Department of Energy's Office of Energy Efficiency & Renewable Energy, the project, titled "Delivering Clean Air in Denver: Propane Trucks and Infrastructure in Mail Delivery Application," enabled the purchase and deployment of the propane-powered trucks, refueling infrastructure, and supporting analysis by the National Renewable Energy Laboratory (NREL). Key objectives of the analysis included calculating the propane vehicles' emissions reductions, analyzing the costs and operational performance of the propane fleet compared to conventional diesel-powered vehicles, and evaluating the viability of propane as a clean and cost-effective alternative to conventional diesel trucks (AFDC 2023b, 2023c). The primary goal of the project was to demonstrate alternative fuel vehicles in a mail transport application and evaluate the viability of propane as a clean and cost-effective alternative to conventional diesel trucks. This proof-of-concept demonstration is expected to lead to improved understanding of the performance attributes, costs, and operational issues to inform technology adoption decisions, helping to spur market transformation toward lower-emission truck fleets. By reducing the risk of first adoption, potential exists to transform the U.S. Postal Service (USPS) mail delivery system into a lower-carbon national fleet. This technical report details the vehicle duty cycle characterization and fleet cost and performance comparison performed by the National Renewable Energy Laboratory, in addition to estimated emissions reductions for delivery operations.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

TCO Analysis Approach and Regional Analysis of dWPT for Class 8 Tractors

Dynamic Wireless Power Transfer (dWPT) is a method by which battery electric vehicles (BEVs) can charge their battery while traveling on the road without the need for a physical conductive connection to the power source. dWPT has been proposed as a strategy to enable a reduction in vehicle battery capacity and associated mass and cost. In this slide deck presented at the EVs@Scale Consortium - Wireless Power Transfer Pillar Deep-Dive Meeting on November 11th, 2023, NREL provides results from an evaluation of dWPT using data from Class 8 tractors driving in the Atlanta Metro Area. NREL selected data for archetypal days representing local, regional, and long-haul trips, defined according to trip length, that included travel on primary roadways. EVI-InMotion (Electric Vehicle Infrastructure - InMotion), a systems planning and optimization tool developed at NREL, was used to evaluate dWPT performance assuming dWPT charging on 120 road segments for a total roadway lane distance of 2,365 miles. The EVI-InMotion results and representative day drive cycles were analyzed with NREL's T3CO (Transportation Technology Total Cost of Ownership) tool to estimate the total cost of ownership (TCO) for scenarios comprising two model years - 2030 and 2040 - and two technology progress cases. TCO was calculated for diesel, fuel cell electric, BEVs with batteries sized assuming no dWPT capabilities, and 200kWh BEVs with dWPT installed. This analysis finds that en-route stationary charging frequency and downtime when not on electrified roadways are the main contributors to TCO for the dWPT vehicles and that these vehicles can achieve cost parity with FCEVs at low electricity costs. Based on the scenario assumptions used here, low electricity costs would further help the cost parity with diesel vehicles in regional and long-haul cases due to stationary fueling downtime. This presentation also concludes that key factors affecting the parity potential of dWPT-capable vehicles include more extensive dWPT road coverage, higher en-route charging power, less expensive power batteries, and higher hydrogen or diesel fuel costs.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2024

Sustainable Solar Energy for Hughes Village (Hudotl’eekkaakk’e Tribe) (Final Technical Report)

Hughes Village Council is the local Tribal government for Hughes, Alaska. With the funding from this project, the Village Council designed and installed a 120kW solar Photo Voltaic (PV) array with a 250 kW/335kWh lithium-ion battery bank that has offset diesel consumption in the community by an estimated 10% per year. This translates to approximately 6,000 gallons of fuel per year. The goal is to reduce diesel consumption and turn the diesel generators off for certain periods of the Alaskan summer when solar PV is abundant and electrical loads in the community are low. Daily generator logs from the community show an average load of approximately 50kW-60kW with peaks ranging from 100kW-160kW. This project aligns with the tribe’s mission to work towards tribal energy sovereignty, utilizing sustainable energy technologies, and their overall goal of 25% clean energy by 2025.

14 SOLAR ENERGY↗
DOE OSTI2026

A Large-Scale Hardware Experiment Demonstration of Operating High Inverter-Based Resource Power Systems With Grid-Forming Inverters

This paper presents experimental hardware results from a microgrid system as the penetration level of grid-forming (GFM) inverters increases. The experiment aims to showcase the advantages of GFM inverters in enhancing system stability and to investigate the operational challenges in systems relying entirely on inverter-based resources (IBRs). Five test scenarios are devised to progressively increase GFM inverter penetration levels: 0% (S1), 19% (S2), 37% (S3), 68% (S4), and 100% (S5). To ensure consistency, identical loading conditions and dynamic events are applied across all scenarios. The conducted tests include load step changes, output variation of grid-following (GFL) inverters during islanded mode, transition operations (such as synchronization to the grid and islanding), and rateof- change-of-frequency (ROCOF) and voltage jump tests during grid-connected mode. Key findings from the tests are summarized as follows: (1) Scenario S1 proved most challenging for load steps, and GFL variations because of insufficient GFM capacity, leaving the diesel generator unable to handle transient ridethrough; (2) Scenario S5 was the most difficult for transition operations, because the lack of a diesel generator to maintain stiff bus voltage resulted in unexpected reactive power flows during synchronization, causing the point of common coupling (PCC) breaker to trip; (3) Scenarios S4 and S5 were particularly challenging for ROCOF tests because of minimal system inertia, leading to large transients that triggered breaker trips; and (4) Scenario S4 exhibited the strongest voltage recovery capability because of the presence of the diesel generator and a higher number of GFM inverters, both of which possess the highest capacity for reactive power injection.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Autoignition Delay Time Measurements of Dimethyl Ether at 110 Bar Inside a Shock Tube

Fuel mixtures of propane and dimethyl ether have been proposed as potential diesel substitutes for use in compression-ignition engines. There is an interest in phasing out diesel fuel because its combustion byproducts are harmful to the environment. Propane and dimethyl ether burn cleaner and produce significantly less carbon dioxide than diesel. The combustion of these fuels at engine-relevant conditions must be characterized to create an engine capable of running on propane and dimethyl ether. In this work, IDT measurements of stoichiometric neat DME diluted in 75% argon were completed for temperatures spanning 800-1200K at 110 bar. A shock tube will be used for all experiments in this work. Experimental IDTs were then compared to simulated values using several well-established mechanisms in the literature.

Guenther, Aaron C. [University of Central Florida]↗
DOE OSTI2025

Design of a High-Pressure Fuel System for Use with Dimethyl Ether

The paper documents the modeling and experimental work on a common rail fuel injection system for Dimethyl Ether, a potential diesel substitute with a low carbon intensity signature. The DME fuel system is deployed on a light duty 2.2L compression ignition engine. The paper describes the injector optimization to shift to higher flows to account for the lower heating value and density of the DME when compared to diesel. The type of the injection system used for the DME application is an advanced rendering of the Common rail noted for a one-piece piston-needle injector construction and a solenoid driven spill valve featuring a pressure balanced poppet. A dedicated high-pressure fuel pump designed to pressurize DME is used. The design results in a fast acting open and close injection event, reduced leakage, with reduced cavitation in the fuel injector volume. Design parameters for system optimization included fill and spill orifices, needle lift, bias spring, and injector hole size. The design model provides good correlation of the instantaneous rates of injection with experiments across a wide range of pressure and injection timings. Proposed performance milestones for the design included similar DME injection duration to the diesel counterpart for same fuel energy injected into the cylinder to retain high engine cycle efficiency. Here, the dedicated DME design provided reduced hydraulic delays of 50%. Tests demonstrated sustained operation at pressures of 1000 bar, with capability to reach 1500bar. Durability tests showed no cavitation-deterioration over a 200-hour test cycle by means of spray imaging and hardware inspection.

De Ojeda, William [WM International Engineering, L↗
DOE OSTI2022

Assessment Framework of Marine Hydrokinetic Technologies for Microgrid Applications

Communities in Alaska that are not connected to a regional grid (referred to hereafter as grid-islanded Alaskan communities) rely heavily on stand-alone generators with imported diesel fuel as the primary source of energy. Several of these grid-islanded Alaskan communities have the potential to harness significant wave, tidal, and hydrokinetic power; many also have hydropower or wind potential that could complement these resources. The implementation of marine and hydrokinetic energy focused microgrids in these communities would diversify their energy profiles, with the potential in many communities to keep costs flat while reducing dependance on diesel. This would enhance resilience and reduce environmental impacts. This seedling proposal will systematically identify grid-islanded coastal communities in Alaska with wave, tidal, and hydrokinetic energy potential to add fuel diversity to generation, applying microgrid integration methods and strategies that will meet the community’s needs. This proposal is in partnership with the Alaska Center for Energy and Power (ACEP) and XENDEE Corporation who bring extensive expertise in Alaskan communities and microgrid technoeconomic assessment, respectively. This project will deliver: (1) a database of grid-islanded communities that are candidates for MHK based microgrids, (2) an assessment of possible microgrid integration methods and strategies related to tidal, wave, and hydrokinetic technologies, and (3) a MHK development plan for the XENDEE Microgrid design platform and planning tool that can serve these grid-islanded communities and project developers. In the final stage, the planning tool will allow for the comprehensive comparison between diesel based and MHK based renewable generation.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Providing Levelized Cost and Waiting Time Inputs for HDV Hydrogen Refueling Station Planning: A Case Study of U.S. I-75 Corridor

Widespread use of diesel fuels in freight transportation leads to greenhouse gas (GHG) emissions that play an important role in air pollution. The air pollution, as well as the energy crisis, drives the transition from diesel fuel to cleaner and more energy-efficient fuels such as hydrogen fuels. With such a transition, the strategic planning and optimization of supporting refueling infrastructure along the national highway for heavy-duty vehicles (HDVs) become a necessity. Cost and service level are two essential factors to be considered in hydrogen refueling station location and capacity optimization. The service level in this study is assessed by the delay (waiting time) at fueling stations as well as the fueling demand fulfilled. To this end, this study presents a methodology to provide waiting time (delay) and levelized hydrogen fuel cost inputs under different station configurations (number of dispensers and fill rates) for hydrogen refueling station planning. Determining the station configurations based on the trade-off between the two inputs is further discussed. Particularly, this study points out that the levelized cost and waiting time are affected by hourly demand patterns and estimates the two inputs under different peak hour fueling demand scenarios. The results suggest that, with the same daily demand, the cost, as well as the waiting time, increases obviously with the peak hour demand. In the case study, the cost grows at least 30% when the peak hour visit frequency of the daily total visits increases from 5% (evenly distributed pattern) to 10% (the most common pattern for existing diesel fueling stations along I-75). Accounting for this peak hour effect in hydrogen refueling station planning is recommended. Overall, the waiting time model and cost analysis provide key inputs for optimizing hydrogen refueling station location and configurations based on anticipated refueling demand patterns. The paper is the second in a series that aims to build a comprehensive modeling plan and optimize hydrogen refueling infrastructure along the Interstate 75 (I-75) corridor for HDVs.

Liu, Yuandong↗
DOE OSTI2022

MODELING AND PARAMETRIC STUDY OF END-GAS AUTOIGNITION TO ALLOW THE REALIZATION OF ULTRA-LOW EMISSIONS, HIGH-EFFICIENCY HEAVY-DUTY SPARK-IGNITED NATURAL GAS ENGINES

Engine knock and misfire are barriers to pathways leading to high-efficiency Spark-Ignited (SI) Natural Gas (NG) engines. The general tendency to knock is highly dependent on engine operating conditions and the fuel reactivity. The problem is further complicated by the low emission limits and the wide range of chemical reactivity in pipeline-quality natural gas. Depending on the region and the source of the natural gas, its reactivity, described by its Methane Number (MN), which is analogous to the Octane Number for liquid SI fuels, can span from 65 to 95. In order to realize diesel-like efficiencies, SI NG engines must be designed to operate at high Brake Mean Effective Pressures (BMEP), near or beyond knock limits, over a wide range of fuel reactivity. This requires a deep understanding of the combustion-engine interactions pertaining to flame propagation and End-Gas Autoignition (EGAI), i.e., the autoignition of the unburned gas (end gas) ahead of the flame front. However, EGAI, if controlled, provides an opportunity to increase SI NG engine efficiency by increasing the combustion rate and the total fraction of burned fuel, mitigating the effects of the slow flame speeds characteristic of natural gas fuels, which generally reduce BMEP and increase unburned hydrocarbon emissions. For this reason, to realize diesel-like efficiencies and ultra-low emissions on SI NG engines, this work proposes the study of the main parameters influencing the modeling and prediction of NG EGAI to allow for its control. In this work, a novel EGAI detection and onset determination method was developed to reliably quantify EGAI for data analysis and engine control. The new method allowed the prediction of EGAI on SI NG engines without the need to use engine- and operating-condition-dependent thresholds and reduced the error in quantifying the fraction of the total energy released by the EGAI event by up to 40%pts. One- and three-dimensional engine models were then developed to study the engine/fuel interactions that lead to NG EGAI and its performance benefits. These models, although having decent agreement with experimental data, showed the need to account for NOx chemistry when predicting NG EGAI due to a consistently later prediction of the EGAI onset (~1.65 crank-angle degrees) and thus, a new reduced chemical mechanism for real NG fuels was developed containing NOx chemistry. The new reduced mechanism improved the EGAI onset prediction agreement to within ±0.5 crank-angle degrees and decreased simulation time during combustion by nearly 50% when using the further reduced AREIS50NOx chemical mechanism. These models were then used to study the role of NG composition on EGAI, evaluate the engine/fuel interactions leading to NG EGAI, and perform engine optimization while leveraging EGAI to increase thermal efficiency. Piston design optimization combined with a Controlled EGAI (C-EGAI) combustion mode allowed a Heavy-Duty (HD) SI NG engine to operate at diesel-like efficiencies, i.e., Brake Thermal Efficiency (BTE) ≥44%. Experimental and modeling data analysis revealed that earlier and faster heat release increases combustion efficiency by an average of 1%pts, increases work transferred to the piston resulting in a decrease in exhaust losses by 50% depending on the engine operating condition while slightly increasing heat losses. Finally, the simulation results revealed an opportunity to further enhance the BTE (up to 50%) by enabling C-EGAI combustion at leaner conditions, λ=1.4-1.6.

Bestel, Diego Bernardi↗
DOE OSTI2023

Design optimization of an ethanol heavy-duty engine using design of experiments and bayesian optimization

Diesel-fueled engines still hold a large market share in the medium and heavy-duty transportation sector. However, the increase in fossil fuel prices and the strict emission regulations are leading engine manufacturers to seek cleaner alternatives without a compromise in performance. Alcohol-based fuels, such as ethanol, offer a promising alternative to diesel fuel in meeting regulatory demands. Ethanol provides cleaner combustion and lower levels of soot due to its chemical properties, in particular its lower level of carbon content. In addition, the stoichiometric operating conditions of alcohol fueled engines enable the mitigation of NOx emissions in aftertreatment stage. With the promise of retrofitting diesel engines to run on ethanol to reduce emissions, the thermal efficiency of these engines remains the primary optimization target. In order to find the optimal ethanol-fueled engine design that maximizes the thermal efficiency, a large design space needs to be investigated using engineering tools. In this study, previous research by the authors on optimizing the design of a single-cylinder ethanol-fueled engine was extended to explore the design space for a heavy-duty multi-cylinder engine configuration. A heavy-duty engine setup with multiple operating conditions at different engine speeds and loads were considered. A design optimization analysis was performed to identify the potential designs that maximize the indicated thermal efficiency in an ethanol-fueled compression ignition engine. First, a computational fluid dynamics (CFD) model of the engine was validated using experimental data for four drive cycle points. Using a design of experiments (DoE) approach and a parameterized piston bowl geometry, the model was then exercised to explore the relationship among geometric features of the piston bowl and spray targeting angle and indicated thermal efficiency across all tested operating conditions. After evaluating 165~candidate designs, a piston bowl geometry was identified that yielded an increase between 1.3 to 2.2 percentage points in indicated thermal efficiency for all tested conditions, while satisfying the operational design constraints for peak pressure and maximum pressure rise rate. The increased performance was attributed to enhanced mixing that led to the formation of a more homogeneous distribution of in-cylinder temperature and equivalence ratio, higher combustion temperatures, and shorter combustion duration. Finally, a Bayesian optimization (BOpt) analysis was employed to find the optimal piston bowl geometry with a fixed spray injector angle for one of the operating conditions. Using BOpt, a piston candidate was identified that resulted in a 1.9~percentage point increase in thermal efficiency from the baseline design, yet only required 65\% of the design samples investigated using the DoE approach.

Tekgul, Bulut↗
DOE OSTI2025

FLEX-FUEL MIXING CONTROLLED COMBUSTION ENABLED BY PRECHAMBER IGNITION

There is an imminent need to displace fossil diesel fuel with cleaner burning, domestically produced, renewable fuels for use in heavy-duty engines. Bioethanol is a prime candidate as it widely adopted in the U.S. as a gasoline additive ranging in volume percentage from 10% (E10) up to 85% (E85). Direct substitution of market available ethanol-gasoline blends for diesel fuel is not plausible as the stark reactivity differences would not constitute the same ignition quality nor achieve auto-ignition at all. This work focuses on the development of prechamber enabled mixing-controlled combustion (PC-MCC) as an advanced combustion strategy to facilitate reliable ignition and diffusion style combustion ethanol-gasoline fuel blends. PC-MCC involves integration of an actively fueled prechamber (PC) into a conventional compression ignition combustion system. When ignited, the PC ejects hot turbulent jets into the main combustion chamber that then interact with the direct injected fuel, prompting immediate ignition. The PC jet flames provide a robust thermal ignition source that allows the engine to operate agnostic of fuel composition, or flex-fuel. Computational fluid dynamics (CFD) modeling was used to assess critical design features of the PC while garnering insights into the ignition strategies that facilitate robust performance. A key finding was the ignition performance benefits of fuel-rich PC operation which yield exothermic jets. Based on the numerical findings, a prototype igniter was tested experimentally on both single and multi-cylinder engine platforms at a variety of operating conditions. The experimental results indicate flex-fuel PC-MCC is well capable of diesel-like combustion processes by demonstrating matched or improved gross thermal efficiencies and load variability within 2%. Fuel grade ethanol (E98) exhibited consistently lower NOx and immeasurable soot across the load space. E98 also demonstrated a significant improvement in thermal efficiency at light loads.

Zeman, Jared↗