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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Elucidating the differences in oxidation of high-performance α- and β- diisobutylene biofuels via Synchrotron photoionization mass spectrometry

Abstract Biofuels are a promising ecologically viable and renewable alternative to petroleum fuels, with the potential to reduce net greenhouse gas emissions. However, biomass sourced fuels are often produced as blends of hydrocarbons and their oxygenates. Such blending complicates the implementation of these fuels in combustion applications. Variations in a biofuel’s composition will dictate combustion properties such as auto ignition temperature, reaction delay time, and reaction pathways. A handful of novel drop-in replacement biofuels for conventional transportation fuels have recently been down selected from a list of over 10,000 potential candidates as part of the U.S. Department of Energy’s (DOE) Co-Optimization of Fuels and Engines (Co-Optima) initiative. Diisobutylene (DIB) is one such high-performing hydrocarbon which can readily be produced from the dehydration and dimerization of isobutanol, produced from the fermentation of biomass-derived sugars. The two most common isomers realized, from this process, are 2,4,4-trimethyl-1-pentene (α-DIB) and 2,4,4-trimethyl-2-pentene (β-DIB). Due to a difference in olefinic bond location, the α- and β- isomer exhibit dramatically different ignition temperatures at constant pressure and equivalence ratio. This may be attributed to different fragmentation pathways enabled by allylic versus vinylic carbons. For optimal implementation of these biofuel candidates, explicit identification of the intermediates formed during the combustion of each of the isomers is needed. To investigate the combustion pathways of these molecules, tunable vacuum ultraviolet (VUV) light (in the range 8.1–11.0 eV) available at the Lawrence Berkeley National Laboratory’s Advanced Light Source (ALS) has been used in conjunction with a jet stirred reactor (JSR) and time-of-flight mass spectrometry to probe intermediates formed. Relative intensity curves for intermediate mass fragments produced during this process were obtained. Several important unique intermediates were identified at the lowest observable combustion temperature with static pressure of 93,325 Pa and for 1.5 s residence time. As this relatively short residence time is just after ignition, this study is targeted at the fuels’ ignition events. Ignition characteristics for both isomers were found to be strongly dependent on the kinetics of C 4 and C 7 fragment production and decomposition, with the tert-butyl radical as a key intermediate species. However, the ignition of α-DIB exhibited larger concentrations of C 4 compounds over C 7 , while the reverse was true for β-DIB. These identified species will allow for enhanced engineering modeling of fuel blending and engine design.

09 BIOMASS FUELS↗
DOE OSTI2023

Demonstration of Multi-Gamma Based Sensor Technology for As-Fired Coal Property Measurement

This project demonstrated the application of the use of an advanced multigamma attenuation (MGA) sensor to accurately and precisely measure coal properties at the point of injection into burners. Accurate and precise coal property information at the burner provides the opportunity to adjust burner parameters to better follow changing load condition, optimize flame stability, and decrease nitrogen oxide formation at each burner. In addition, coal property information at the burner will assist in managing slag flow behavior, fireside ash related deposition, corrosion, and erosion issues. The advantage of having multiple gamma emitters is that the atomic/elemental interaction with the gamma energy takes place at several energies and the resulting attenuation is dependent upon the atomic number of the atom/element encountered in the coal.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Fog and Froth-based Post Combustion CO 2 Capture in Fossil Fuel Power Plants

The University of Kentucky (UK) project titled “Fog+Froth-Based Post-Combustion CO 2 Capture in Fossil Fuel Power Plant”, DE-FE0031733, was conducted from 5/1/2019 to 12/31/2023 in two Budget Periods (BPs), with BP1 from 5/1/2019 to 1/31/2021 and with BP2 from 2/1/2021 to 12/31/2023. The overall goal is to reduce the CO 2 capture capital and operating cost by reducing the absorber size. Other participants included Industrial Climate Solutions, Inc. (ICSI), ALL4 and NexantECA. All project deliverables, milestones, and success criteria were met. Scaled-up demonstration of the compact absorber is planned and two specific aspects of the project demonstration, the solvent spray and the low absorber bottom packing temperature, have been incorporated into the overall UK CO 2 capture process which is on the road to large scale verification and commercialization.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Design and Operability of a Pressurized Oxy Combustion System

Fossil fuel powers more than two-thirds of the world’s electricity, a significant share of which is derived from coal power plants. Despite coal being an abundant and energy-rich fuel, the major halt to its progress is greenhouse gas emissions. Pressurized oxy-combustion cycles can achieve theoretically high thermal efficiencies along with a 90% carbon capture rate. Additionally, the high energy density allows smaller turbomachinery and save capital cost. Thus, the primary objective of this dissertation is to present the design and operability of a pressurized oxy-combustor system. The initial part of the dissertation investigates different thermodynamic cycles and presents a model that can be adapted for existing power plants. The thermodynamic model will be used in the later part to design the proposed combustor. The two cycles analyzed are ENEL and TIPS. This study focuses on qualitative analyses of the cycles using a commercially available software called Aspen Plus®. A detailed benchmark study has been performed to validate the modeling process. ENEL and TIPS cycles are designed in the software, adopting the same principles. Recirculation ratio and pressures are varied to find the efficiency range of the cycles. Power calculations are done to find overall and net efficiency for a fixed recirculation ratio. The efficiencies of the cycles are compared to select an optimum cycle. A recirculation ratio of 50% is selected for implementation. The comparison shows that ENEL is marginally efficient over TIPS, at the cost of a pressure difference of about 70bars. Technology Readiness Level analysis is performed to present the availability of the specialized equipment for the cycles. From the TRL analysis, it is seen that the cost and availability of high viii pressure equipment surmount the edge of TIPS over ENEL. Thus, ENEL is chosen as the better cycle for investigating a scaled experiment considering efficiency and viability. The later part of the dissertation focuses on developing the combustor's design for a pressurized oxy-combustion cycle. The proposed combustor is a powerhead-mounted design aimed to produce 1MW of thermal outputThe different aspects of the design of a down-fired pressurized swirl combustor are presented in this dissertation.

Chowdhury, Mehrin↗
DOE OSTI2022

High-Fidelity Simulations of Supercritical CO2 Based Oxy-Combustion with Non-Ideal Equation of State

The supercritical carbon dioxide (sCO2) Allam-Fetvedt cycle employs high-temperature oxy-combustion using sCO2 as the working fluid, leading to a unique and challenging environment for materials. In this cycle, pressurized gaseous fuel is combusted in the presence of a hot oxidant flow containing a mixture of CO2 and oxygen and a hot CO2 diluent recycle stream at approximately 300 bar under lean combustion conditions. We present high-fidelity reacting simulations of this oxy-combustor environment and compare the results when performing simulations with ideal and non-ideal equations of state. By doing so, we identify if the combustor behavior at the regime of interest is sensitive enough to the equation of state to justify the added computational cost incurred with a non-ideal equation of state.

equation of state↗
DOE OSTI2024

Hestia SW-IFL Onroad Fossil Fuel Carbon Dioxide (FFCO2) product: Road segment-level annual FFCO2 emissions across Arizona (2017-2022), version 1.1

The SW-IFL onroad fossil fuel carbon dioxide (FFCO2) emissions data product represents CO2 emissions from the combustion of fossil fuels by motor vehicles (e.g., passenger cars, trucks, buses, motorcycles) traveling on designated roadways. The emissions are represented geographically on each road segment within the state of Arizona spanning the 2017 to 2022 time period. This data product was developed as part of the Southwest Urban Corridor Integrated Field Laboratory (SW-IFL) project, which aims to provide new knowledge and tools that address urban environmental issues by integrating high-resolution observations, modeling, and civic engagement. The emissions data are provided in CSV (input data, ONR_FFCO2_AZ_county.csv) and GeoPackage form (output polyline objects - about 786,000 road segments, XXXX_AZ_v1.1.gpkg) designated by road class (interstates, arterials, collectors, local). The metadata file (Metadata_SW-IFL_Onroad_annualFFCO2_v1.1.docx) provides details about attributes and data formats. The GeoPackage emissions data are provided separately for local roads and nonlocal roads (interstates, arterials, collectors). The method file (Methods_SW-IFL_Onroad_annualFFCO2_v1.1.docx) describes the data processing flow and data sources. Update on 2024-04-17: Updates were made to both the input emission data file (.csv) and output segment-level emission file (.gpkg). There was an update in county-level emission input data (ONR_FFCO2_AZ_county.csv) and the entire road segments were reprocessed to reflect this update.Update on 2024-04-29: Update was made to one output segment-level emission file (Nonlocal_AZ_v1.0.gpkg). There was an error in the AADT values and the data were reprocessed to reflect this update.Update on 2024-10-22: Temporal coverage was extended to include 2022. VMT values were recalculated using new AADT data and the entire road segments were reprocessed to reflect these updates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A Novel Dew Point Meter: Application to the Measurement of the Sulfuric Acid Dew Point for Combustion Flue Gas

Accurate knowledge of acid dew point is essential for industrial and applied combustion applications. Sulfur in the fuel or raw materials is converted to sulfur dioxide (SO2) during combustion, and a portion of the SO2 is oxidized to sulfur trioxide (SO3). The SO3 will react to form H2SO4 vapor when in the presence of water vapor. Even with just trace levels of H2SO4 vapor in the gas phase (1-10 ppm), the dew point can reach 100°C and higher. To avoid acid condensation and the resulting corrosion on heat recovery equipment, plant engineers must ensure that surface temperatures are above the acid dew point, but this decreases the efficiency of thermal energy recovery. Thus, there is a trade-off between minimizing equipment corrosion and maximizing thermal energy recovery, and the acid dew point is a key parameter for this optimization. Commercially available acid dew point meters use electric conductivity sensors. These sensors are known to greatly underestimate the dew point due to their low sensitivity. In addition, no validation testing has been reported for these units and they are often expensive. In this work, we analyze the theory of the sulfuric acid condensation and develop a novel dew point meter based on this analysis. The meter consists of a novel optical instrument that is designed to monitor the slightest appearance of condensation on a hydrophobic window surface as the surface temperature of the window is slowly decreased. In this way, an accurate measurement of the dew point is obtained under a wide range of concentrations. The basis of the instrument is that a collimated beam from a diode laser will generate forward scattered light when the beam encounters surface condensate, and a sophisticated array detector is used to sensitively monitor the onset of light scattering. The measurement procedures are established to rapidly find the acid dew point, while minimizing error. Further, to calibrate the dew point meter we developed a calibration system based on a liquid bubbler that can generate a stable gas flow with a known sulfuric acid dew point. Test results show that the dew point meter can accurately measure acid dew point over a wide range. For H2SO4 vapor concentrations as low as 6 ppm the acid dew point is measured with an error of only ~1°C. To demonstrate the versatility of this instrument, the dew point meter was adapted for use with a high-pressure flow cell to allow for measurements of the dew point of flue gas from pressurized oxy-fuel combustion in a 100 kWth pressurized reactor.

Cheng, Mao↗
DOE OSTI2024

Testing- and Model- Based Optimization of Coal-fired Primary Heater Design for Indirect Supercritical CO 2 Power Cycles (Final Scientific and Technical Report)

The overall objective of this project was to perform the R&D necessary to mitigate the risk associated with the design of a primary heat exchanger for a solid-fired combustion system coupled with an indirect-fired closed-loop Brayton Cycle utilizing supercritical CO 2 . The key technological hurdle was the coupling of a solid-fuel firing system with the primary heater, which poses a singular challenge, which is the management of burner performance and operational conditions in a way to manage heat exchanger tube metal temperatures and temperature ramp rates in the absence of fluid phase change on the inside of the tubes. We designed and built the first ever pseudo power system employing a simple recuperated supercritical CO 2 closed-loop Brayton Cycle coupled to a solid-fuel fired system. Advanced coupled CFD and process modeling were used to design the primary heat exchanger (PHX), which consisted of both radiative and convective sections, to limit tube metal temperatures resulting from the heat release profile of the solid fuel flame near the radiative tubes. The heat exchanger was designed to produce finished CO 2 temperatures of 600 °C a pressure of 20.7 MPa and CO 2 flow of 5.5 kg/s. The constructed PHX was capable of 1.2 MWth heat uptake. During design of the PHX, the modeling showed that most variables influencing flame shape (burner stoichiometric ratio and register velocities and swirl) were not suitable to manage heat flux to the metal surfaces. This is because they substantially increased adiabatic flame temperature through the influence of localized stoichiometric ratio. Excess air and firing rate were the two most powerful variables that could be used to control tube surface temperatures. The coupled system was operated for a total of 407 hours, with the longest continuous run of 248 hours. For 62% of the operational time, the unit was unmanned and in automatic control. The fuels used for the testing included natural gas, two Utah Bituminous coals, woody biomass, and bagasse. During the testing we were able to verify the 1.2 MWth heat uptake and we operated at a finished CO 2 temperature of 607 °C and a pressure of 20.3 MPa simultaneously. The real-time corrosion rate of the Super 304H tube CO 2 surface in the region of the radiative section of the PHX were measured, at an approximate temperature of 550 °C. The two key variables related to corrosion rate are the pressure and flow rate of the CO 2 . A technoeconomic analysis was performed at a scale of 120 MWE. The updated analysis showed that the efficiency of an sCO 2 power producing plant will be related to the pressure drop of the PHX.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Evaluation of semi-empirical soot models for nonpremixed flames with increased stoichiometric mixture fraction and strain

Due to the size and complexity of industrial-scale systems and computing limitations, semi-empirical soot models are often employed in CFD simulations rather than computationally-expensive detailed models. Many of these models were developed for specific applications with unique characteristic timescales and/or validated only under fuel-air combustion conditions. Hence, their use in different contexts, such as oxy-combustion, could lead to inaccurate predictions. In this study, twelve semi-empirical models (1-step or 2-step) are evaluated on their ability to respond to changes in stoichiometric mixture fraction (Z st ) and strain in a series of ethylene counterflow flames which span the experimental sooting-to-non-sooting (yellow to blue) transition. A unique approach of plotting soot formation rate in normalized, local equivalence ratio space is introduced to aid in the analysis. Results show that no existing model is able to predict a blue flame when Z st is increased beyond the experimentally-measured sooting limit. Many models give the counter-intuitive result of increasing peak and/or integrated soot volume fraction (svf) as Z st increased, contrary to experimental observations. Two models are able to successfully predict a blue flame upon increase of strain to the sooting limit value. For two-step models, the strong dependence of growth rate on surface area results in high sensitivity of svf to changing flame boundary conditions, but with mixed accuracy. There is still a significant need for a robust semi-empirical model which can accurately predict soot fraction in systems with oxygen-enrichment or variable strain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fuel property impacts on gaseous and PM emissions from a multi-mode single-cylinder engine

The U.S. Department of Energy’s Co-Optima initiative has focused on improving fuel economy and vehicle performance while reducing emissions through the simultaneous development of emerging sustainable fuels with beneficial properties and advanced combustion strategies. A major thrust has been the development of advanced compression ignition (ACI) combustion strategies of gasoline range fuels in combination with spark-ignited (SI) combustion in a single engine capable of multi-mode operation to achieve high power density with enhanced part load efficiency. The aim of this study was to further the understanding of how emissions from both ACI and SI strategies operating on the same fuels in the same engine are impacted by different fuel properties. This investigation focused on particulate matter (PM) and gaseous hydrocarbon emissions from 6 different fuels across 3 different combustion modes on the same single-cylinder engine designed for multi-mode operation: SI combustion, partial fuel stratification (PFS), and spark-assisted compression ignition (SACI). In each of these modes, 3 different CA50 phasings were studied such that all 6 fuels could be studied at the same phasings. Three of the six different fuels used were specially formulated in a previous investigation to study the impact of fuel distillation and aromatic content while maintaining the research octane number (RON) and octane sensitivity. Additionally, neat isooctane and two ethanol containing fuels (RD5-87 and Co-Optima E30) were studied. Different fuel and phasing impacts on emissions were observed across the three combustion modes. Fuel properties were found to impact soot PM and particle number more than the CA50 phasing, while the phasing had more impact on NOx emissions. The NOx emissions were reduced in the PFS mode for all fuels compared to SI combustion, but the SACI combustion mode did not reduce NOx emissions. Although PFS produced low soot PM emissions like SI, total PM mass emissions were significantly higher due to large organic carbon (OC) PM mass contribution. Both PFS and SACI had greater particle number emission than SI operation with small nuclei mode particles dominating in PFS compared to large agglomeration particles in SACI.

42 ENGINEERING↗
DOE OSTI2020

Operation and turndown of a segmented annular combustion system

The present disclosure is directed to the operation and turndown of a segmented annular combustion system. The method includes injecting, via a fuel nozzle, a combustible mixture into a primary combustion zone between an adjacent pair of integrated combustor nozzles and burning the combustible mixture. The method further includes flowing air and injecting fuel into a premixing channel defined within a first integrated combustor nozzle to produce a second combustible mixture. The second combustible mixture is injected into a secondary combustion zone where it is combusted. The flow of combustion gases is accelerated, via turbine nozzles of the integrated combustor nozzles, toward turbine blades of a downstream turbine section. The method permits turndown of the combustion system by reducing or shutting off fuel to various components of the combustion system.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Cloud based tool for analysis of chemical kinetic mechanisms

The size and complexity of chemical kinetic models used to simulate combustion of hydrocarbon fuels continue to increase with our improved understanding of the underlying physical mechanisms, along with the improved ability to utilize such models as the result of increased computational power and efficiency. As mechanisms grow beyond thousands of species and tens of thousands of reactions, it becomes increasingly difficult to manually check for errors and physical inconsistencies. In this work, we present several automated methods to check for such issues in the specification of chemical reaction models. First, we demonstrate how discontinuities in thermodynamic data can cause simulation difficulties manifested as long wall-clock times and convergence failures. To correct this type of problem, we describe an automated method for refitting thermodynamic parameters. We also outline several methods to check the timescales of reaction rate coefficients to ensure physical consistency. All the methods are made available through a web-based tool (https://combustiontools.llnl.gov) intended to aid mechanism developers and users to improve the accuracy and performance of fuel models used by the combustion community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Ion Chromatography and Combustion Ion Chromatography Analysis of Fuel Cell Effluent Water During Open Circuit Voltage

Open circuit voltage tests were conducted on sixteen 3M Ionomer and eight Nafion™ NR211 membranes. Lifetime distributions were determined, and ion chromatography (IC) techniques were used to measure fluoride, sulfate, trifluoro acetate, and oxalate ions. Combustion Ion Chromatography (CIC) was used to determine the total organic fluoride (TOF) associated with water soluble membrane degradation fragments. The ratio of these products relative to the fluoride release rates were used to infer the likely degradation mechanism for each membrane. Peroxide attack at the sulfonic acid side chain was determined to be the least relevant reaction pathway while the long-proposed polymer chain end unzipping appears to be the dominant mechanism. Abstraction of the tertiary fluorine in the NR211 backbone and side chain is evident by organic fluoride release rates higher than can be explained by unzipping alone.

25 ENERGY STORAGE↗
DOE OSTI2025

Rheology and engine performance of very low sulfur fuel oil blended with 10% fast pyrolysis and hydrothermal liquefaction oils in a 2-stroke crosshead engine

The performance and emissions for a downscaled single-cylinder 2-stroke crosshead engine were determined for a very low sulfur fuel oil (VLSFO) when blended with 10 wt.% fast pyrolysis (FP) or hydrothermal liquefaction (HTL) bio-intermediates. The FP and HTL oils were derived from biomass and were observed to contain lower molecular weight (MW) hydrocarbons than neat VLSFO (which was evaluated as a baseline comparison). The addition of either biofuel reduced the overall viscosity of the VLSFO. Aging tests at 50, 90, and 120°C showed that the dynamic viscosity of VLSFO increased with exposure time up to two weeks. Similar trends were observed for the FP and HTL blends, but a pronounced spike in viscosity occurred for these fuels during the early period of exposure. None of the viscosity increases exceeded the operational limits of fuel system pumps. Engine performance studies were conducted under low, medium and high load operational settings. The relative performance of the test fuels was highly dependent on operating condition. In general, the engine results for the three test fuels were similar, but modest improvements in brake thermal efficiency and brake specific fuel consumption were observed, which may be attributed to the heightened reactivity of low molecular weight fraction of the FP and HTL oils.

09 BIOMASS FUELS↗
DOE OSTI2022

Transforming Energy Through Sustainable Mobility: Expanding Low-Carbon Transportation R&D Solutions

As the nation's premier laboratory for cutting-edge transportation decarbonization research and development solutions, the National Renewable Energy Laboratory (NREL) pioneers the creation and deployment of sustainable mobility technologies and strategies, with a focus on slashing transportation sector greenhouse gas emissions and combatting climate change. Trucks, planes, cargo ships, and other difficult-to-decarbonize vehicles are part of this essential transition for the transportation sector, which is currently the nation's largest source of the greenhouse gas emissions. NREL provides the scientific building blocks needed to spur innovation through multifaceted analysis, research, and engineering. This work acts as a catalyst to help industry bring affordable, high-performance, energy-efficient, and low-emission modes of transport and related infrastructure to market sooner. Our researchers collaborate closely with academic, government, and industry partners to design better batteries, drivetrains, and engines. They develop technologies for high-power charging, thermal management, energy storage, and power electronics. They are also reimagining fuels and combustion while creating sustainable lightweight materials. Unbiased expert guidance - backed by credible data and analysis, tools, and scientific rigor - empowers partners to make informed decisions about sustainable transportation. NREL recognizes that communities with limited mobility options face reduced access to employment opportunities, health care, and education, lowering overall quality of life. Alongside partners, NREL experts are creating transportation solutions that meet community-identified needs and increase mobility equity in historically underserved and overburdened communities. Rather than providing a one-size-fits-all solution, we take an interdisciplinary approach to mobility equity that considers the needs and challenges of diverse groups, maximizing benefits at the individual, community, and societal levels.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Simultaneous Control of Unburned NH 3 and NO x Emissions From High Load Dual-Fuel Ammonia Operation on a High-Speed Diesel Engine Using a Cu-SCR System

Dual-fuel ammonia strategies are being investigated as a promising way to utilize NH 3 as an alternative fuel for internal combustion engines in the maritime sector. One of the remaining barriers to implementing dual-fuel NH 3 combustion strategies is understanding ways to minimize unburned NH 3 and nitrogen oxide (NO x ) emissions from these engines, both of which are elevated relative to a conventional diesel baseline. Selective catalytic reduction (SCR) systems are widely used for lean NO x emission controls for engines across transportation and stationary energy applications. SCR systems use a reducing agent, such as NH 3 , to react with NO x in the exhaust, converting it into nitrogen and water. Typically, NH 3 is injected into the exhaust as a urea solution. In dual-fuel NH 3 engines, where unburned NH 3 is present in the exhaust, an SCR system could be used to mitigate both NH 3 and NO x emissions. The presented work evaluates a commercial copper-zeolite SCR and ammonia slip catalyst system, designed for on-road diesel engine applications, for controlling unburned NH 3 and NO x emissions from a dual-fuel NH 3 combustion engine. The aftertreatment system was installed downstream of a single-cylinder four-stroke diesel engine that has been modified for dual-fuel ammonia use. Furthermore, the emissions were characterized by using a Fourier transform infrared spectrometer for both late- and early-injection diesel pilot strategies over three air–fuel equivalence ratios spanning from 1.6 to 1.0 at 1200 rpm and 12.6 bar IMEP g condition (with greater than 95% ammonia energy fraction). Initial findings indicate that the SCR achieves more than 99% NO x conversion with less than 50 ppm NH 3 slip at air–fuel equivalence ratios greater than 1.4 at the operating conditions investigated. However, these benefits are accompanied by additional N 2 O emissions that are formed over the Cu-SCR.

Catalysts↗