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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Inorganic Hydrogeochemistry in the 21st Century

Abstract Chemical and isotopic processes occur in every segment of the hydrological cycle. Hydrogeochemistry—the subdiscipline that studies these processes—has seen a transformation from “witch's brew” to credible science since 2000. Going forward, hydrogeochemical research and applications are critical to meeting urgent societal needs of climate change mitigation and clean energy, such as (1) removing CO 2 from the atmosphere and storing gigatons of CO 2 in soils and aquifers to achieve net‐zero emissions, (2) securing critical minerals in support of the transition from fossil fuels to renewable energies, and (3) protecting water resources by adapting to a warming climate. In the last two decades, we have seen extensive activity and progress in four research areas of hydrogeochemistry related to water‐rock interactions: arsenic contamination of groundwater; the use of isotopic and chemical tracers to quantify groundwater recharge and submarine groundwater discharge; the kinetics of chemical reactions and the mineral‐water interface's control of contaminant fate and transport; and the transformation of geochemical modeling from an expert‐only exercise to a widely accessible tool. In the future, embracing technological advances in machine learning, cyberinfrastructure, and isotope analytical tools will allow breakthrough research and expand the role of hydrogeochemistry in meeting society's needs for climate change mitigation and the transition from fossil fuels to renewable energies.

Zhu, Chen (ORCID:0000000153746787)↗
DOE OSTI2024

Photoenzymatic asymmetric incorporation of fluorinated motifs into olefins

Enzymes capable of assimilating fluorinated feedstocks are scarce, which poses a challenge for the biosynthesis of fluorinated compounds used in pharmaceuticals, agrochemicals, and materials. We develop a photoenzymatic hydrofluoroalkylation that adeptly integrates fluorinated motifs into olefins. The photoinduced promiscuity of flavin-dependent ene-reductases enables generation of carbon-centered radicals from iodinated fluoroalkanes, which are directed by the photoenzyme to engage enantioselectively with olefins. This approach facilitates stereocontrol through interaction between a singular fluorinated unit and the enzyme, securing high enantioselectivity at β-, γ-, or δ-positions of fluorinated groups via enzymatic hydrogen atom transfer, a process notably challenging with conventional chemocatalysis. This work advances enzymatic strategies for integrating fluorinated chemical feedstocks and opens new avenues for asymmetric synthesis of fluorinated compounds.

Li, Maolin↗
NASA NTRS1972

The Apollo 15 X-ray fluorescence experiment

The objectives of Apollo 15 X-ray fluorescence experiment were to obtain a partial chemical map of a large portion of the moon. Gamma ray and alpha particle experiments were also performed. Mapping information from approximately 150 deg east on the moon to about 50 deg west was secured. Secondary X-rays characteristic of silicon, aluminum, and magnesium were measured.

Adler, I.↗
DOE OSTI2024

Asymmetric photoenzymatic incorporation of fluorinated motifs into olefins

Enzymes capable of assimilating fluorinated feedstocks are scarce. This situation poses a challenge for the biosynthesis of fluorinated compounds used in pharmaceuticals, agrochemicals, and materials. We developed a photoenzymatic hydrofluoroalkylation that integrates fluorinated motifs into olefins. The photoinduced promiscuity of flavin-dependent ene-reductases enables the generation of carbon-centered radicals from iodinated fluoroalkanes, which are directed by the photoenzyme to engage enantioselectively with olefins. This approach facilitates stereocontrol through interaction between a singular fluorinated unit and the enzyme, securing high enantioselectivity at β, γ, or δ positions of fluorinated groups through enzymatic hydrogen atom transfer—a process that is notably challenging with conventional chemocatalysis. Furthermore, this work advances enzymatic strategies for integrating fluorinated chemical feedstocks and opens avenues for asymmetric synthesis of fluorinated compounds.

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

Using Incremental Changes to Convert Lignocellulosic Feedstocks to Cellulosic Ethanol

One billion tons of biomass feedstocks have been identified for the production of renewable biofuels and biochemicals. This is one of the key carbon feedstocks to supply energy to the transportation sector for light duty, heavy duty and aviation fuels. Utilization of lignocellulosic feedstocks supports an improved energy security by reducing demand of petroleum imports, agricultural development, job creation, and reducing greenhouse gas emissions. To date, however, operational challenges have stymied the industrial production of large volumes of lignocellulosic-based fuels and chemicals. As a result, significant research investment has been led by the United States Department of Energy to understand and improve operational reliability at pioneer cellulosic biorefineries. In this perspective article lignocellulosic conversion technologies are described that have been adopted from the starch ethanol process. The developed process culminated in successful demonstration of 1,000-h integrated runs using several feedstocks, including switchgrass, energy sorghum, and two types of corn kernel fiber. This report highlights process development that solved several of the issues that plagued—and continue to plague—many in the cellulosic sugars space such as biomass feeding into equipment, high ash content, diversified co-product value, and others.

09 BIOMASS FUELS↗
NASA NTRS2013

Affordable Development and Qualification Strategy for Nuclear Thermal Propulsion

Nuclear Thermal Propulsion (NTP) is a concept which uses a nuclear reactor to heat a propellant to high temperatures without combustion and can achieve significantly greater specific impulse than chemical engines. NTP has been considered many times for human and cargo missions beyond low earth orbit. A lot of development and technical maturation of NTP components took place during the Rover/NERVA program of the 60's and early 70's. Other NTP programs and studies followed attempting to further mature the NTP concept and identify a champion customer willing to devote the funds and support the development schedule to a demonstration mission. Budgetary constraints require the use of an affordable development and qualification strategy that takes into account all the previous work performed on NTP to construct an existing database, and include lessons learned and past guidelines followed. Current guidelines and standards NASA uses for human rating chemical rocket engines is referenced. The long lead items for NTP development involve the fuel elements of the reactor and ground testing the engine system, subsystem, and components. Other considerations which greatly impact the development plans includes the National Space Policy, National Environmental Policy Act, Presidential Directive/National Security Council Memorandum #25 (Scientific or Technological Experiments with Possible Large-Scale Adverse Environmental Effects and Launch of Nuclear Systems into Space), and Safeguards and Security. Ground testing will utilize non-nuclear test capabilities to help down select components and subsystems before testing in a nuclear environment to save time and cost. Existing test facilities with minor modifications will be considered to the maximum extent practical. New facilities will be designed to meet minimum requirements. Engine and test facility requirements are based on the driving mission requirements with added factors of safety for better assurance and reliability. Emphasis will be placed on small engines, since the smaller the NTP engine, the easier it is to transport, assemble/disassemble, and filter the exhaust during tests. A new ground test concept using underground bore holes (modeled after the underground nuclear test program) to filter the NTP engine exhaust is being considered. The NTP engine system design, development, test, and evaluation plan includes many engine components and subsystems, which are very similar to those used in chemical engines, and can be developed in conjunction with them Other less mature NTP engine components and subsystems (e.g., reactor) will be thoroughly analyzed and tested to acceptable levels recommended by the referenced standards and guidelines. The affordable development strategy also considers a prototype flight test, as a final step in the development process. Preliminary development schedule estimates show that an aggressive development schedule (without much margin) will be required to be flight ready for a 2033 human mission to Mars.

Gerrish, Harold P., Jr.↗
NASA NTRS2013

Affordable Development and Qualification Strategy for Nuclear Thermal Propulsion

Nuclear Thermal Propulsion (NTP) is a concept which uses a nuclear reactor to heat a propellant to high temperatures without combustion and can achieve significantly greater specific impulse than chemical engines. NTP has been considered many times for human and cargo missions beyond low earth orbit. A lot of development and technical maturation of NTP components took place during the Rover/NERVA program of the 60's and early 70's. Other NTP programs and studies followed attempting to further mature the NTP concept and identify a champion customer willing to devote the funds and support the development schedule to a demonstration mission. Budgetary constraints require the use of an affordable development and qualification strategy that takes into account all the previous work performed on NTP to construct an existing database, and include lessons learned and past guidelines followed. Current guidelines and standards NASA uses for human rating chemical rocket engines is referenced. The long lead items for NTP development involve the fuel elements of the reactor and ground testing the engine system, subsystem, and components. Other considerations which greatly impact the development plans includes the National Space Policy, National Environmental Policy Act, Presidential Directive/National Security Council Memorandum #25 (Scientific or Technological Experiments with Possible Large-Scale Adverse Environmental Effects and Launch of Nuclear Systems into Space), and Safeguards and Security. Ground testing will utilize non-nuclear test capabilities to help down select components and subsystems before testing in a nuclear environment to save time and cost. Existing test facilities with minor modifications will be considered to the maximum extent practical. New facilities will be designed to meet minimum requirements. Engine and test facility requirements are based on the driving mission requirements with added factors of safety for better assurance and reliability. Emphasis will be placed on small engines, since the smaller the NTP engine, the easier it is to transport, assemble/disassemble, and filter the exhaust during tests. A new ground test concept using underground bore holes (modeled after the underground nuclear test program) to filter the NTP engine exhaust is being considered. The NTP engine system design, development, test, and evaluation plan includes many engine components and subsystems, which are very similar to those used in chemical engines, and can be developed in conjunction with them Other less mature NTP engine components and subsystems (e.g., reactor) will be thoroughly analyzed and tested to acceptable levels recommended by the referenced standards and guidelines. The affordable development strategy also considers a prototype flight test, as a final step in the development process. Preliminary development schedule estimates show that an aggressive development schedule (without much margin) will be required to be flight ready for a 2033 human mission to Mars.

Gerrish, Harold P., Jr.↗
DOE OSTI2020

Leveraging Existing Bioenergy Data: Workshop Summary Report

The U.S. Department of Energy’s (DOE’s) Office of Energy Efficiency and Renewable Energy (EERE) invests in a diverse portfolio of technologies to ensure domestic energy security, continued economic competitiveness, environmental sustainability, and the availability of cleaner fuels and power. The mission of EERE’s Bioenergy Technologies Office (BETO) is to develop transformative and revolutionary sustainable bioenergy technologies for a prosperous nation. BETO develops technologies that convert domestic biomass and waste resources into fuels, products, and power to enable affordable energy, economic growth, and innovation in renewable energy and chemicals production. This report summarizes the input received from attendees of the public workshop sponsored by BETO on July 21–23, 2020, as well as input received from a Request for Information (RFI) run in August and September 2019.

09 BIOMASS FUELS↗
DOE OSTI2025

Experimental and fuel-surrogates modeling study of the high-pressure pyrolysis of specialty cetane number fuels: implications for fall-off in ethylene unimolecular dissociation

Single pulse shock tube experiments were conducted at 50 atm nominal pressure and 4 ms nominal reaction time over a temperature range of 900–1800 K, to study the pyrolysis speciation of a multi-component jet fuel, F-24, and six cetane number (CN) specialty fuels - CN30, CN35, CN40, CN45, CN50, and CN55. Gas chromatography (GC) was used to qualitatively and quantitatively analyze the post shock gases. The relationship between the formation of key pyrolysis species and the chemically controlled combustion propensity as reflected by the cetane number of each fuel was examined. A surrogate-based mechanism from the CRECK Modelling Group and chemical-functional group based optimized surrogates (CFGO) were used to simulate the pyrolysis speciation results. The model was able to capture the chemistry of most species except two important pyrolysis intermediates – ethylene and acetylene. Chemical kinetic analyses were performed to identify the important reactions which affect the chemistry of these species; however, the rate parameters of critical reactions were found to be unsuitable for simulating the present high-pressure studies. Here, to address this unsuitability, a theory-based fall-off analysis for three reactions representing the decomposition of ethylene and subsequent formation of acetylene was performed, and these are included in an updated version of the CRECK mechanism. This update resolves discrepancies between the experimental results and simulations for ethylene and acetylene. Reaction flux analyses using the updated surrogate model were also performed to identify the important reaction pathways responsible for the formation of crucial species and to provide an analysis of the chemistry of complex multi-component fuel systems. The fundamental reactions responsible for driving pyrolysis chemistry were greatly influenced by the chemical functional groups present in these fuels. In addition to updating the rate parameters of specific reactions to improve modeling, this study also emphasizes the effectiveness of the fuel-surrogate approach, where surrogates representing the chemical functional group composition of the parent fuel serve as a valuable tool for predicting the combustion chemistry of novel fuels.

Chemical Kinetics↗
DOE OSTI2022

Hydro-mechanical behavior of heated bentonite buffer for geologic disposal of high-level radioactive waste: A bench-scale X-ray computed tomography investigation

The behavior of heated bentonite buffer is critical for the security and long-term performance of a geological repository for high-level radioactive waste (HLW). While laboratory column experiments have been conducted to investigate compacted bentonite and coupled THMC (thermal-hydro-mechanical and chemical) processes for a moderate temperature range of up to 100 °C, data for a higher temperature range are limited. Understanding bentonite behavior and coupled THMC processes under higher temperatures (e.g., up to 200 °C) could allow for a more economic repository design and would expand the data and knowledge base for more reliable modeling. In this study, a bench-scale experiment was conducted in a compacted bentonite column experiencing both heating up to 200 °C in the center and hydration from a sand-clay boundary surrounding the column. During the experiment run for 1.5 years, frequent X-ray computed tomography (CT) scanning of bentonite provided insights into the spatiotemporal evolution of (1) hydration/dehydration, (2) clay swelling/shrinkage, (3) displacement, and (4) mineral precipitation. After the experiment, a comprehensive post-dismantling characterization of bentonite samples was conducted. Results showed that the bentonite hydration was axi-symmetrical despite the initial heterogeneity due to packing, confirming the ability of bentonite to seal fast flow/transport paths. Further, compared to a non-heated control experiment, the heated column showed greater CT density variations along the radial distance, indicating that homogenization of bentonite might be more difficult if a temperature gradient is maintained in the repository. Precipitation of an anhydrite layer occurred in the inner hot zone, pointing to potential concerns about salt precipitation causing canister corrosion. Ultimately, the experiments provided a high-resolution window into the strongly dynamic and coupled behavior of bentonite exposed to heating, hydration and swelling, which will be valuable for improving modeling of coupled processes, especially for the early state of a HLW repository.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Engineering Innovations, Challenges, and Opportunities for Lignocellulosic Biorefineries: Leveraging Biobased Polymer Production

Alternative polymer feedstocks are highly desirable to address environmental, social, and security concerns associated with petrochemical-based materials. Lignocellulosic biomass (LCB) has emerged as one critical feedstock in this regard because it is an abundant and ubiquitous renewable resource. LCB can be deconstructed to generate valuable fuels, chemicals, and small molecules/oligomers that are amenable to modification and polymerization. However, the diversity of LCB complicates the evaluation of biorefinery concepts in areas including process scale-up, production outputs, plant economics, and life-cycle management. We discuss aspects of current LCB biorefinery research with a focus on the major process stages, including feedstock selection, fractionation/deconstruction, and characterization, along with product purification, functionalization, and polymerization to manufacture valuable macromolecular materials. We highlight opportunities to valorize underutilized and complex feedstocks, leverage advanced characterization techniques to predict and manage biorefinery outputs, and increase the fraction of biomass converted into valuable products.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2017

Spectral Characterization of Analog Samples in Anticipation of OSIRIS-REx's Arrival at Bennu

NASA's Origins, Spectral Interpretation, Resource Identification, and Security-Regolith Explorer (OSIRIS-REx) mission successfully launched on September 8th, 2016. During its rendezvous with near-Earth asteroid (101955) Bennu beginning in 2018, OSIRIS-REx will characterize the asteroid's physical, mineralogical, and chemical properties in an effort to globally map the properties of Bennu, a primitive carbonaceous asteroid, and choose a sampling location [e.g. 1]. In preparation for these observations, we spectrally characterized a suite of analog samples across visible, near- and thermal-infrared wavelengths and used these in initial tests of phase detection and abundance determination software algorithms. Here we present the thermal infrared laboratory measurements of the analog sample suite measured under asteroidlike conditions, which are relevant to the interpretation of spectroscopic observations by the OSIRIS-REx Thermal Emission Spectrometer (OTES) [2, 3]. This suite of laboratory measurements of asteroid analogs under asteroid-like conditions is the first of their kind.

Donaldson Hanna, K. L.↗
NASA NTRS2017

Spectral Characterization of Analog Samples in Anticipation of OSIRIS-REx's Arrival at Bennu

NASA's Origins, Spectral Interpretation, Resource Identification, and Security-Regolith Explorer (OSIRIS-REx) mission successfully launched on September 8th, 2016. During its rendezvous with near-Earth asteroid (101955) Bennu beginning in 2018, OSIRIS-REx will characterize the asteroid's physical, mineralogical, and chemical properties in an effort to globally map the properties of Bennu, a primitive carbonaceous asteroid, and choose a sampling location]. In preparation for these observations, analog samples were spectrally characterized across visible, near- and thermal-infrared wavelengths and were used in initial tests on mineral-phase-detection and abundance-determination software algorithms.

Donaldson Hanna, K. L.↗
DOE OSTI2025

Measurement of Close-in Ground Motion from an Underground Chemical Explosion

Understanding the geophysical response near an underground explosion is crucial for generating insights into the source and emplacement conditions that produce distinct observations in monitoring scenarios occurring at greater distances. Recently, Shot A of the Low Yield Nuclear Monitoring (LYNM) Physics Experiment 1 (PE1) series was conducted at the Nevada National Security Site to provide ground truth for subsurface explosion signal models. This experiment resulted in measuring near-source ground motion at distances ranging from 70 to 1000 m/kt with a 99% success rate, yielding high-fidelity knowledge of the near-field response that can serve as benchmarks for future numerical modeling and experiment planning. However, technical challenges exist in observing near-source phenomena while safeguarding sensitive data acquisition components from the detrimental effects of ground motion in the subsurface. This report outlines tools and techniques to address challenges associated with observing near-source accelerations and within the tunnel drift of the PE1 test bed. Additionally, we describe key systems designed with both modern advancements and legacy guidance to maximize the collection of high-quality ground motion data, which may be applied to constitutive and computational models, leading to new or improved understanding of the near- and far-field signals produced by underground explosions.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2023

Extraction, Separation, and Production of High Purity Rare Earth Elements and Critical Minerals from Coal-Based and Related Resources

The general objectives of this project are to develop concepts for rare earth metal and critical mineral production from coal-based and related (minerals associated with coal) resources and incorporate them into a Technical Research Plan with an associated overall flow sheet. The project team has extensive expertise in market evaluation, mineral separation, leaching, chemical separations, alternative metallothermic reaction technology, electrowinning, and electrorefining that was critical to the success of the proposed project. The project included critical industrial partners needed for project success. The project team has extensive expertise in market evaluation, mineral separation, leaching, chemical separations, alternative reduction technology, electrowinning, and electrorefining as well as appropriate pilot-scale facilities to enable this project. The project encompassed broader opportunities for developing domestic resources of REE/CM materials for a more resilient, diverse, and secure supply chain for REE/CM materials with built-in redundancies and appropriate resource stockpiles. The production of REE/CM materials will help to revitalize and rebuild world-class American manufacturing capacity and the related workforce through new jobs and infrastructure. Furthermore, due to the nature and location of the production sites, economic growth in diverse communities of color and economically distressed areas will be cultivated. Finally, this technology can be applied to reuse and remediate coal waste tailings for REE/CM production.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Technical Program Plan for INL Advanced Reactor Technologies Advanced Gas Reactor Fuel Development and Qualification Program

High-temperature gas cooled reactors (HTGRs) are graphite moderated nuclear reactors cooled with helium. Their high outlet temperatures and thermal energy conversion efficiency enable efficient and cost effective integration with non electricity generating applications. These applications include process heat and hydrogen production for petrochemical and other industrial processes that require operating temperatures between 300 and 900°C. HTGRs will supplement the use of premium fossil fuels such as oil and natural gas, improve overall energy security in the United States by reducing dependence on foreign fuels, and reduce carbon dioxide (CO2)/greenhouse gas emissions. The HTGR design uses helium as a coolant, graphite as a neutron moderator, and ceramic particle fuel. Helium is chemically inert and neutronically transparent. The graphite core slows down the neutrons, retains its strength at high temperatures, provides structural stability, and acts as a substantial heat sink during transient conditions. The ceramic particle fuel is extremely robust and retains the radioactive by products of the fission reaction within the coated particle under normal and off normal conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Technical Program Plan for INL Advanced Reactor Technologies Advanced Gas Reactor Fuel Development and Qualification Program

High-temperature gas cooled reactors (HTGRs) are graphite moderated nuclear reactors cooled with helium. Their high outlet temperatures and thermal energy conversion efficiency enable efficient and cost effective integration with non electricity generating applications. These applications include process heat and hydrogen production for petrochemical and other industrial processes that require operating temperatures between 300 and 900°C. HTGRs will supplement the use of premium fossil fuels such as oil and natural gas, improve overall energy security in the United States by reducing dependence on foreign fuels, and reduce carbon dioxide (CO2)/greenhouse gas emissions. The HTGR design uses helium as a coolant, graphite as a neutron moderator, and ceramic particle fuel. Helium is chemically inert and neutronically transparent. The graphite core slows down the neutrons, retains its strength at high temperatures, provides structural stability, and acts as a substantial heat sink during transient conditions. The ceramic particle fuel is extremely robust and retains the radioactive by products of the fission reaction within the coated particle under normal and off normal conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗