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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Photooxidative decomposition and defluorination of perfluorooctanoic acid (PFOA) using an innovative technology of UV–vis/Zn x Cu 1-x Fe 2 O 4 /oxalic acid

Per- and polyfluoroalkyl substances (PFAS) are a large group of perfluorinated organic molecules that have been in use since the 1940s for industrial, commercial, and consumer applications. PFAS are a growing concern because some of them have shown persistent, bioaccumulative and toxic effects. In this work, we demonstrate an innovative technology of UV–vis/Zn x Cu 1-x Fe 2 O 4 /oxalic acid for the degradation of perfluorooctanoic acid (PFOA) in water. The magnetically retrievable nanocrystalline heterogeneous ferrite catalysts, Zn x Cu 1-x Fe 2 O 4 were synthesized using a sol-gel auto-combustion process followed by calcination at 400 °C. The combination of Zn x Cu 1-x Fe 2 O 4 and oxalic acid generate reactive species under UV light irradiation. These reactive species are then shown to be capable of the photodegradation of PFOA. The degree of degradation is tracked by identifying transformation products using liquid chromatography coupled with quadrupole time-of-flight mass spectroscopy (LC-QTOF-MS).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Evaluating the potential of plastic waste upcycling using thermochemical technologies: A case study in Spain

A plastic waste upcycling value chain model has been applied to assess the potential of processing packaging waste in Spain using thermo-chemical technologies to produce low-density polyethylene (LDPE) and polypropylene (PP), which are highly valuable materials. The model projects an annual profit of 120.6 M$\$$/yr, with a capital investment of 789.3 M$\$$, generating 3285 jobs and contributing 65.5 M$\$$/yr to Spain’s economy. The achieved circularity rate of the waste processing infrastructure exceeds 40 %, incorporating recycled HDPE and PET. Despite these advantages, regulatory gaps and market hesitancy toward recycled materials due to quality concerns hinder adoption. Additionally, economies of scale remain underutilized in Spain due to lower plastic waste collection levels compared to countries such as the United States. This network, while less profitable, is environmentally superior, yielding upcycled products with a Global Warming Potential 20–35 % lower than their virgin, fossil-fuel counterparts, confirming this as a viable and sustainable alternative.

Chemical upcycling↗
DOE OSTI2025

From bench to biofactory: high-throughput technologies and automated workflows to accelerate biomanufacturing

Microbial production of target molecules has advanced significantly in recent years driven by innovations in enzyme engineering, DNA synthesis, and genomic editing. However, to access the massive potential of microbial production, a vast parametric space remains to be investigated to optimize these biobased processes for a robust bioeconomy. Here, we review the current state of the art, some key challenges and possible solutions. We see a critical role of automation, high-throughput technologies, self-driving and cloud labs, and data management to enable Artificial Intelligence/Machine Learning and mechanistic models to overcome the design space challenges and accelerate the development of novel bio-based solutions. Accurate models will expedite the development and scale-up of engineered microbes for a range of final products from many starting materials.

Petzold, Christopher J↗
DOE OSTI2024

Enable superior performance of ultra-high loading electrodes through the cost-efficient solvent-free electrode manufacturing technology

This research explores an innovative solvent-free method for fabricating ultra-high loading NMC811 and graphite electrodes (~6mAh∙cm -2 ), showcasing remarkable electrochemical performance enhancements compared to the electrodes prepared by the conventional slurry-casting method. Here, the optimized microstructure with dry-printed (DP) electrodes enhanced electrolyte penetration and minimized lithium-ion diffusion tortuosity resulting in improved rate performance at high current rates. Additionally, this innovative electrode manufacturing approach enables more uniform CEI and SEI formation and growth, which effectively doubles the cycle life of single-layer pouch cells with DP electrodes. Beyond the performance enhancements, this method also offers a notable 29.2 % overall cost advantages, potentially revolutionizing future battery manufacturing. The findings presented in this work underscore the potential of solvent-free manufacturing technology as a high-loading capable and cost-efficient path for advanced battery production.

25 ENERGY STORAGE↗
DOE OSTI2023

Cost and life cycle analysis for deep CO 2 emissions reduction of steelmaking: Blast furnace-basic oxygen furnace and electric arc furnace technologies

Iron and steel manufacturing is the largest contributor to CO 2 emissions among heavy industries worldwide. This is mostly due to the use of coal in blast furnace-basic oxygen furnace (BF-BOF) process for virgin (primary) steel production. The electricity generation mix used in the electric arc furnace (EAF) process to recycle scrap steel also contributes to the CO 2 emission associated with secondary steel production. To decarbonize iron and steel sector, we investigated decarbonization options for BF-BOF and EAF processes, including energy efficiency, carbon capture and storage, and the use of clean energy sources, in various BF-BOF and EAF process configurations. Additionally, for each decarbonization approach, we evaluated the CO 2 reduction potential via life cycle analysis (LCA) and estimated the associated cost through techno-economic analysis (TEA). A typical U.S. BF-BOF for virgin steel production has a cradle-to-gate (CTG) CO 2 emissions of 1,990 kg/MT steel with a levelized cost of steel (LCOS) of $\$439$/MT steel, while a typical U.S. EAF process for secondary steel production in the United States has a CTG CO 2 emissions of 270 kg/MT steel with a LCOS of $\$365$/MT steel. Combining renewable energy sources and carbon capture, BF-BOF CTG CO 2 emissions can be reduced to 16 kg/MT steel, and EAF configurations can achieve similar deep reductions to reach 25 kg/MT steel. The corresponding LCOS with these decarbonization levels is estimated to increase to $\$542$/MT steel and $\$348$/MT steel, respectively. The estimated CO 2 avoidance costs vary from -$\$90$/MT CO 2 to $\$646$/MT CO 2 , depending on the various decarbonization technologies and energy prices.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Insights from FEED studies for retrofitting existing fossil power plants with carbon capture technology

Recent United States Department of Energy (DOE) sponsored front-end engineering design (FEED) studies for retrofitting existing fossil-fueled power plants with state-of-the-art carbon capture technology contain previously overlooked real-world design considerations for near-term deployment of carbon capture. Insights from examining seven recently published FEED study reports are summarized in this paper. This includes a discussion of the design, performance, and cost implications associated with (1) location-specific considerations such as water availability, land availability, and accessibility; (2) host-plant-specific factors such as flue gas specifications, allowable degree of integration between the capture system and host plant, and operational mode; and (3) miscellaneous factors such as market conditions, permitting requirements, and business case incentives. In conclusion, this manuscript highlights (1) water availability as a key design and cost driver, with host plant steam extraction increasing capture system cooling water availability, (2) modularization and constructability impacts on the number of capture trains, (3) the impacts of host plant operational mode and capacity factor on the business case for installing capture, and (4) the merit of continued research, development, and demonstration efforts addressing steam extraction, host plant tie-in at the stack, solvent reclamation and air emissions control.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

A review on nearly isothermal compression technology

Compressors can be described as the heart of a vapor compression refrigeration system, circulating the working fluid in the system. Significant benefits can be gained from improving its efficiency since energy consumption is responsible for almost the entire system's power input. An effort has been made to achieve isothermal compression through liquid refrigerant injection or inter-stage cooling in refrigeration systems. In recent years, much effort has been invested into isothermal compression technology for air compressors or compressed air energy storage systems with the rise of renewable energy. Here, this work has explored the advancements made in this area and categorized them to discuss the benefits, limitations, and tradeoffs. Evidently, increasing heat transfer area is a significant aid in improving heat transfer, resulting in better isothermal compression. However, liquid pistons open more avenues for this to be pursued, and therefore, are limited to air compression applications. In addition, water injection proved to be the most effective among the methods. Finally, there is a need for more experimental research on refrigeration applications and the field is still in its infancy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

A Review of Cardiac Radioablation (CR) for Arrhythmias: Procedures, Technology, and Future Opportunities

Cardiac radioablation (CR), a new treatment for cardiac arrhythmias such as ventricular tachycardia and atrial fibrillation, has had promising clinical outcomes to date. There is consequent desire for rapid clinical adoption. However, CR presents unique challenges to radiation therapy, and it is paramount that clinical adoption be performed safely and effectively. Recent reviews comprehensively detail patient selection, clinical history, treatment outcomes, and treatment toxicities but only briefly mention the technical aspects of CR. To address this knowledge gap, this review collates currently available knowledge regarding CR technology choice and procedural details to help inform and guide clinics considering implementing their own CR program, to aid technique standardization, and to highlight areas that require further development or verification.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Electrically regenerated ion-exchange technology: Leveraging faradaic reactions and assessing the effect of co-ion sorption

Capacitive deionization (CDI) technologies have the potential to become cost-competitive alternatives to reverse osmosis for the treatment of brackish waters. In this study, we describe our findings on the effect of co-ion sorption and faradaic side reactions on our ion exchange resin functionalized desalination electrodes which passively capture salt and reject it upon charging. This system, which we previously reported on and refer to as electrically regenerated ion exchange (ERI), avoids the use of expensive ion exchange membranes in an effort to save costs. Surprisingly, we find that, compared to a reference CDI system, ERI electrodes capture salt most effectively at low applied voltages (0.5 mg/cm 3 at 0.8 V). Both CDI and ERI systems also seem to suffer from co-ion sorption effects which negatively impact salt adsorption. However, Faradaic side reactions at higher voltages (1 V and 1.2 V) which we track via pH measurements, serve as a detriment to CDI but seem to facilitate the functionality of ERI.

42 ENGINEERING↗
DOE OSTI2023

Estimated capital costs of fish exclusion technologies for hydropower facilities

Hydropower is a reliable source of renewable energy, and its future expansion is likely to be in the form of either smaller new stream development (NSD) projects or powering existing non-powered dams. Thresholds for entrainment risk to fish and the requirements for fish exclusion at hydropower facilities often differ depending on the species involved, the characteristics of the facility, and the goals of stakeholders, but little quantitative information is present within the literature regarding the specific costs of fish exclusion measures. Cost data associated with protection, mitigation, and enhancement (PM&E) measures related to positive barrier screening were identified using keyword searches of an existing environmental mitigation cost data set and manual extraction from regulatory licensing documents available in the Federal Energy Regulatory Commission (FERC) eLibrary. This approach yielded a total of 50 p.m.&E mitigation measures with estimated capital construction costs pertaining to positive barrier screens and represented <10% of the 171 total FERC project dockets available in the data set. These data were highly skewed toward conventional relicensing projects, as <7% were associated with NSD projects. Results indicate highly variable costs are associated with fish screening, with flow-normalized costs one to two orders of magnitude higher for screening with the highest exclusion capability (≤0.09 in. spacing) compared with coarser screening (1–2 in.). These data provide an initial baseline for estimating exclusion costs for hydropower development and may help developers consider options for more fish-friendly generation technologies, though gaps remain relating to a lack of data, particularly for NSD projects.

13 HYDRO ENERGY↗
DOE OSTI2025

Development of the technological process for the IGR reactor's highly-enriched irradiated uranium-graphite fuel immobilization

The immobilization of irradiated highly enriched uranium (HEU) fuel is a critical component of nuclear waste management and non-proliferation efforts. In Kazakhstan, at National Nuclear Center of the Republic of Kazakhstan special attention is given to managing legacy HEU fuel from research reactors. One such case involves the IGR research reactor, whose first core containing irradiated HEU uranium-graphite fuel was operated from 1961 to 1966 and removed following reactor modernization. This fuel now requires a reliable and secure immobilization strategy. Here, this paper presents the development of a technological process for immobilizing this fuel to reduce its enrichment to below 20 % in terms of 235U content. The proposed method involves down-blending irradiated HEU fuel with depleted uranium, followed by encapsulation in a Portland cement matrix. Full-scale experiments were conducted to assess the uniformity of uranium distribution within the matrix. The results confirm the effectiveness of this approach, ensuring reliable immobilization of fuel in accordance with international requirements, including IAEA standards and Kazakhstan's regulatory framework. These findings contribute to the broader effort of adapting immobilization strategies for the safe management of spent fuel from research reactors.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗
DOE OSTI2022

Enabling a novel approach to a controlled fabrication of 1D crystalline nanowires on suspended microstructures of arbitrary geometries using two direct-writing technologies

Recent progresses in additive manufacturing have inspired new technologies, such as direct laser writing technique, based on two-photon polymerization (2 PP), which complements and further enriches the nanofabrication tools portfolio. Here, we combine 2 PP and our mask-free scanning probe assisted ‘direct-write patterning’ (DWP) method to allow for: a) the fabrication of micro-bridge structures with sub-micrometer resolution, b) selective synthesis of crystalline ZnO nanowires at predefined locations, respectively. This synergistic approach enables cantilever probe patterning of catalysts directly on suspended micro-bridges for in-situ CVD growth of nanoscale material, in a templated manner. The study reported here represents the first proof-of-concept experiments demonstrating versatile and scalable methodology, which can be applied and straightforwardly extended to grow a variety of other nanomaterials, in a controlled and selective fashion, on freestanding micro/nanoscale structures, whose size and geometry can be conveniently varied via templating of sacrificial 2 PP polymeric scaffolds. Furthermore, the demonstration of the possibility to integrate this new approach with the conventional lithography techniques provides a step forward to the development of the novel class of hybrid polymer-silicon-1D or -2D materials, and systems. The quality of the produced ZnO nanowire assemblies was assessed using several physical characterization methods.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of different pelleting technologies and parameters on pretreatment and enzymatic saccharification of lignocellulosic biomass

Densification of lignocellulosic biomass is beneficial for its logistics, and in some situations, also for its application in biorefineries. In this study, industrial pellets and laboratory-made pellets produced at different die temperatures (90, 125 °C) from wheat straw, beech, and pine were pretreated (by dilute acid and alkali) and enzymatically hydrolyzed to study the effects of pelleting on pretreatment and sugar yield. The results showed that industrial pelleting positively affected sugar yield of the three biomasses for both acid and alkaline pretreatments, while laboratory pelleting affected sugar yield differently related to pretreatment types and biomass species. Pelleting disturbed biomass cell wall structure and affected the stability of hemicellulose and β-O-4' linkages in lignin. The extent of hemicellulose solubility during acid pretreatment and the amount of lignin β-O-4' ether linkages present in acid pretreated substrates could serve as indicators of the effect of pelleting on sugar yield. The structural modifications caused by pelleting and their effects on the enzymatic sugar yield correlate tightly to pelleting technology, pretreatment method, and biomass species. As a result, the discrepant effects between industrial and laboratory pelleting on sugar yield observed in this study should be considered when designing future studies.

09 BIOMASS FUELS↗
DOE OSTI2021

Performance characterization of nanofiltration, reverse osmosis, and ion exchange technologies for acetic acid separation

A major obstacle to widespread implementation of bio-based fuels and chemicals is the lack of efficient and costeffective separation methods. To purify acetic acid produced by biochemical conversion of biomass via anaerobic digestion, this work employs two commonly used separation technologies: (1) ion-exchange (IX) resin and (2) pressure-driven membranes. This study tested five commercially available strong- and weak-base anion-exchange resins and five commercially available nanofiltration (NF) and reverse osmosis (RO) membranes. The pH of the feed solution significantly affected adsorption capacity. At pH 6.3, a strong-base IX resin (IRN-78) performed best (95.1% acetate removal). With strong-base IX resins, the Langmuir isotherm model fit well, whereas for weak-base IX resins, the Freundlich isotherm provided a better fit. A pseudo-second-order kinetic model fit well for both IRN-78 and IRA-67. Regarding membrane separation, RO (BW30XFR membrane) achieved the highest rejection (98.6% acetate rejection), whereas an NF membrane (NF*) achieved the best combination of permeate flux (105 L/(h∙m 2 )) and rejection (83.1% acetate rejection). For membrane performance, the experimental data were fit using the solution diffusion model. Increased pH in the feed solution lowered permeate flux but increased acetic acid rejection. Finally, then the acetic acid concentration in the feed solution increased, both permeate flux and acetic acid rejection decreased for membrane NF*.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

LIGHT DUTY VEHICLE CHOICE MODELS EXAMINING ALTERNATIVE FUEL TECHNOLOGY PREFERENCES AMONG COMMERCIAL FLEET OWNERS

Agent-based transportation models are critical tool for evaluating energy use, emissions and mobility impacts of transportation. In this context, vehicle ownership models are critical for linking agent activities to their impacts on the transportation system. However, no agent-based freight transportation models to date has been developed that predicts the fuel technology that is preferred by establishments when purchasing a Light Duty Vehicle (LDV) for business purposes. This research addresses this gap by using recently collected survey data to estimate a discrete choice model that can be applied in the agent-based context.

commercial↗
DOE OSTI2021

Oxygen Electrocatalysis on Mixed-Metal Oxides/Oxyhydroxides: From Fundamentals to Membrane Electrolyzer Technology

Catalyzing the oxygen evolution reaction (OER) is important for key energy-storage technologies, particularly water electrolysis and photoelectrolysis for hydrogen fuel production. Under neutral-to-alkaline conditions, first-row transition-metal oxides/(oxy)hydroxides are the fastest-known OER catalysts and have been the subject of intense study for the past decade. Critical to their high performance is the intentional or accidental addition of Fe to Ni/Co oxides that convert to layered (oxy)hydroxide structures during the OER. Unraveling the role that Fe plays in the catalysis and the molecular identity of the true “active site” has proved challenging, however, due to the dynamics of the host structure and absorbed Fe sites as well as the diversity of local structures in these disordered active phases. In this Account, we highlight our work to understand the role of Fe in Ni/Co (oxy)hydroxide OER catalysts. We first discuss how we characterize the intrinsic activity of the first-row transition-metal (oxy)hydroxide catalysts as thin films by accounting for the contributions of the catalyst-layer thickness (mass loading) and electrical conductivity as well as the underlying substrate’s chemical interactions with the catalyst and the presence of Fe species in the electrolyte. We show how Fe-doped Ni/Co (oxy)hydroxides restructure during catalysis, absorb/desorb Fe, and in some cases degrade or regenerate their activity during electrochemical testing. We highlight the relevant techniques and procedures that allowed us to better understand the role of Fe in activating other first-row transition metals for OER. We find several modes of Fe incorporation in Ni/Co (oxy)hydroxides and show how those modes correlate with activity and durability. We also discuss how this understanding informs the incorporation of earth-abundant transition-metal OER catalysts in anion-exchange-membrane water electrolyzers (AEMWE) that provide a locally basic anode environment but run on pure water and have advantages over the more-developed proton-exchange-membrane water electrolyzers (PEMWE) that use platinum-group-metal (PGM) catalysts. We outline the key issues of introducing Fe-doped Ni/Co (oxy)hydroxide catalysts at the anode of the AEMWE, such as the oxidative processes triggered by Fe species traveling through the polymer membrane, pH-gradient effects on the catalyst stability, and possibly limited catalyst utilization in the compressed stack configuration. We also suggest possible mitigation strategies for these issues. Lastly, we summarize remaining challenges including the long-term stability of Fe-doped Ni/Co (oxy)hydroxides under OER conditions and the lack of accurate models of the dynamic active surface that hinder our understanding of, and thus ability to design, these catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Computational Chemistry-Based Evaluation of Metal Salts and Metal Oxides for Application in Mercury-Capture Technologies

Anthropogenic mercury emission to the atmosphere adversely affects the environment, wildlife, and human health. Accordingly, the design and implementation of improved mercury-capture technologies have received increased attention. We present a computational chemistry-based screening study to guide the development of mercury-capture materials. We use density functional theory (DFT) to probe the efficacy of metal salts and metal oxides (NaCl, NaBr, KCl, KBr, CaCl 2 , CaBr 2 , NaNO 3 , and MgO) toward mercury capture and their ability to be regenerated for continued use. We focus on three primary sources of mercury emission as elemental gaseous mercury (Hg(0)) or oxidized gaseous mercury species (Hg(II); HgCl 2 or HgBr 2 ): (i) Hg(0) emission from artisanal Au production; (ii) Hg(II)/Hg(0) emission from inlet/outlet streams for flue-gas desulfurization (FGD) operation; and (iii) Hg(0) and Hg(II) emission from cement production. Our results suggest that CaCl 2 and CaBr 2 are good candidates for capturing Hg(0) in artisanal Au production. For FGD operation, KBr, MgO, CaCl 2 , and CaBr 2 are good candidates for capturing HgCl 2 and HgBr 2 , while CaBr 2 is the only studied material that can capture Hg(0) from the outlet FGD stream. For cement production, CaBr 2 is the only material of those studied that can capture Hg(0), HgCl 2 , and HgBr 2 . Furthermore, our DFT results can accelerate the development of cheap and regenerable mercury-capture materials, as well as better prevent the release of mercury to the environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Understanding Cation Selectivity in Carbon Nanopores with Hybrid First-Principles/Continuum Simulations: Implications for Water Desalination and Separation Technologies

Understanding ion adsorption in porous carbons is crucial for a range of technologies, including water desalination and energy storage. In this work, we combined density functional theory with a continuum solvation model to investigate thermodynamics and kinetics of the adsorption process of alkali metal ions from aqueous solutions into carbon nanopores with different sizes and geometries. We found that cations with a larger ionic radius are more favorable to enter the nanopores because of a lower energy penalty of dehydration. In addition, the pore size and geometry were found to have a significant impact on the ion–pore interaction under confinement and cation selectivity. Our study highlights a complex interplay among nanopore geometry, ion size, and hydration on the cation adsorption selectivity, suggesting that tuning the porosity could represent a general strategy for improving ion separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗