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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 307 records · Page 17

Acetate-based biological platforms: Bridging carbon dioxide utilization and high-value bioproduct production in oleaginous yeasts

Acetate is emerging as a promising two-carbon substrate in the circular bioeconomy, bridging the gap between single-carbon sources and high-value biofuels and bioproducts. This review examines the key pathways for acetate production, including the electrochemical reduction of carbon dioxide, syngas fermentation, and biological acetogenesis. It focuses on acetate metabolism in oleaginous yeasts, such as Yarrowia lipolytica and Rhodotorula toruloides, which efficiently convert acetate-derived acetyl-CoA units into diverse bioproducts such as lipids, fatty alcohols, triacetic acid lactone, and carotenoids. Recent advances in metabolic engineering, transcriptomics, and metabolic flux analysis have improved the understanding of acetate assimilation in these organisms, thereby increasing their potential for industrial applications. In addition, the feasibility of a biological gas-to-liquid platform that utilizes acetate as a central intermediate for scalable biomanufacturing is discussed. Integrating acetate utilization with sustainable production strategies offers a promising path to advance the bio-based economy. Using acetate as a versatile metabolic intermediate enables the conversion of industrial emissions into biofuels and bioproducts while avoiding the energetic and toxicity constraints associated with direct fermentation of gaseous substrates.

59 BASIC BIOLOGICAL SCIENCES↗

Effect of H 2 O on the ethylene glycol/alkali dismantling of bagasse for high-value conversion

Using a high-boiling alcohol system to dismantle main components of biomass is a feasible technology. Reducing dismantle operating costs and improving dismantle efficiency are essential for promoting the green, economical, and sustainable development of biomass refining. Therefore, based on the low cost and chemical properties of H 2 O at high temperature, the effects of different H 2 O dosages in NaOH-catalyzed ethylene glycol (HBAA) system on the dismantling efficiency of bagasse, surface lignin coverage, recovered-lignin activity and enzymatic hydrolysis efficiency were investigated. Compared with the HBAA dismantling system without H 2 O, the HBAA system with 60% w/v H 2 O can obviously increase the removal rates of lignin and hemicellulose, while recovering up to 99% of cellulose and significantly declining surface lignin coverage, thus enhancing the enzymatic hydrolysis efficiency. Additionally, the results of density functional theory calculations and 2D HSQC NMR analysis prove that the synergy between H 2 O and ethylene glycol can promote the esterification reaction occurrence at the α-C carbon cation in β-O-4 structure of lignin, thereby protecting the β-O-4 aromatic ether bond. Simultaneously, when the H 2 O dosage increase from 0% to 60%, the enzymatic yield increases from 84.51% to 93.74% with an enzyme load of 10 FPU/g. Based on experimental results, this study conducted a techno-economic analysis of bagasse dismantling for ethanol and co-production of lignin, achieving a minimum ethanol selling price of $\$$1.07 per kg. Here, in this study, a green and economical solution for dismantling the main components of bagasse is developed, which is important for the high-value conversion of bagasse.

Ethylene glycol↗

A systematic solution to quantify economic values of vehicle grid integration

We report Vehicle-Grid-Integration (VGI) supplies one of the potential benefit extensions for electric vehicles (EVs) to make use of their parking time, which enables the EVs to provide grid services while still meeting consumer driving needs. However, the costs, benefits and risks of VGI still remain unclear, which limits the development of the VGI to promote the interaction between the EV and grid. In this study, we propose an integrated framework to quantify and utilize the aggregate flexibility of the EVs to supply the grid services in electricity markets. The integrated solution includes five sub-modules that cover end-to-end functionalities from individual EV energy consumption estimation to final monetary values calculation of providing grid services. Both wholesale market and local level charging management are formulated in the optimization module. A predictive control algorithm is proposed to allocate power to individual vehicles in real time, considering uncertainties from dispatch signal and travel behavior. Simulation results from 10,000 EVs indicate that the proposed optimization methods can significantly reduce the system cost in both wholesale market and retail market. Local tariff optimization reduces the electricity cost by 24.4% compared to uncontrolled charging. Wholesale market optimization results show that $\$$691 and $\$$255 revenues can be captured by each EV in ERCOT and CAISO markets per year, although with a conservative assumption on battery throughput cost at 0.16$\$$/kWh.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Risk to ecological resources following remediation can be due mainly to increased resource value of successful restoration: A case study from the Department of Energy's Hanford Site

Several nations are faced with the need to remediate large contaminated sites following World War II, the Cold War, and abandoned industrial sites, and to return them to productive land uses. In the United States, the Department of Energy (DOE) has the largest cleanup challenge, and its Hanford Site in the state of Washington has the most extensive and most expensive cleanup task. Ideally, the risk to ecological resources on remediation sites is evaluated before, during, and after remediation, and the risk from, or damage to, ecological resources from contaminants should be lower following remediation. In this paper, we report the risk to ecological resources before, during, and as a consequence of remediation on contaminated units requiring cleanup, and then examine the causes for changes in risk by evaluating 56 cleanup evaluation units (EUs) at the Hanford Site. In this case, remediation includes a restoration phase. In general, the risk to ecological and eco-cultural resources is currently not discernible or low at most contaminated units, increases during remediation, and decreases thereafter. Remediation often causes physical disruption to ecosystems as it reduces the risk from exposure to contaminants. Most new remediation projects at the Hanford Site include ecological restoration. Ecological restoration results in the potential for the presence of higher quality resources after remediation than currently exists on these contaminated lands and facilities. Although counter-intuitive, our evaluation of the risk to ecological resources following remediation indicated that a significant percentage of units (61%) will be at increased risk in the post-remediation period. This increased risk is due to DOE's successful remediation and restoration that results in a higher percent of native vegetation and higher ecological value on the sites in the post-remediation period than before. These newly-created resources can then be at risk from post-remediation activities. Risks to these new higher quality resources include the potential for spread of invasive species and of noxious grasses used in previous cleanup actions, disruption of ecosystems (including those with state or federally listed species and unique ecosystems), compaction of soil, use of pesticides to control invasive species, and the eventual need for continued monitoring activities. Thus, by greatly improving the existing habitat and health of eco-receptors, and maintaining habitat corridors between high quality habitats, the ecological resources in the post-remediated units are at risk unless care is taken to protect them. Many of the negative effects of both remediation and future monitoring (or other future land uses) can be avoided by planning and management early in the remediation process. We suggest DOE and other agencies convene a panel of managers, remediation scientists, regulators, environmental and ecological scientists, Native Americans, economists, and the public to develop a generic list of performance metrics for the restoration phase of remediation, including evaluation of success, which could be applied across the DOE complex.

54 ENVIRONMENTAL SCIENCES↗

Development of an innovative process for post-combustion CO 2 capture to produce high-value NaHCO 3 nanomaterials

An innovative post-combustion process using aqueous sodium glycinates solutions (SGS) for CO 2 capture from a split flue gas stream emitted from the 600 MWe coal power plant, used in the Wolverine Clean Energy Venture (WCEV) project, was developed in Aspen Plus v.10. The flue gas flow rate used in the process was 12.43 kg/s (at 353.15 K and 101.33 kPa) and contained 0.0023 and 13.33 mol% of SO 2 and CO 2 , respectively. The overall process includes 5 main units designed to remove all SO 2 and capture more than 90 mol% of CO 2 in the flue gas stream, while producing high-value, salable sodium bicarbonate (NaHCO 3 ) nanomaterials to offset the total process costs. The hydraulics, mass transfer characteristics, and process performance obtained using Aspen Plus were discussed. Also, the capital expenditure (CAPEX), operating expenditure (OPEX), and Levelized cost of CO 2 capture (LCOC) were calculated to assess the feasibility of this process. Further, the hydraulics in the SO 2 washing and CO 2 capture units showed a pressure drop of 12 and 1 kPa, respectively, and the behaviors of the liquid holdup and normalized packing specific wetted surface area were similar in both units. The gas-side mass transfer coefficients were orders of magnitude greater than the liquid-side mass transfer coefficients. The process was able to capture 2.352 kg/s of CO 2 and produce 4.486 kg/s of valuable NaHCO 3 nanomaterials. Also, the calculated CAPEX, OPEX, and LCOC of the process for a 30-year plant lifetime were ($\$ $4,450,552), (233.00 $\$ $/h) and (35.49 $\$ $/ton of CO 2 captured), respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Clinical Value of Upfront Cranial Radiation Therapy in Osimertinib-Treated Epidermal Growth Factor Receptor–Mutant Non-Small Cell Lung Cancer With Brain Metastases

As a third-generation epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI), osimertinib has a powerful ability to penetrate the blood-brain barrier and a high potency for controlling brain metastases (BMs) from EGFR-mutant non-small cell lung cancer (NSCLC). The clinical value of cranial radiation therapy in osimertinib-treated NSCLC with BMs remains largely unknown.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Recovery of value-added compounds through fast pyrolysis of apple pomace hydrochar

The environmental challenges associated with food production can be addressed via the thermochemical upcycling of agro-industrial biomass. Two such methods, hydrothermal carbonization (HTC) and pyrolysis, can be coupled to first reduce the water content of wet biomass wastes by producing a hydrochar (HC) via HTC and then a bio-oil via pyrolysis of the HC. However, HTC of biomass results in the formation of secondary char (SC), an amorphous tar-like mixture resulting from organic compounds released into the aqueous phase that adsorb, recondense and polymerize on the parent biomass. This study investigated how HTC temperature impacts the formation of SC from apple pomace and the SC’s subsequent impact on fast pyrolysis products. HCs were produced at temperatures of 175°C, 200°C, and 250°C. Lower HTC temperatures favor the formation of biorefinery platform chemicals such as 5-hydroxymethylfurfural and levulinic acid, while higher temperatures result in increased lignin degradation products (i.e., phenolics). HCs were subjected to fast pyrolysis before and after SC extraction in two analytical pyrolysis instruments. Fast pyrolysis of HC produced compounds similar to those found in SC, but with variations in CO and CO 2 emissions. In conclusion, the combination of SC extraction and fast pyrolysis demonstrates promise for recovering value-added compounds from agro-industrial waste biomass while retaining a solid char for fuel and carbon management.

09 BIOMASS FUELS↗

Data-driven acceleration of thermal radiation transfer calculations with the dynamic mode decomposition and a sequential singular value decomposition

In this work, we present a method for accelerating discrete ordinates radiative transfer calculations for radiative transfer. Our method works with nonlinear positivity fixes, in contrast to most acceleration schemes. The method is based on the dynamic mode decomposition (DMD) and using a sequence of rank-one updates to compute the singular value decomposition needed for DMD. Using a sequential method allows us to automatically determine the number of solution vectors to include in the DMD acceleration. We present results for slab geometry discrete ordinates calculations with the standard temperature linearization. Compared with positive source iteration, our results demonstrate that our acceleration method reduces the number of transport sweeps required to solve the problem by a factor of about 3 on a standard diffusive Marshak wave problem, a factor of several thousand on a cooling problem where the effective scattering ratio approaches unity, and a factor of 20 improvement in a realistic, multimaterial radiating shock problem.

97 MATHEMATICS AND COMPUTING↗

The value of fusion energy to a decarbonized United States electric grid

Fusion could be a part of future decarbonized electricity systems, but it will need to compete with other technologies. In particular, pulsed tokamak plants have a unique operational mode, and evaluating which characteristics make them economically competitive can help select between design pathways. Using a capacity expansion and operations model, here we determined cost thresholds for pulsed tokamaks to reach a range of penetration levels in a future decarbonized US Eastern Interconnection. The required capital cost to reach a fusion capacity of 100 GW varied from $2,700 to $7,500 kW -1 , and the equilibrium penetration increases rapidly with decreasing cost. The value per unit power capacity depends on the variable operational cost and on the cost of its competition, particularly fission, much more than on the pulse cycle parameters. These findings can therefore provide initial cost targets for fusion more generally in the United States.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Treasuring trash: Pt/SrTiO 3 catalysts process plastic waste into high-value materials

Single-use plastics are ubiquitous throughout modern society because they have properties that make them desirable in a wide variety of applications, including low cost of production, high thermal and chemical stability, and tunable mechanical properties. Several of the recycling methods currently used to process single-use plastic waste, such as mechanical recycling and pyrolysis, do not selectively process plastic materials into uniform products, as would be advantageous for repurposing these materials in pursuit of a circular economy. Catalytic hydrogenolysis, whereby C–C bonds in polymers are broken over a supported catalyst in the presence of H 2 , is a promising approach to converting plastics into value-added products that can be sold commercially without further purification. Here, in this account, we present some recent advances in polyolefin hydrogenolysis, with a focus on Pt nanoparticles on SrTiO 3 nanocuboid supports (Pt/STO). Current developments in this field, general challenges, and future directions are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microbial assimilation of lignin-derived aromatic compounds and conversion to value-added products

Lignin is an abundant and sustainable source of aromatic compounds that can be converted to value-added products. However, lignin is underutilized, since depolymerization produces a complex mixture of aromatic compounds that is difficult to convert to a single product. Microbial conversion of mixed aromatic substrates provides a potential solution to this conversion challenge. Recent advances have expanded the range of lignin-derived aromatic substrates that can be assimilated and demonstrated efficient conversion via central metabolism to new potential products. Here, the development of additional non-model microbial hosts and genetic tools for these hosts have accelerated engineering efforts. However, yields with real depolymerized lignin are still low, and additional work will be required to achieve viable conversion processes.

59 BASIC BIOLOGICAL SCIENCES↗

Characterizing value-added pellets obtained from blends of miscanthus, corn stover, and switchgrass

The current pellet industry primarily relies on woody biomass. Inclusion of a diverse feedstock, such as herbaceous biomass, is necessary to meet the rising demand for pellets in heat and power generation, and for biofuel production. This study was motivated by the need to densify biomass, improving its naturally low energy density, to reach the required pellet standards for biofuel conversion. Here, we developed value-added miscanthus pellets blended with different ratios of corn stover and switchgrass and analyzed their chemical, physical, and mechanical properties. Pure miscanthus pellet durability index (PDI) was less than 85 %, well below the ISO 17225-6 standard for herbaceous pellets. While increasing switchgrass and corn stover ratios increases durability beyond 94 %, it also increases ash content from 1.6 % to 4.6 %, a quality unfavorable for biofuel conversion. The moisture content of the blended pellets varied from 7.12 % to 12.45 %, and positively correlated with the durability of the pellets. Pure miscanthus pellets had the highest bulk density, 633 kg/m 3 , while pellets containing 75 % miscanthus and 25 % corn stover had the lowest density, 564 kg/m 3 . The findings of this study also identified a decrease in the pellet bulk density with the increase in ash content and pellet diameter.

09 BIOMASS FUELS↗

Technoeconomic Analysis of High-Value, Crystalline Silicon Photovoltaic Module Recycling Processes

Recycling is an important circular economy strategy, and for photovoltaics (PV), the one that has received the greatest research attention. Recycling of PV modules is required in Europe; everywhere else it competes in the market of end-of-life options, where cost is a primary decision factor. The vast majority of PV modules sold globally are crystalline-silicon (c-Si); most of the rest of the market are cadmium telluride thin film modules whose primary manufacturer runs its own commercial-scale recycling program. While many different c-Si recycling approaches and technologies have been proposed, they generally lack accompanying cost estimates or enough process information to model costs. Herein we develop detailed estimates of seven categories of capital and operating costs along with estimates of revenue from recovered materials for each step in two proposed recycling processes for c-Si PV modules. Using these results, we develop a hypothetical third recycling process merging process steps from the original two, estimate surcharges required to achieve minimum sustainable prices for each recycling process, as well as consider how economies of scale could reduce costs. Increasing the purity of and identifying higher-value markets for recovered materials are approaches to reducing costs and increasing recycling rates in voluntary markets.

crystalline silicon↗

Denoising atomic resolution 4D scanning transmission electron microscopy data with tensor singular value decomposition

Tensor singular value decomposition (SVD) is a method to find a low-dimensional representation of data with meaningful structure in three or more dimensions. Here, tensor SVD has been applied to denoise atomic-resolution 4D scanning transmission electron microscopy (4D STEM) data. On data simulated from a SrTiO 3 [100] perfect crystal and a Si [110] edge dislocation, tensor SVD achieved an average peak signal-to-noise ratio (PSNR) of ~40 dB, which matches or exceeds the performance of other denoising methods, with processing times at least 100 times shorter. On experimental data from SrTiO 3 [100] and LiZnSb [11 2 ¯ 0]/GaSb [110] samples, tensor SVD denoises multiple GB 4D STEM data sets in ten minutes on a typical personal computer. Denoising with tensor SVD improves both convergent beam electron diffraction patterns and virtual-aperture annular dark field images.

36 MATERIALS SCIENCE↗

Value-creating upcycling of retired electric vehicle battery cathodes

The electrification revolution in the automobile and other industries demands annual production capacity of batteries of at least 10 2 GWh, which presents a twofold challenge: supply of key materials such as cobalt and nickel and recycling when batteries are retired from use. Pyrometallurgical and hydrometallurgical recycling are currently used in industry but suffer from complexity, high costs, and secondary pollution. Here we report a molten-salt-based method for direct recycling (MSDR) that is environmentally benign and creates value on the basis of a techno-economic analysis using real-world data and price information. We also experimentally demonstrate the feasibility of MSDR by upcycling a low-nickel polycrystalline LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC) cathode material into Ni-rich (Ni > 65%) single-crystal NMCs with increased energy density (>10% increase) and outstanding electrochemical performance (>94% capacity retention after 500 cycles). This work may open opportunities for closed-loop recycling of electric vehicle batteries and manufacturing of next-generation NMC cathode materials.

25 ENERGY STORAGE↗

Comparative Techno-economic Analysis and Life Cycle Assessment of Producing High-Value Chemicals and Fuels from Waste Plastic via Conventional Pyrolysis and Thermal Oxo-degradation

The rapid rise in global plastic production in recent decades has resulted in the massive generation of plastic waste. Over 75% of the plastic waste generated in the United States was sent to landfills, with a meager 8.7% recycled. Plastics are valuable feedstocks for platform chemicals and fuels. Chemical upcycling of waste high-density polyethylene (HDPE) is gaining more attention as a potentially feasible and environmentally friendly plastic waste management technology. Conventional pyrolysis (CPY) and thermal oxo-degradation (TOD) are two chemical upcycling technologies actively researched for decomposing waste HDPE into valuable chemicals and fuels. However, there are few studies on the techno-economic analysis (TEA) and life cycle assessment (LCA) of these technologies for converting waste HDPE to valuable products. This study conducts a comparative TEA and LCA study of the thermochemical decomposition of waste HDPE to produce gaseous (ethylene and propylene) and liquid (naphtha, diesel, and wax) products by CPY and TOD. The study elucidates and compares the impact of hydrocracking longer chain hydrocarbons to produce more valuable products on the TEA and LCA. The TEA showed that the fixed capital investment could range from $\$32.5$ million for TOD without hydrocracking to $\$244$ million for CPY with hydrocracking scenarios. Annual revenues range from $\$28.1$ million to $\$71.5$ million in favor of scenarios with hydrocracking. However, the net present value ranges from $\$1.4$ million to $\$265.8$ million in favor of scenarios without hydrocracking. Sensitivity analysis showed that fixed capital cost, facility capacity, and product prices have the biggest impact on the process economics of the facilities, while utilities and waste transportation to refineries have the biggest impact on environmental impacts. Here, the LCA showed that primary products from scenarios without hydrocracking can be more environmentally friendly than virgin products from petroleum processes. However, TOD and CPY with hydrocracking primary products have more emissions than those of virgin products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Emergence of a Low-Energy Peak in the Smoothed Absolute Value Circular Dichroism Spectra of Small Helical Gold Nanorods

We calculate, using time-dependent density functional theory, absorption and circular dichroism (CD) spectra for a series of small helical gold nanorod structures with a width of 0.6 nm and length increasing from 0.7 nm for Au 24 to 1.9 nm for Au 56 . For a low-energy window, ranging from 1.7 to 4.1 eV, broadening the lines in the absorption spectra results in a low energy peak which previous studies have identified as the (localized) plasmon resonance. As expected, the absorption peak position of the plasmon resonance systematically redshifts as the length of the nanorod increases. However, trends in the CD and straightforwardly broadened CD spectra are more difficult to discern. We introduce the idea of an absolute value CD spectrum and show that broadening the lines results in a low energy peak that has not previously been reported. The peak position systematically redshifts as the length of the nanorod increases but over a significantly smaller range than that for the absorption spectrum.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗