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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 1,369 records · Page 76

Prediction of Performance Variation Caused by Manufacturing Tolerances and Defects in Gas Diffusion Electrodes of Phosphoric Acid (PA)–Doped Polybenzimidazole (PBI)-Based High-Temperature Proton Exchange Membrane Fuel Cells

The automated process of coating catalyst layers on gas diffusion electrodes (GDEs) for high-temperature proton exchange membrane fuel cells results inherently into a number of defects. These defects consist of agglomerates in which the platinum sites cannot be accessed by phosphoric acid and which are the consequence of an inconsistent coating, uncoated regions, scratches, knots, blemishes, folds, or attached fine particles—all ranging from μm to mm size. These electrochemically inactive spots cause a reduction of the effective catalyst area per unit volume (cm2/cm3) and determine a drop in fuel cell performance. A computational fluid dynamics (CFD) model is presented that predicts performance variation caused by manufacturing tolerances and defects of the GDE and which enables the creation of a six-sigma product specification for Advent phosphoric acid (PA)-doped polybenzimidazole (PBI)-based membrane electrode assemblies (MEAs). The model was used to predict the total volume of defects that would cause a 10% drop in performance. It was found that a 10% performance drop at the nominal operating regime would be caused by uniformly distributed defects totaling 39% of the catalyst layer volume (~0.5 defects/μm2). The study provides an upper bound for the estimation of the impact of the defect location on performance drop. It was found that the impact on the local current density is higher when the defect is located closer to the interface with the membrane. The local current density decays less than 2% in the presence of an isolated defect, regardless of its location along the active area of the catalyst layer.

Gurau, Vladimir (ORCID:0000000327429061)↗

Bio-Oxo Technology

Easel Biotechnologies, LLC’s Bio-Oxo process has demonstrated that isobutyraldehyde can be biologically produced from corn stover hydrolysate up to 56 g/L in a 14L fermentor. This was accomplished by metabolically engineering bacterial strains to not only produce isobutyraldehyde, but to do so by co-utilizing corn stover hydrolysate sugars, glucose and xylose. Also essential to the success of the Bio-Oxo process was that it utilized gas stripping as a means of product separation, allowing for the continuous removal of isobutyraldehyde. This aided in not only reducing energy costs associated with separation, but also alleviating product toxicity, resulting in higher production. Although we were not able to complete our economic analysis based on pilot scale fermentations, the improvements we have made from strain engineering to product separation, should result in the reduced cost of isobutyraldehyde. Still, as the project has ended prematurely, there is room for additional optimization. Improvements in productivity and sugar utilization would result in a further reduction in capital and recovery costs. As a biological-based process, the utilization of corn stover results in reduced greenhouse gas emissions as compared to petroleum-based chemical synthesis. In addition, as a true replacement chemical “drop in” system, no downstream production units need to be changed. Jobs can also be created as farm waste needs to be collected and transported to the new production facility.

09 BIOMASS FUELS↗

Using probability distribution function as a scaling approach to incorporate soil heterogeneity into biogeochemical models for greenhouse gas predictions (Final Technical Report)

The project investigated biogeochemical processes at terrestrial-aquatic interfaces (TAIs), focusing on soil microsite heterogeneity and its impact on greenhouse gas (GHG) fluxes. Using laboratory experiments, modeling, and data integration, researchers explored redox-driven microbial processes under fluctuating hydrological conditions. Key advancements included modifying the DAMM-GHG model to incorporateelectron acceptor availability and enhancing the AquaMEND model for improved microbial metabolism representation. Results highlighted microsite redox variability as a key driver of GHG fluxes, informing Earth system models. The project fostered interdisciplinary collaborations, student training, and the development of novel modeling frameworks to improve Earth'senergy budget.

54 ENVIRONMENTAL SCIENCES↗

Microstructures and Microhardness Properties of CMSX-4{sup ®} Additively Fabricated Through Scanning Laser Epitaxy (SLE)

Epitaxial CMSX-4{sup ®} deposition is achieved on CMSX-4{sup ®} substrates through the scanning laser epitaxy (SLE) process. A thorough analysis is performed using various advanced material characterization techniques, namely high-resolution optical microscopy, scanning electron microscopy, energy-dispersive x-ray spectroscopy, x-ray diffraction, and Vickers microhardness measurements, to characterize and compare the quality of the SLE-fabricated CMSX-4{sup ®} deposits to the CMSX-4{sup ®} substrates. The results show that the CMSX-4{sup ®} deposits have smaller primary dendritic arm spacing, finer γ/γ′ size, weaker elemental segregation, and higher microhardness compared to the investment cast CMSX-4{sup ®} substrates. The results presented here demonstrate that CMSX-4{sup ®} is an attractive material for laser-based AM processing and, therefore, can be used in the fabrication of gas turbine hot-section components through AM processing.

36 MATERIALS SCIENCE↗

CHARACTERIZING THE HEAVY ELEMENTS IN GLOBULAR CLUSTER M22 AND AN EMPIRICAL s-PROCESS ABUNDANCE DISTRIBUTION DERIVED FROM THE TWO STELLAR GROUPS

We present an empirical s-process abundance distribution derived with explicit knowledge of the r-process component in the low-metallicity globular cluster M22. We have obtained high-resolution, high signal-to-noise spectra for six red giants in M22 using the Magellan Inamori Kyocera Echelle spectrograph on the Magellan-Clay Telescope at Las Campanas Observatory. In each star we derive abundances for 44 species of 40 elements, including 24 elements heavier than zinc (Z = 30) produced by neutron-capture reactions. Previous studies determined that three of these stars (the 'r+s group') have an enhancement of s-process material relative to the other three stars (the 'r-only group'). We confirm that the r+s group is moderately enriched in Pb relative to the r-only group. Both groups of stars were born with the same amount of r-process material, but s-process material was also present in the gas from which the r+s group formed. The s-process abundances are inconsistent with predictions for asymptotic giant branch (AGB) stars with M {<=} 3 M{sub Sun} and suggest an origin in more massive AGB stars capable of activating the {sup 22}Ne({alpha},n){sup 25}Mg reaction. We calculate the s-process 'residual' by subtracting the r-process pattern in the r-only group from the abundances in the r+s group. In contrast to previous r- and s-process decompositions, this approach makes no assumptions about the r- and s-process distributions in the solar system and provides a unique opportunity to explore s-process yields in a metal-poor environment.

79 ASTRONOMY AND ASTROPHYSICS↗

Cold gas mass measurements for the era of large optical spectroscopic surveys

ABSTRACT Gas plays an important role in many processes in galaxy formation and evolution, but quantifying the importance of gas has been hindered by the challenge to measure gas masses for large samples of galaxies. Data sets of direct atomic and molecular gas measurements are sufficient to establish simple scaling relations, but often not large enough to quantify three-parameter relations, or second-order dependences. As an alternative approach, we derive here indirect cold gas measurements from optical emission lines using photoionization models for galaxies in the Sloan Digital Sky Survey (SDSS) main galaxy sample and the PHANGS-MUSE survey. We calibrate the gas surface density measurements using xCOLD GASS and PHANGS-ALMA molecular gas measurements to ensure that our measurements are reliable. We demonstrate the importance of taking into account the scale dependence of the relation between optical depth (τ V ) and gas surface density (Σ gas ) and provide a general prescription to estimate Σ gas from τ V , metallicity, and the dust-to-metal ratio, at any arbitrary physical resolution. To demonstrate that the indirect cold gas masses are accurate enough to quantify the role of gas in galaxy evolution, we study the mass–metallicity relation of SDSS galaxies and show that as a third parameter gas mass is better than star formation rate at reducing the scatter of the relation, as predicted by models and simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Preliminary Analysis of Species Partitioning in the DWPF Melter - Sludge Batch 7b

The goal of the work described in this report is to provide additional off-gas carryover data from the Defense Waste Processing Facility (DWPF) melter to support the estimation of off-gas carryover rates from the Low Activity Waste (LAW) melter at the Hanford Site. Of particular interest is to determine the volatility of technetium-99 (Tc-99), which is a key isotope of concern for disposal and is a significant challenge to retain in glass in the Hanford waste treatment flowsheet. Since the DWPF melter is not equipped with routine offgas monitoring and/or sampling capabilities, the off-gas carryover data had to be extracted using component mass balance of the measured feed and pour stream (PS) glass compositions under time-averaged melter operating conditions over the duration of one canister-filling cycle, typically 20-25 hours. The method was first tested using the Sludge Batch 6 (SB6) PS sample data taken while Canister #3472 was being filled on 12/20/2010, approximately three months after the (argon) glass bubblers were installed. The method was tested again using the SB7a PS sample data taken while Canister #3619 was being filled on 8/5/2011 with the glass bubblers in operation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Vitrification of Sellafield Wastes with High Metallic Magnesium Alloy Content - 17495

The Sellafield nuclear complex, located in northwest England, is the largest such site in the United Kingdom. Sellafield Limited, which is the operating contractor for the Nuclear Decommissioning Authority, is evaluating thermal treatment technologies for a potential future facility to process a variety of Intermediate Level Waste sludges and slurries accumulated from historical site operations. In support of that effort, Atkins and the Vitreous State Laboratory (VSL) of The Catholic University of America conducted studies to evaluate the feasibility and implications of installing a joule-heated ceramic melter (JHCM) vitrification system to process a variety of sludge and slurry radioactive wastes at the Sellafield site. These sludges have the potential to contain a significant proportion of reactive metals in localized regions. The metallic fraction derives from unreacted Magnox spent fuel cladding. Thus, an important objective of this work was to investigate the performance of JHCM technology for the treatment of streams with localized regions of high reactive metal contents. The present work was focused on Site Ion Exchange Effluent Plant (SIXEP) Magnox sludges, investigated previously. Suitable waste simulants were developed for the SIXEP Magnox sludge waste stream, which included surrogates for all important radionuclides. High waste-loading, fully compliant glass formulations were designed using a combination of previous experience, extensive waste glass data bases, and small-scale crucible melts. Glasses from the test melts were characterized for properties that are important for processability and product quality. The most viable compositions were then selected for small-scale melter trials to collect information on processing rates and behavior, off-gas and secondary waste compositions, and overall system mass balance. These data were used to support the technology evaluation, which considered such factors as minimization of inactive additions, waste volume reduction, retention of radionuclides, minimization of secondary wastes, and overall process efficiency and effectiveness. The data were also used to develop sizing estimates for the full-scale facility and to estimate treatment durations under various treatment scenarios. A series of tests was then performed with partial replacement of the magnesium hydroxide with a metallic magnesium alloy that is close in composition to Magnox alloy. A commercially available magnesium alloy, Elecktron AZ31B, which has a nominal magnesium content of 95.7%, was used for this purpose. The testing was performed on a DuraMelter 10 (DM10) JHCM system to characterize the melter off-gas, glass product, and the effects of magnesium alloy particle size on feed processing. Data on processing rate and any processing issues, product glass composition, off-gas composition including hydrogen, and system operating parameters, including flows, temperatures, pressures, etc., were collected and analyzed to evaluate the effects of magnesium alloy on the vitrification process. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Effect of Power Plant Capacity on the CAPEX, OPEX, and LCOC of the CO2 Capture Process in Pre-Combustion Applications - Abstract

Aspen Plus v8.8 was used to simulate the pre-combustion CO2 capture process from a typical fuel gas stream at different power plant capacities ranging from 54.3 to 543 MW. Polyethylene glycol polydimethyl siloxane (PEGPDMS-1) was used as a physical solvent to capture CO2 in a countercurrent packed-bed absorber containing a structured packing (Mellapak 250Y). The process pressure was 51.4 bar and the solvent temperature was varied from 10 to 40 <sup>o</sup>C. The internal diameter of the absorber ranged from 1.9 to 7 m and the packing height from 13.9 to 45.5 m. The physico-chemical properties were obtained and modeled using the Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) Equation-of-State (EOS).<p> Four process constraints were imposed in Aspen Plus: (1) no flooding in the absorber, (2) the absorber height to diameter ratio (H/D) is greater than or equal 6, (3) at least 90 mol% of the CO2 capture from the fuel gas stream, and (4) the CO2 stream destined to sequestration sites should contain less than 600 ppm water concentration and less than or equal 0.5 mol% of fuel gases (H2, CO, CH4). The plant lifetime was assumed to be 30 years with an annual discount rate of 10% and an annual maintenance cost of 4% of the total capital expenses.</p><p> Seven power plants with different capacities were used and for each plant, the corresponding CO2 capture process was simulated. The absorber flooding was checked using the generalized pressure drop correlation (GPDC) by Leva [1] and the capital expenditure (CAPEX), operating expenditure (OPEX), and levelized costs per ton of CO2 captured (LCOC) were calculated [2-5]. Normalized by the largest power plant capacity (543 MW) used in the simulation, the results indicated that the capital and operating expenditures increased, however, the LCOC decreased with increasing plant capacity. This behavior was due to the increased annual tonnage of the CO2 captured with plant capacity as shown in Figure 1. The calculated CAPEX, OPEX, LCOC and the tonnage of CO2 captured for the 543 MW power plant were about 52 MM$, 22 MM$/year, 7.46 $/ton and 4 MM ton/year.</p>

Ashkanani, Husain↗

Levelized Cost of CO 2 Captured Using Five Physical Solvents in Pre-combustion Applications

Aspen Plus v8.8 was used to perform techno-economic analysis (TEA) of a CO 2 capture process from a typical fuel gas stream in a 543-MW pre-combustion power plant using five different physical solvents (Selexol, PEGPDMS-1, NMP, [aPy][Tf 2 N] and [hmim][Tf 2 N]). The process included a countercurrent packed-bed absorber operating under high-pressure over a wide range of temperatures and three pressure-swing flash drums for solvent regeneration. Furthermore, two packings, Mellapak 250Y and IMTP50, were used and the Levelized costs of CO 2 captured (LCOC) were calculated. The simulation results indicated that using Mellapak 250Y exhibited lower LCOC values than those when using IMTP50 for the five solvents under all conditions used as it offered better mass transfer. The CO 2 capture process carried out at low temperatures showed lower LCOC values than those at higher temperatures due to the increased CO 2 solubility in the solvents at lower temperatures, requiring smaller absorber diameter and lower solvent circulation rates, which offset the cooling requirements. Comparing the lowest LCOC values for the five solvents, the hydrophobic PEGPDMS-1 solvent was the most promising one compared to the other four solvents, due to its lowest capital and operating costs and noncorrosive, which enabled using less expensive materials for the process equipment.

42 ENGINEERING↗

Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next

Chemical kinetic modeling plays a foundational role in fields ranging from energy to environmental science, pharmaceuticals, and advanced materials. The past two decades have seen remarkable progress, particularly in modeling gas-phase reactions for thermochemical processes, leading to impactful industrial applications such as steam cracking and air quality management. However, new challenges are emerging. The successful development of systematic methodologies for the description of gas-phase kinetics opens the possibility to apply the same approach to the study of more challenging systems. Here, we review recent advances, including ab initio transition state theory-based master equation estimation of elementary rates, automated mechanism generation, machine-learning-assisted kinetics, and uncertainty quantification, and discuss the advances needed to apply the same methodological approach in areas such as heterogeneous catalysis, electrochemistry, liquid-phase and solid-state reactivity, and multiscale model integration. We advocate for the development of targeted tools, especially methods that go beyond empirical tuning toward first-principles-based predictions. We highlight the need for accessible software and AIaugmented workflows to democratize modeling for industry and academia alike. In this perspective, we call attention to not only what has worked but also what remains unsolved, advocating to avoid overemphasizing successes in scientific works at the expense of realism. The next decade should focus on predictive capability, physical accuracy, and community infrastructure (e.g., databases and services) to enable innovation across diverse fields. We argue that kinetic modeling, properly equipped, can accelerate discovery far beyond its traditional domains.

ab initio calculations↗

Improving the Work Function of Nitrogen-Doped Niobium Surfaces for SRF Cavities by Plasma Processing

Work function and surface chemistries of SiC-polished, electropolished, and nitrogen-doped niobium coupons were analyzed before and after plasma processing using a neon-oxygen gas mixture. These studies represent an initial enquiry into the feasibility of applying the plasma processing technique designed at ORNL for the Spallation Neutron Source (SNS) to the nitrogen-doped Nb cavities for the Coherent Light Source II (LCLS-II). Work function of all measured samples was increased after plasma processing, which indicates the strong potential of the plasma processing technique as a tool for increasing the accelerating gradient of nitrogen-doped cavities.

43 PARTICLE ACCELERATORS↗

Isolated Single Metal Atoms Supported on Silica for One Step Non-Oxidative Methane Upgrading to Hydrogen and Value-Added Hydrocarbons

Natural gas in the United States offers substantial economic opportunities due to its abundance but its transportation is challenging because its primary component, methane (CH 4 ), does not liquefy at ambient temperature and typical pressures. As a result, a significant portion of natural gas is either used for heat, flared in remote locations, or remains unutilized, presenting a lost economic opportunity and an environmental harm. Converting natural gas to larger hydrocarbons in an economically competitive manner would enable transportation of products and further boost the economy and reduce environmental footprint. Our research goal is to enable efficient non-oxidative methane conversion (NMC) via catalyst innovation to convert CH 4 in one-step to olefins and aromatics and hydrogen (H 2 ) co-product. The catalysts are made of supported single metal atoms and operated at medium-high temperatures. The single metal atoms achieve methane activation by heterogeneous surface dehydrogenation to generate a hydrocarbon pool and importantly limit coke formation. The integration of novel single atom catalysts in a short contact time microreactor enable unprecedented NMC performance that could lead to economically-feasible, distributed natural gas upgrading by advanced manufacturing and process intensification. Our innovated catalyst and reactor technology promise to tap into previously uneconomic natural gas resources, such as stranded, vented, and flared methane.

03 NATURAL GAS↗

Single Crystal Casting with Fluidized Carbon Bed Cooling: A Process Innovation for Quality Improvement and Cost Reduction

Superalloy gas turbine blades are being produced by investment casting and directional solidification. A new process, Fluidized Carbon Bed Cooling (FCBC), has been developed and is now being optimized in a prototype casting unit with 10 kg pouring weight. In early test runs with still rather simple mold cluster geometries, a reduction of the primary dendrite arm spacing of around 40 pct compared to the standard radiation cooling process (HRS) could be demonstrated. The improvement is mainly attributed to higher temperature gradients driving solidification, made possible by a functioning Dynamic Baffle. Compared to earlier development efforts in the literature, contamination of the melt and damage to the equipment are avoided using carbon-based fluidized bed materials and the so-called “counter pressure concept.”.

36 MATERIALS SCIENCE↗

Organic and nitrogen removal from landfill leachate in aerobic granular sludge sequencing batch reactors

Highlights: Black-Right-Pointing-Pointer Aerobic granular sludge SBR was used to treat real landfill leachate. Black-Right-Pointing-Pointer COD removal was analyzed kinetically using a modified model. Black-Right-Pointing-Pointer Characteristics of nitrogen removal at different ammonium inputs were explored. Black-Right-Pointing-Pointer DO variations were consistent with the GSBR performances at low ammonium inputs. - Abstract: Granule sequencing batch reactors (GSBR) were established for landfill leachate treatment, and the COD removal was analyzed kinetically using a modified model. Results showed that COD removal rate decreased as influent ammonium concentration increasing. Characteristics of nitrogen removal at different influent ammonium levels were also studied. When the ammonium concentration in the landfill leachate was 366 mg L{sup -1}, the dominant nitrogen removal process in the GSBR was simultaneous nitrification and denitrification (SND). Under the ammonium concentration of 788 mg L{sup -1}, nitrite accumulation occurred and the accumulated nitrite was reduced to nitrogen gas by the shortcut denitrification process. When the influent ammonium increased to a higher level of 1105 mg L{sup -1}, accumulation of nitrite and nitrate lasted in the whole cycle, and the removal efficiencies of total nitrogen and ammonium decreased to only 35.0% and 39.3%, respectively. Results also showed that DO was a useful process controlling parameter for the organics and nitrogen removal at low ammonium input.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Implications of Underground Nuclear Explosion Cavity Evolution for Radioxenon Isotopic Composition

Abstract Isotopic ratios of radioxenons sampled in the atmosphere or subsurface can be used to verify the occurrence of an underground nuclear explosion (UNE). Differences in the half-lives of radioactive xenon precursors and their decay-chain networks produce different time-dependent concentration profiles of xenon isotopes allowing isotopic ratios to be used for tracking UNE histories including estimating the time of detonation. In this study, we explore the potential effects of post-detonation cavity processes: precipitation of iodine precursors, gas seepage, and prompt venting on radioxenon isotopic evolution which influences UNE histories. Simplified analytical models and closed-form solutions yielding a potentially idealized radioactive decay/ingrowth chain in a closed and well-mixed system typically have limited application by not including the partitioning of the radionuclide inventory between a gas phase and rock melt created by the detonation and by ignoring gas transport from the cavity to host rock or ground surface. In reality, either subsurface transport or prompt release that is principally responsible for gas signatures violates the closed-system (or batch-mode) assumption. A closed-form solution representing time-dependent source-term activities is extended by considering the cavity partitioning process, slow seepage, and/or prompt release of gases from the cavity and applied to realistic systems.

Sun, Yunwei (ORCID:0000000194801439)↗

In Stream Monitoring of Off-Gasses from Plutonium Fluorination

Technology enabling real-time analysis is currently being developed to assess and advance processes used for the fluorination of actinides, which have increasing demands in the fields of forensics and molten salt reactor applications. Well established methods of fluorination use HF, a toxic and corrosive gas, which greatly limits materials of construction for probes and interfaces and is typically incompatible with detectors at greater than part per million quantities. The technology being developed utilizes Raman spectroscopy interrogation of the off-gas stream, providing detailed instantaneous process information in conditions up to 100% HF. The real-time data not only provides detailed reaction information, but also allows for a reduction, via process optimization, in the use of HF benefitting worker health and safety, minimizing waste, and prolonging equipment life.

PuF4, actinide fluorination, Raman↗

Natural Gas, U.S. Mix 2010, Extraction and Transport

This process includes all inputs for the raw material acquisition and raw material transportation for 1 kg of delivered natural gas proportionally from all extraction methods. To access the model referenced in the report, please visit https://www.netl.doe.gov/energy-analysis/details?id=85F7C05D-BA15-4CBE-A235-C078C00C4E54

03 NATURAL GAS↗