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DOE OSTI2026

A Full-Induction Magnetohydrodynamics Solver for Liquid Metal Fusion Blankets in Vertex-CFD

Multiphysics modeling of liquid metal fusion blankets, which produce tritium and convert energy of neutrons created via fusion reactions into heat, is crucial for predicting performance, ensuring structural integrity, and optimizing energy production. While traditional blanket modeling of liquid metal flows during normal steady operating conditions commonly employs the inductionless approximation of the magnetohydrodynamics (MHD) equations, transient scenarios, when the plasma-confining magnetic field varies on millisecond time scales, require a full-induction MHD approach that dynamically evolves the magnetic field via the time-dependent induction equation. This paper presents the formulation, implementation, and initial verification of a full-induction MHD solver integrated within the open-source Vertex-CFD framework, which aims to achieve tight multiphysics coupling, a flexible software design enabling easy extension and addition of physics models, and performance portability across computing platforms. The solver utilizes finite element spatial discretization, implicit Runge–Kutta time integration, and an inexact Newton method to solve the resulting discrete nonlinear system, leveraging Trilinos packages for efficient computation. Verification against selected benchmark problems demonstrates accuracy and robustness of the solver. Furthermore, when the solver is applied to an idealized blanket model in 2.5D and full 3D, results obtained with Vertex-CFD are in good agreement with recently published quasi-2D simulations. These findings establish a computational foundation for future simulations of transient MHD phenomena in liquid metal blankets with Vertex-CFD, and open avenues for future extensions and performance optimizations.

Endeve, Eirik [ORNL] (ORCID:0000000312519507)↗

DOE OSTI2025

Influence of functional additives, fillers, and pigments on thermal and catalytic pyrolysis of polyethylene for waste plastic upcycling

Pyrolysis offers a relatively green and economical method to convert waste plastics into valuable chemicals and fuels without the need for harmful solvents, toxic chemicals, or costly high-pressure reactors. Despite its popularity among chemical upcycling technologies, industrial adoption suffers from feedstock heterogeneity, low-quality products, and catalyst deactivation. Most plastics in our daily lives are formulated with functional additives, fillers, and colorants. These additives remaining in end-of-life waste streams increase feedstock heterogeneity, creating a challenging issue in recycling plastics. Still, the potential impacts of additives on the chemical upcycling of plastics have been poorly understood. In this study, polyethylene compounded with a range of widely used additives (antioxidants, stabilizers, pigments, fillers, slip agents, and flame retardants) was subjected to both thermal pyrolysis and catalytic pyrolysis in different catalyst-to-feedstock contact modes. It showed that many inorganic additives, such as talc, kaolin, CaCO 3 , TiO 2 , carbon black, and zinc stearate, facilitated polymer decomposition during pyrolysis, increasing light hydrocarbons while also promoting aromatic and carbon residue formation. Conversely, antioxidants and stabilizers inhibited depolymerization, favoring heavier hydrocarbons. During catalytic pyrolysis with HZSM-5 zeolite, additives strongly enhanced aromatic and catalytic coke formation, especially when there was direct contact between plastics and catalysts. Although certain additives seem beneficial in the short term by promoting polymer cracking and improving the selectivity of aromatics, the transport of the additives and their degradation products and increased carbon coking can contaminate products, deactivate or modify catalysts, and foul reactors. These findings address a critical knowledge gap in effectively converting waste plastics via a greener route.

42 ENGINEERING↗

NASA NTRS1985

WINDSAT Free Flyer Using the Advanced TIROS-N Satellite

The results of this study show the feasibility of carrying a wind measuring lidar on an ATN-derivative free flying spacecraft. The overall configuration fits within the Shuttle bay and uses the same techniques for STS Launch as the proposed SAATN spacecraft. The lidar can be made light enough that the total weight of the satellite is well within the capability of the onboard propulsion system for transfers to a Sun synchronous orbit at 833 km attitude. The principal techniques for weight minimization are the use of the Perkin Elmer proprietary HIP process for the telescope, new packaging concepts for the laser and for the optics-laser interface, and the application of current technology to the signal processing hardware. Power minimization is achieved for the lidar primarily by use of a low pulse repetition frequency, i.e., 2pps, and again by the use of current processor technology. The power capability of the spacecraft is enhanced by increasing the ATN array size 25 percent, through the addition of two more solar array panels of the present size, and by limiting the range of Sun angles over which the spacecraft is operated. The same basic concept for the lidar as proposed in the Shuttle Windsat study is recommended here, but there are some changes in details to improve weight and power. No major technology break-throughs are required for the lidar, but some technology experiments are recommended for the laser subsystem to verify isotopic gas lifetime and performance, modulator life and weight, and for space qualification. Spacecraft changes are all natural modifications or growth to accommodate the payload. Overall, the proposed system provides substantial margin for the uncertainties for the future and for potential payload change, and also demonstrates the reasonableness of the Windsat Free Flyer concept.

Herbert M Gurk↗

DOE OSTI2023

Oxidation Chemistry of Bicarbonate and Peroxybicarbonate: Implications for Carbonate Management in Energy Storage

Carbonate formation presents a major challenge to energy storage applications based on low-temperature CO 2 electrolysis and recyclable metal–air batteries. While direct electrochemical oxidation of (bi)carbonate represents a straightforward route for carbonate management, knowledge of the feasibility and mechanisms of direct oxidation is presently lacking. Herein, we report the isolation and characterization of the bis(triphenylphosphine)iminium salts of bicarbonate and peroxybicarbonate, thus enabling the examination of their oxidation chemistry. Infrared spectroelectrochemistry combined with time-resolved infrared spectroscopy reveals that the photoinduced oxidation of HCO 3 – by an Ir(III) photoreagent results in the generation of the short-lived bicarbonate radical in less than 50 ns. The highly acidic bicarbonate radical undergoes proton transfer with HCO 3 – to furnish the carbonate radical anion and H 2 CO 3 , leading to the eventual release of CO 2 and H 2 O, thus accounting for the appearance of H 2 O and CO 2 in both electrochemical and photochemical oxidation experiments. Here, the back reaction of the carbonate radical subsequently oxidizes the Ir(II) photoreagent, leading to carbonate. In the absence of this back reaction, dimerization of the carbonate radical provides entry into peroxybicarbonate, which we show undergoes facile oxidation to O 2 and CO 2 . Together, the results reported identify tangible pathways for the design of catalysts for the management of carbonate in energy storage applications.

25 ENERGY STORAGE↗

DOE OSTI2026

Modeling a generic TRISO-fueled heat pipe microreactor using SCALE: Depletion, transportation criticality, and shielding

This paper demonstrates the applicability of the SCALE code system to tristructural-isotropic (TRISO)-fueled heat pipe microreactors through depletion, transportation criticality, and shielding analyses of a generic reference design. The study conducted supports US Nuclear Regulatory Commission code readiness efforts for advanced non–light-water reactor technologies and is intended as a code capability demonstration rather than as an optimization of a specific microreactor design. The modeled reactor employs high-assay low-enriched uranium (HALEU) uranium oxycarbide (UCO) TRISO fuel and beryllium oxide (BeO) reflectors and operates at 7.5 MWth with a nominal lifetime of about 3 effective full power years. Representative cases for fresh and irradiated cores were selected to exercise SCALE methods relevant to reactor operation and post-irradiation transport. The discharged-core decay heat is approximately 6% of operating power immediately after shutdown. Transportation criticality calculations show that internal water ingress is the dominant reactivity effect, with fully flooded fresh core and irradiated core configurations remain above the subcriticality criterion, even with the available control mechanisms. Shielding calculations for a simplified transportation package indicate that normal-condition dose rates are governed mainly by shielding thickness and cooling time, whereas the breached hypothetical accident case is governed primarily by cooling time. Overall, the study shows that SCALE supports depletion, transportation criticality, and shielding evaluations efficiently for TRISO-fueled heat pipe microreactors within a single code system.

Criticality↗

DOE OSTI2026

High-Temperature SiC Cladding End Plug Irradiation Design and HFIR Readiness

This report documents the design of a High Flux Isotope Reactor (HFIR) irradiation experiment intended to evaluate irradiation effects on the hermeticity of silicon carbide (SiC) end plug specimens under a radial fast neutron flux gradient at representative light-water reactor (LWR) temperatures of approximately 300 °C. The overarching goal of this work is to statistically evaluate SiC end plug hermeticity and mechanical properties following irradiation using the high-throughput irradiation capability discussed here. Each specimen consists of a short section of SiC fiber–reinforced SiC (SiC/SiC) tube with a single monolithic SiC end plug joined to one end. The experiment allows up to 66 specimens to be irradiated in six different stacks within a dry, sealed irradiation capsule derived from the previously developed high-temperature SiC/SiC cladding bowing experiment. The neutronics basis, thermal analysis, and HFIR readiness of the experiment are discussed in this report for two possible design cases. The first design case is based on existing approval documentation and components that are on hand and approved for use, so the experiment insertion would require only specimen receipt, specimen pre-irradiation characterization, experiment assembly, and final fabrication package approval. The second design case provides improved thermal robustness and the preferred end plug geometry but requires fabrication of a modified holder and revisions to the HFIR approval documentation, in addition to the other activities required for the first design case, before insertion.

Hott, Daniel [Oak Ridge National Laboratory (ORNL)↗

DOE OSTI2026

Semi-Transparent Perovskite Solar Cells in a Stacked Tandem Module: Cooperative Research and Development Final Report, CRADA Number CRD-19-00810

This project seeks to develop device design, materials composition, and processing tools and parameters to fabricate semi-transparent perovskite solar cells and modules for application in stand-alone products or added to other solar cells in a mechanically stacked tandem configuration. This technology presents significant advanced manufacturing challenges and opportunities in getting to scale, including development of perovskite inks, scalable perovskite and heterojunction deposition and annealing processes, heterojunction composition, transparent electrode composition and deposition process, anti-reflection layer composition and deposition process, and cell to module integration processes. Modification 5: The proposed project seeks to develop device design, materials composition, and processing tools and parameters to fabricate semi-transparent perovskite solar cells and modules for application in stand-alone products or added to other solar cells in a mechanically-stacked tandem configuration. This technology presents significant advanced manufacturing challenges and opportunities in getting to scale, including development of perovskite inks, scalable perovskite and heterojunction deposition and annealing processes, heterojunction composition, transparent electrode composition and deposition process, passivation layers including in module scribes, anti-reflection layer composition and deposition process, and cell to module integration processes. Advanced metrology and characterization will be performed on perovskite films, cells and module. Furthermore, we will examine module or materials recycling for circular economy considerations. Modifcation 6: Gigahertz frequency microwave pump-probe spectroscopies are highly sensitive to thin film semiconductor photoconductivity of individual and stacks of layers that comprise perovskite solar cells. As such, these techniques will be used to qualify reproducibility and quality correlations during the manufacturing process. Modification 7: Mechanical adhesion of top contacts within perovskite modules significantly impacts the durability of the module when exposed to accelerated degradation testing. The adhesion between the perovskite/transport layer interface and the transport layer/top contact interface are both very sensitive small changes in processing. ALD processing conditions of the transport layer will be tuned to optimize the mechanical adhesion within the perovskite module stack.

14 SOLAR ENERGY↗

NASA NTRSDate not supplied

Experimental Studies of Open Rotor Installation Effects

Open rotor propulsion technologies offer an opportunity for reducing fuel burn. At the same time, great challenges arise from this radically different engine architecture in terms of aircraft system integration. The aeroacoustic effects of integration are one of those key challenges and, furthermore, can offer the possibility for total aircraft system noise reduction. The inter-relationship of the aerodynamic and aeroacoustic system integration effects is particularly important to enable future application. An extensive model scale test campaign was conducted to investigate a broad range of these open rotor installation effects for both a conventional and an unconventional airframe. The experimental campaign was conducted in the Boeing Low Speed Aeroacoustic Facility with specially designed modifications for efficient positioning of the open rotor rig relative to the airframe. The airframe was traversed remotely relative to the fixed open rotor rig providing for the investigation of a large number of installation positions. Eight positions around the main wing of the conventional airframe and eleven positions above the hybrid wing body airframe were documented. Other parameters investigated in the test campaign included forward flight simulation Mach number, angle of attack, rotor speed, and airframe control surface deployment. In addition, both airframes were modified for alternate configurations. The conventional airframe was configured with both a T and a U tail while the unconventional hybrid wing body airframe was configured with different vertical control surfaces. An extensive instrumentation package was deployed. The acoustics were documented with a fixed array of far field microphones, a traversing array of in-flow microphones, an out-of-flow traversing phased array, and unsteady pressure transducers mounted flush on the surface of the airframes. In addition, mean flow surveys were measured with an articulating arm traversing system. The flow field surveys were particularly valuable in documenting flow distortion effects for the various installation positions and those created by angle of attack. This presentation will report the key results obtained for open rotor installation effects and discuss future prospects with the perspective of these results.

Michael J Czech↗

DOE OSTI2026

Biodegradable Biocomposite Development for Large Scale Additive Manufacturing

Oak Ridge National Laboratory (ORNL) worked with Mitsubishi Chemical America, Inc. to develop a highly biodegradable ~100% biobased feedstock for large format additive manufacturing (AM). Together, they developed an AM feedstock based on the biobased polyester, polybutylene succinate (PBS), that is typically used in agriculture and packaging projects. The motivation for this work was to leverage the high degradability of this polymer in AM to create a new avenue for end-of-life disposal of the product. A composite feedstock was developed from PBS, polylactic acid (PLA), and wood flour (WF). While WF improves printability, reduces feedstock cost, and can improve stiffness, it also often results in a loss in tensile strength which can inhibit/limit applications of the material. To recover the loss in tensile strength suffered by including large quantities, up to 30 wt.% WF in the composite, a chain extender was used to compatibilize the different composite constituents with each other. The feedstock was used to 3D-print a demonstration mold for precast concrete catch basins and was tested by casting 750 lbs of concrete. The mold survived the demonstration. Aerobic degradation testing of the composite feedstock showed that it was highly degradable, 40% biodegradation after 90 days, compared to other incumbent biobased feedstocks.

100% biobased feedstock for large format additive ↗

NASA NTRSDate not supplied

Performance of a Regenerative Fuel Cell System for the Lunar Surface

Regenerative fuel cells (RFCs) are an attractive energy storage solution for lunar missions as a technology capable of providing a higher specific energy (i.e., W∙h/kg) than state-of-the-art packaged Li-ion battery systems. An RFC consists of the (1 & 2) electrochemical stacks (chemical to electrical energy conversion to supply electricity to an external load, i.e. the fuel cell reaction, and electrical to chemical energy conversion of supplied electrical power to dissociate water into hydrogen and oxygen gases, i.e. water electrolysis), (3) fluidic conditioning, (4) reactant storage, (5) avionics, (6) power management and distribution (PMAD), and (7) thermal management. NASA’s Glenn Research Center has designed, assembled, and tested a breadboard RFC sys-tem capable of operating autonomously for multiple simulated lunar day/night cycles in a laboratory environment. The system is comprised of a non-flow through proton exchange membrane (PEM) fuel cell stack and a liquid-anode feed PEM electrolyzer (EZ) stack designed to electrochemically compress the reactants at balanced pressures up to 12.4 MPa (1800 psia). The fluidic conditioning, avionics, PMAD, and thermal management sub-systems are largely comprised of commercial-off-the-shelf components for this system-level development effort. The hardware is controlled by a CubeSat space processor running an operational program based on core flight architecture that can control the RFC hardware autonomously through a state machine with fault monitoring. The testing results highlighted here were completed with the system in an open-loop configuration such that reactants generated through water electrolysis were vented while gas cylinders supplied fuel cell operation. The breadboard operated autonomously, but there were five unplanned transitions to a safe state that required a manual restart after reviewing the data, determining a root cause, and implementing a solution. Four of the transitions were caused by the thermal management subsystem and the fifth was caused by a water management control issue in the EZ sub-system. The RFC system operated for over 550 hours with the final cycle being slightly abbreviated due to reasons unrelated to system performance.

Kerrigan Cain↗

NASA NTRSDate not supplied

Performance of a Regenerative Fuel Cell System for the Lunar Surface

Kerrigan Cain↗

NASA NTRS2016

NASA Alternative Orion Small Cell Battery Design Support

The NASA Orion Crew Module Reference Design was produced to address large scale thermal runaway (TR) hazard with specific safety controls for the Orion Spacecraft. The design presented provides the description of a full scale battery design reference for implementation as a drop in replacement to meet all spacecraft energy requirements with compatible 120 Vdc electrical and mechanical interface using small cell technology (18650) packaging. The 32V SuperBrick incorporates unique support features and an electrical bus bar arrangement that allows cells negative can insertion into heat sink that is compressively coupled to the battery enclosure to promote good thermal management. The housing design also provides an internal flame suppression "filter tray" and positive venting path internal to the enclosure to allow hot effluent ejecta to escape in the event of single cell TR. Virtual cells (14P Banks) that are supported to provide cell spacing with interstitial materials to prevent side can failures that can produce cell to cell TR propagation. These features were successfully test in four separate TR run with the full scale DTA1 test article in February 2016. Successfully Completed Test Objectives - Four separate TR test runs with Full-Scale DTA1 housing with Two SuperBricks, Two SuperBrick Emulators All Tests resulted in "clean" gas with less than 6 C rise at Battery vent All Tests resulted in less than 2 C temperature rise on cold-plate outlet All Tests resulted in less than 6 psi pressure rise in the battery housing Test Run 1 -One neighbor cell TR, highest remaining neighbor 139 C. Ejecta shorted to bus caused prolonged additional heating, One shorted cell did experience TR after 12 minutes, remaining cells had adequate thermal margin Test Run 2 - No cell to cell propagation, highest neighbor cell 112 C; Test Run 3 - No cell to cell propagation, highest neighbor cell 96 C; Test Run 4 - No cell to cell propagation, highest neighbor cell 101 C; Primary TR testing and analysis were completed and reviewed for endorsement by NASA Engineering and Safety Center team members. All Key Test Objectives were met and the small cell design alternative was demonstrated and selected to be a feasible drop in replacement for the MPCV Orion CM Battery for EM2 mission.

Haynes, Chuck↗

DOE OSTI2025

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Triacetic acid lactone (TAL) has the potential to serve as a bioderived platform chemical for commercial products including sorbic acid and recyclable polydiketoenamine plastics. In this study, we leveraged BioSTEAM to design, simulate, and evaluate (via techno-economic analysis, TEA, and life cycle assessment, LCA) TAL production from sugarcane. We experimentally characterized TAL solubility, calibrated solubility models, and designed a process to separate TAL from fermentation broths by crystallization. The biorefinery could produce TAL at a minimum product selling price (MPSP) of $\$3.73$–5.86·kg –1 (5th–95th percentiles; baseline at $\$4.60$·kg –1 ) and a carbon intensity (CI) of 5.31 [2.60–8.71] kg CO 2 -eq·kg –1 , which could enable financially viable, low-CI production of sorbic acid and polydiketoenamines. To drive down costs and CI, we explored the theoretical fermentation space (titer, yield, productivity combinations), operation scheduling and capacity expansion strategies (e.g., integrated sorghum processing), and potential separation improvements (mitigating TAL loss through pH control). Advancements in key design and technological parameters could further reduce MPSP by 51% to $\$2.26$·kg –1 [$\$1.97$–2.80·kg –1 ] and CI by 43% to 3.05 [1.91–4.15] kg CO 2 -eq·kg –1 . This research highlights the ability of agile TEA-LCA to screen promising designs, navigate sustainability trade-offs, prioritize research needs, and chart quantitative roadmaps to advance bioproducts and biofuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2010

High-Precision Shape Control of In-Space Deployable Large Membrane/Thin-Shell Reflectors

This innovation has been developed to improve the resolutions of future spacebased active and passive microwave antennas for earth-science remote sensing missions by maintaining surface figure precisions of large membrane/thin-shell reflectors during orbiting. The intention is for these sensing instruments to be deployable at orbit altitudes one or two orders of magnitude higher than Low Earth Orbit (LEO), but still being able to acquire measurements at spatial resolution and sensitivity similar to those of LEO. Because active and passive microwave remote sensors are able to penetrate through clouds to acquire vertical profile measurements of geophysical parameters, it is desirable to elevate them to the higher orbits to obtain orbital geometries that offer large spatial coverage and more frequent observations. This capability is essential for monitoring and for detailed understanding of the life cycles of natural hazards, such as hurricanes, tropical storms, flash floods, and tsunamis. Major components of this high-precision antenna-surface-control system include a membrane/thin shell reflector, a metrology sensor, a controller, actuators, and corresponding power amplifier and signal conditioning electronics (see figure). Actuators are attached to the back of the reflector to produce contraction/ expansion forces to adjust the shape of the thin-material reflector. The wavefront-sensing metrology system continuously measures the surface figure of the reflector, converts the surface figure to digital data and feeds the data to the controller. The controller determines the control parameters and generates commands to the actuator system. The flexible, piezoelectric polymer actuators are thus activated, providing the control forces needed to correct any distortions that exist in the reflector surface. Piezoelectric polymer actuators are very thin and flexible. They can be implemented on the back of the membrane/thin-shell reflector without introducing significant amounts of mass or stiffness to the reflector. They can be rolled up or folded to accommodate the packaging needed for launch. An analytical model of the system, which includes the membrane reflector, actuator, and controller has been developed to investigate the functionality of this control system on a 35-meter-diameter membrane reflector. The performance of this system under external disturbances such as in space thermal loads and W-error due to inflation has been investigated. A subscale breadboard has been developed, and the functionality of this control concept has been demonstrated by this breadboard.

Houfei Fang↗

NASA NTRS2010

Evaluation of Anomaly Detection Capability for Ground-Based Pre-Launch Shuttle Operations

This chapter will provide a thorough end-to-end description of the process for evaluation of three different data-driven algorithms for anomaly detection to select the best candidate for deployment as part of a suite of IVHM (Integrated Vehicle Health Management) technologies. These algorithms were deemed to be sufficiently mature enough to be considered viable candidates for deployment in support of the maiden launch of Ares I-X, the successor to the Space Shuttle for NASA's Constellation program. Data-driven algorithms are just one of three different types being deployed [3],[5]. The other two types of algorithms being deployed include a "rule-based" expert system, and a "model-based" system. Within these two categories, the deployable candidates have already been selected based upon qualitative factors such as flight heritage. For the rile-based system, SHINE (Spacecraft High-speed Inference Engine) has been selected for deployment, which is a component of BEAM (Beacon-based Exception Analysis for Multimissions) [4], a patented technology developed at NASA's JPL (Jet Propulsion Laboratory) and serves to aid in the management and identification of operational modes. For the "model-based" system, a commercially available package developed by QSI (Qualtech Systems, Inc.), TEAMS (Testability Engineering and Maintenance System) [1] has been selected for deployment to aid in diagnosis. In the context of this particular deployment, distinctions among the use of the terms "data-driven," "rule-based," and "model-based," call found in [5]. Although there are three different categories of algorithms that have been selected for deployment, our main focus in this chapter will be on the evaluation of three candidates for data-driven anomaly detection. These algorithms will be evaluated upon their capability for robustly detecting incipient faults or failures in the ground-based phase of pre-launch space shuttle operations, rather than based oil heritage as performed in previous studies [5]. Robust detection will allow for the achievement of pre-specified minimum false alarm and/or missed detection rates in the selection of alert thresholds. All algorithms will also be optimized with respect to all of these same criteria. Our study relies upon the use of Shuttle data to act as was a proxy for and in preparation for application to Ares I-X data, which uses a very similar hardware platform for the subsystems that are being targeted (TVC - Thrust Vector Control subsystem for the SRB (Solid Rocket Booster)).

False Alarms↗

NASA NTRS1993

Prediction of prompt NO(x) in hydrocarbon air flames

The gas turbine industry is directing particular attention to very low NOx combustors, whether for aircraft or land based CCGT systems. These low NOx combustors frequently use liquid fuels or natural gas burning under very lean premixed conditions with air or under rich-lean conditions, although only the first case is studied here. In land based systems, diluted steam or nitrogen are sometimes injected into the combustion chambers to reduce flame temperature. The NOx emissions from such systems are the product of three chemical mechanisms which are interrelated: the hydrocarbon prompt NO, the thermal NO (extended Zeldovich mechanism), and the nitrous oxide route to NO. Formation of NO2 from NO also occurs, as well as emission of carbon monoxide and unburnt hydrocarbons. When the fuel-oxidant proportion decreases towards leaner conditions, flame temperatures are lowered, resulting in the total NO being reduced and the thermal-NO contribution greatly diminished to the benefit of the remaining two mechanisms of NO formation. While knowledge of the elementary reactions and their chemical kinetics concerning methane and simple hydrocarbons combustion has existed for a number of years, its use for computer modeling is limited to simple flow dynamics configurations. Nevertheless, understanding of such combusting flows under a wide range of experimental conditions allows for analogies or speculations with more complex actual systems. Such understanding can be achieved by means of one dimensional laminar premixed flame modeling, with a full chemical mechanism which incorporates the three routes of NO formation. Complementary to this understanding is the modeling of the actual combustion system using a full description of the fluid dynamics coupled with a reduced chemical scheme, which is then compared against the first model. The objective of this investigation is to evaluate the relative importance of the three mechanisms of NO formation in lean premixed methane-air combustion with increasing pressure using the one dimensional plug flow package PREMIX, and to test the validity of a three dimensional model with a global chemical mechanism against the one dimensional model in the atmospheric pressure case. Methane is chosen because it is the only mechanism which is reasonably well known and is a good guide to the behavior of other hydrocarbons. The mixture ratio chosen is richer than that in lean gas turbines, but the combustion of this mixture with the low preheat gives realistic gas turbine final flame temperatures. Conditions of NO2 formation are also analyzed in the one dimensional model and results extrapolated to the case of gas turbines.

Valerie Dupont↗

DOE OSTI2026

Modeling Radiolysis and Chemical Reactions during Dry Storage of Aluminum-clad Spent Nuclear Fuel

After aluminum-clad spent nuclear fuel (ASNF) is removed from the reactor, it is initially stored in spent fuel pools, which are specially designed water-filled basins that provide temporary cooling to reduce the temperature of the fuel assemblies and provide radiation shielding. ASNF continues to generate heat due to the radioactive decay of elements within the fuel, which persists for many years post-shutdown as the residual radioactive products decay into more stable elements. During the wet storage period, an oxyhydroxide layer composed of boehmite/bayerite forms on the surfaces of the aluminum cladding from exposure to water in the pools. Road-ready packaging for long-term disposition of the ASNF involves dry storage in helium backfilled DOE standard canisters (DSCs). When the ASNF is removed from water storage and dried, most of the water is removed, but some physisorbed and chemisorbed water remains in the oxyhydroxide layers. This residual water can produce hydrogen when exposed to radiation from the ASNF during dry storage. Predicting hydrogen accumulation over time in the DSCs is critical for long-term storage considerations. Previous modeling efforts have developed coupled computational fluid dynamics (CFD)-chemical models to simulate temperature, pressure, and gas phase concentrations within the DSCs. These models use the thermal field predicted by CFD as input to a radiolysis model for the gas phase and the surface oxyhydroxide layer chemistry. Given the long storage period of the DSCs and the impracticality of long-term experiments, a simulation-based approach is necessary to assess chemical evolution within the canisters. This study advances the development of a modeling framework designed to simulate the chemical evolution of spent fuel canisters. Both thermal and radiation-driven reactions are considered, with radiation kinetics quantified using G-values. Sensitivity analysis identifies key parameters influencing species composition. Reaction pathway diagrams offer insight into dominant species formation routes, enabling more effective comparisons between model predictions and experimental observations, particularly regarding the production of hydrogen. Results show that the model predicts significant hydrogen gas production with minimal oxygen generation, primarily due to hydrogen formation via boehmite pathways. These findings underscore the importance of accurately characterizing surface-bound species and radiolysis kinetics. A deeper understanding of these mechanisms is critical for evaluating the long-term safety of nuclear waste storage.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

DOE OSTI2026

Project Development of an Electrochemical Denitration and Caustic Generation System for HLW Pretreatment at Hanford - 26350

An engineering-scale electrochemical processing skid is proposed to perform the denitration of Hanford tank waste, which would help to mitigate a key process concern with the direct feed processing of the Hanford Tank Waste Treatment and Immobilization Plant (WTP). The reduction of nitrates and organic compounds in the waste feed will directly reduce hazardous NOx and ammonia gases generated during the vitrification process, which in turn will aid in addressing potential regulatory and safety challenges associated with processing large volumes of tank waste. This paper highlights the past legacy work, project layout, accomplishments from Phase 1 and research and development envisioned for Phase 2. An innovative electrochemical denitration and caustic generation (EDCGe) process was demonstrated for the pretreatment of tank waste at the Savannah River Site (SRS) in the early 2000s. The denitration electrolyzer, off-gas abatement system, and caustic generator electrolyzer are being developed with the intent that the denitration electrolyzer will convert nitrate and nitrite anions to nitrogen gas while also yielding other gaseous byproducts, which may include N2O, NH3, VOCs, and H2. The gaseous byproducts will be managed via a tandem off-gas catalyst-bed treatment system. The caustic generation electrolyzer will recycle NaOH from the feed to produce a clean caustic stream for use within the batching tanks at Hanford, aiding in the preparation of waste for WTP. The reduction in hazardous emissions and improved waste treatment processes provides a robust solution for nuclear waste management, contributing to environmental safety and regulatory compliance. The EDCGe technology is being adapted, modified, and updated for the preparation of the Direct Feed-High Level Waste (DF-HLW) flowsheet at Hanford. Phase 1 demonstrated a bench-scale proof-of-concept for reactions involving the denitration electrolyzer and gas phase abatement of ammonia. The electrochemical technology is drawing on the scientific outcomes that were reported in the legacy work. The results from Phase 1 demonstrated the viability of the EDCGe system in reducing the nitrogen species of simple non-radioactive waste simulants. Commercially available alloys used as electrode materials and membranes are being studied for the denitration and caustic generation electrolyzers. The continuation of this project holds promise for broader applications, such as energy-efficient ammonia production, and contributes significant advancements in nuclear waste management. Additional material discovery has been investigated into ceramic Na super ion conductive (NaSICON) materials and off-gas abatement catalyst discovery. NaSICON is of interest for selective transport of Na within the electrolyzers to make a clean caustic stream. Future integration and optimization efforts, informed by Phase 1 results and ongoing research, will continue to drive advancements in nuclear waste management technology. The technology developed for the EDCGe treatment of tank waste will also have broader potential to inform other fields, such as energy-efficient ammonia production, as well as ammonia abatement catalysis through the lessons learned in electrochemical nitrate reduction. The applications and benefits of this research extend beyond Hanford and the Savannah River Site, supported by a collaborative team of scientists and engineers from national labs, academia, and industry, ensuring a comprehensive approach to solving complex waste treatment challenges. The team is leveraging advanced electrochemical technologies, machine learning, novel catalysts tailored for gaseous nitrogen species, and cutting-edge reactor systems to enhance the process efficiency and effectiveness of the denitration process.

Rodene, Dylan [Savannah River National Laboratory ↗