Search NASA⌕ Search

SEARCH · Search NASA

Results for “reactivity control”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Experimental Study of the Effect of Start of Injection and Blend Ratio on Single Fuel Reformate RCCI

Abstract A new concept of single fuel reactivity-controlled compression ignition (RCCI) has been proposed through the catalytic partial oxidation (CPOX) reformation of diesel fuel. The reformed fuel mixture is then used as the low reactivity fuel and diesel itself is used as the high reactivity fuel. In this paper, two reformate mixtures from the reformation of diesel were selected for further analysis. Each reformate fuel mixture contained a significant fraction of inert gases (89% and 81%). The effects of the difference in the molar concentrations of the reformate mixtures were studied by experimenting with diesel as the direct injected fuel in RCCI over a varying start of injection timings and different blend ratios (i.e., the fraction of low and high reactivity fuels). The reformate mixture with the lower inert gas concentration had earlier combustion phasing and shorter combustion duration at any given diesel start of injection timing. The higher reactivity separation between reformate mixture and diesel, compared with gasoline and diesel, causes the combustion phasing of reformate-diesel RCCI to be more sensitive to the start of injection timing. The maximum combustion efficiency was found at a CA50 before top dead center (TDC), whereas the maximum thermal efficiency occurs at a CA50 after TDC. The range of energy-based blend ratios in which reformate-diesel RCCI is possible is between 25% and 45%, limited by ringing intensity (RI) at the low limit of blend ratios, and coefficient of variance (COV) of net indicated mean effective pressure (IMEPn) and combustion efficiency at the high limit. Intake boosting becomes necessary due to the oxygen deficiency caused by the low energy density of the reformate mixtures as it displaces intake air.

Engineering↗
DOE OSTI2021

Signature Analysis Utilizing a Dynamic Molten Salt Reactor Model for MC&A

Moving from traditional fixed fuel nuclear reactor systems to a mobile, dynamic fuel system that has dissolved special nuclear material in a molten salt is a paradigm shift in several respects. One major consideration is how to develop effective nuclear material controls and accounting for these novel reactor systems. The Molten Salt Reactor Experiment is one example of a critical molten salt system and provided a significant reference library based on the documented effort. But it was low thermal power that was not intended to reflect a commercial scale electricity production design. Therefore, to facilitate and assist vendors with domestic licensing considerations, research is underway to identify methods that could be used for domestic safeguards approaches for these novel reactor systems. This research presents the results of a signature analysis of data generated from three simulated scenarios using the molten salt demonstration reactor model defined in the Transient Simulation Framework of Reconfigurable Modules. Each scenario provides 1 hour isotope inventories over a 180 day period. The scenarios investigated provide test cases to examine if direct gamma-ray spectroscopy of the fuel can be used to identify changes comparing a base case (no reactivity control and fixed fission contribution) to an insertion of reactivity (10 pcm no change in fission composition) and a change in fission composition. The analysis demonstrates that monitoring the total count rate in a highly collimated high-resolution photon energy spectrum is sensitive to perturbations imposed into the reactor model. The total photon count rate changes ≈2% for the fission composition change and ≈4.5% for the reactivity insertion compared to the base case. However, both scenarios show an increase in the total photon count rate. The total photon count rate can be used to identify changes due to power (number of fissions) but not due to a change in the material undergoing fission. To distinguish between the two cases of increased power, the photon spectrum would require an intensive analysis technique. A photon peak count rate ratio analysis could be used to identify changes in the fissile material fission generation in the core through identification of a static peak that shows little variation to the source of fission and a highly varying peak. The photon peak strength will ultimately be determined by the isotope’s fission yield. A preliminary analysis investigating the coupling of the isotope’s fission yield and its concentration in the fuel salt derived from the modeling has been performed. A ratio analysis of the photon peak count rates of 140 La to 99 Mo demonstrated that the reactivity insertion creates a distinct difference in the ratio compared to the fission composition change scenario.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Isolation of a Terminal Cobalt Nitride in a Metal–Organic Framework

Transition metal nitrides are reactive intermediates in biological and industrial processes. Chemists have synthesized molecular model complexes of such reactive species to understand their function and electronic requirements for new applications. However, molecular chemistry can suffer from intra- and intermolecular decomposition pathways, which preclude further discovery of unknown reactive species. Metal-organic frameworks offer an opportunity for creating long-lived forms of such species with the vacuum of the pore suppressing degradation while simultaneously enabling substrate access for controlled reactivity studies. Here, in this study, we report the characterization of an elusive terminal cobalt nitride species generated through photolysis or thermolysis of a site-isolated cobalt azide within the evacuated metal-organic framework CoN 3 -MFU-4l. The first crystal structure of such a species is presented, with vibrational, X-ray absorption, and electron paramagnetic resonance spectroscopies providing further direct evidence for its formation while elucidating its electronic structure. The system additionally enables subsequent reactivity studies with selected substrates, revealing a unique ambiphilic behavior for a metal nitride species.

Börgel, Jonas [University of California, Berkeley,↗
DOE OSTI2023

Online transfer learning strategy for enhancing the scalability and deployment of deep reinforcement learning control in smart buildings

In recent years, advanced control strategies based on Deep Reinforcement Learning (DRL) proved to be effective in optimizing the management of integrated energy systems in buildings, reducing energy costs and improving indoor comfort conditions when compared to traditional reactive controllers. However, the scalability and implementation of DRL controllers are still limited since they require a considerable amount of time before converging to a near-optimal solution. This issue is currently addressed in literature through the offline pre-training of the DRL agent. However this solution results in two main critical issues: (1) the need to develop a building surrogate model to perform the training task, and (2) the need to perform a fine-tuning process over several training episodes to obtain a near-optimal control policy. In this context, this paper introduces an Online Transfer Learning (OTL) strategy that exploits two knowledge-sharing techniques, weight-initialization and imitation learning, to transfer a DRL control policy from a source office building to various target buildings in a simulation environment coupling EnergyPlus and Python. A DRL controller based on discrete Soft Actor–Critic (SAC) is trained on the source building to manage the operation of a cooling system consisting of a chiller and a thermal storage. Several target buildings are defined to benchmark the performance of the OTL strategy with that of a Rule-Based Controller (RBC) and two DRL-based control strategies, deployed in offline and online fashion. The strategy adopted for OTL emulates the real world implementation with a simulation process by implementing the transferred DRL agent for a single episode in the target buildings. Target buildings have the same geometrical features and are served by the same energy system as the source building, but differ in terms of weather conditions, electricity price schedules, occupancy patterns, and building envelope efficiency levels. The results show that the OTL strategy can reduce the cumulated sum of temperature violations on average by 50% and 80% respectively when compared to RBC and online DRL while enhancing the energy system operation with electricity cost savings ranging between 20% and 40%. Furthermore, the OTL agent performs slightly worse than the offline DRL controller but it does not require any modeling effort and can be implemented directly on target buildings emulating a real-world implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Examination of a Methane/Diesel RCCI Engine Using Pele: Preprint

Multi-fuel, advanced injection strategies have become increasingly promising as a strategy to mitigate the emissions generated from internal combustion engines. By carefully controlling the combustion phasing in-cylinder, these new multi-pulse, multi-fuel injection strategies are able to burn in the low-temperature combustion regime where both NOx and soot are not readily produced, reducing the need for extensive exhaust gas recirculation systems. In this study, we examine a reactivity-controlled compression ignition (RCCI) strategy that uses an early pre-filled methane-air mixture with low turbulence background as the low-reactivity fuel and a direct injection of four discrete dodecane jets as a surrogate for the high-reactivity diesel fuel. We use the Pele software suite, a highly optimized, exascale-ready, adaptive mesh refinement codebase to perform high-resolution numerical simulations of a scaled down, single cylinder from the RCCI engine. Here, we resolve the ignition kernels down to micrometer scales and present several statistical quantities evaluating the development of the flow and detailing the onset of ignition and subsequent flame development. Particular attention is paid to the conditions surrounding the onset of the first ignition kernels and discussing what led to the development of those conditions.

CFD↗
DOE OSTI2026

Biconjugate Impedance Matching Control of the HERO WEC: Preprint

Effective control strategies are essential for maximizing the power output of wave energy converters (WECs). In this study, we explore the methodology of port-based modelling which can be used for bi-conjugate impedance matching, a type of reactive control that involves maximizing power transfer by setting the load (PTO) impedance to be the complex conjugate of the source impedance (WEC). Despite its foundational role in electrical engineering, this method has seen limited application in wave energy and has not yet been demonstrated in wave-powered desalination systems. We represent our complex multidisciplinary system as an equivalent circuit to explore frequency-based relations. The HERO WEC, a small-scale, modular point absorber (PA) designed for reverse osmosis desalination is used as a case study to demonstrate port-based modelling for control applications. Improving the performance of wave-powered water desalination systems could play a critical role in addressing freshwater scarcity for coastal communities, especially those in remote or disaster-prone regions.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Burnable absorbers in nuclear reactors – A review

Burnable absorbers can benefit nuclear reactors of virtually any design by providing reactivity control for extended fuel cycles, tritium production, burning of long-lived radionuclides, and reactor safety. When selecting the ideal burnable absorber type and its design, one must consider the resulting impact on the reactor’s fuel cycle design and cost, reactivity, thermal hydraulics, manufacturing, and radiation response. These selection criteria, as well as neutronic and thermophysical material property requirements, may be vastly different depending on whether the burnable absorber is intended for use in a commercial water-cooled reactor, a research reactor, or a next-generation advanced reactor system. A recent integration, synthesis, description of past and present technologies, and identification of existing gaps and areas of future research is lacking on these important topics. Here, this paper includes a fundamental description of the use of burnable absorbers and their impacts on reactivity, absorber depletion, self-shielding, basic thermophysical properties, and the use of burnable absorbers in next-generation nuclear applications..

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Exploring the Effects of Piston Bowl Geometry and Injector Included Angle on Dual-Fuel and Single-Fuel RCCI

Abstract Reactivity control compression ignition (RCCI) is a low-temperature combustion technique that has been proposed to meet the current demand for high thermal efficiency and low engine-out emissions. However, its requirement of two separate fuel systems (i.e., a low-reactivity fuel system and a high-reactivity fuel system) has been one of its major challenges in the last decade. This leads to the single-fuel RCCI concept, where the secondary fuel (reformates of diesel) is generated from the primary fuel (diesel) through catalytic partial oxidation reformation. Following the in-depth analysis of the reformate fuel (reformates of diesel) and its benefit as the low-reactivity fuel with diesel, the effects of the start of injection (SOI) timing of diesel and the energy-based blend ratio were also studied in detail. In this study, the effects of piston profile and the injector included angles were experimentally examined using both conventional fuel pairs (gasoline—diesel and natural gas—diesel) and reformate RCCI. A validated computational fluid dynamics (CFD) model was also used for a better understanding of the experimental trends. Comparing a reentrant bowl piston with a shallow bowl piston at a constant compression ratio and SOI, the latter showed better thermal efficiency, regardless of the fuel combination, due to its 10% lower surface area for the heat transfer. Comparing the 150-degree included angle and 60-degree included angle on the shallow bowl piston, the latter showed better combustion efficiency, regardless of the fuel combination, due to its earlier combustion phasing (at constant SOI timing). The effect was particularly prominent on reformate RCCI because of its incredibly high diluent concentration, which retards the combustion further for the 150-deg injector. Later, using convergecfd, seven different injector included angles were studied at a constant SOI. With the change in injector included angle, the region of the cylinder targeted by the fuel spray varies significantly, and it was found to have a significant impact on the combustion efficiency and the engine-out emissions. As the injector included angle changed from 60-deg to 150-deg, the combustion efficiency increased by 15% and the CO, NOx, and HC emissions decreased by 96%, 70%, and 86%, respectively.

Engineering↗
NASA NTRS1992

Increasingly automated procedure acquisition in dynamic systems

Procedures are widely used by operators for controlling complex dynamic systems. Currently, most development of such procedures is done manually, consuming a large amount of paper, time, and manpower in the process. While automated knowledge acquisition is an active field of research, not much attention has been paid to the problem of computer-assisted acquisition and refinement of complex procedures for dynamic systems. The Procedure Acquisition for Reactive Control Assistant (PARC), which is designed to assist users in more systematically and automatically encoding and refining complex procedures. PARC is able to elicit knowledge interactively from the user during operation of the dynamic system. We categorize procedure refinement into two stages: diagnosis - diagnose the failure and choose a repair - and repair - plan and perform the repair. The basic approach taken in PARC is to assist the user in all steps of this process by providing increased levels of assistance with layered tools. We illustrate the operation of PARC in refining procedures for the control of a robot arm.

Mathe, Nathalie↗
DOE OSTI2021

Renewable energy integration and system operation challenge: control and optimization of millions of devices

The electric power infrastructure, originally designed and built on large-scale power plants, is evolving into a more resilient power generation and delivery system in which millions of smaller units of distributed energy generation resources units will be installed in sub-transmission and distribution networks. In order to control, manage and optimize the future grid, a hierarchical design is presented in this chapter which enables the distributed control on grid edge while inheriting the existing centralized control structure. This layered design of large-scale power system operation and control uses the following principle: reactive power control is treated as a primary control for voltage stability, and the real power control is primarily a grid-level control but can also be a supplementary control for voltage support in the case of insufficient reactive power control capacity. For the purpose of active control and operation at the distribution level, a recursive power network model is derived from nodal injection and branch power flow models. Based on the model, the proposed algorithms of hierarchical control, grid-edge inference and dynamic hosting allowance are developed and presented for multi-level controlled operation. And, a co-simulation architecture of integrated T&D system is presented to validate and demonstrate the feasibility and scalability of proposed algorithms.

Xu, Ying↗
DOE OSTI2025

Dynamics modeling of molten salt reactor with reduced and expanded representations of delayed neutron precursors

Molten salt reactors (MSRs) present unique challenges in dynamic behavior due to the mobility of their fuel. In these reactors, delayed neutron precursors (DNPs) drift with the fuel circulation through the primary loop. As a result, a fraction of DNPs decays outside the core, effectively reducing the available delayed neutron population for reactivity control. Consequently, precise modeling of the distribution and behavior of DNPs is critical for accurate reactor dynamics simulations. In this study, the System Dynamics Analysis Tool (SDAT) was used to simulate a thermal-spectrum MSR under steady-state conditions and following transients. The effects of using reduced and expanded representations of DNPs with fewer or more groups than the conventional 6-group model were investigated. Their impact on the simulated distribution of precursors in the primary loop, reactivity loss value, and reactor response to transients was analyzed. Simulation results showed that reduced models lead to the loss of the actual DNPs distribution data, resulting in less accurate estimates of reactivity loss. Reactor power predictions using these reduced models showed significant deviations compared to those using the conventional 6-group model in transient simulations. Expanded models offered a more accurate representation of the distribution of DNPs and reactivity loss estimates. Reactor power predictions using expanded models showed minimal deviation from the conventional 6-group model during the simulated transients.

analysis↗
NASA NTRS1994

SCL: An off-the-shelf system for spacecraft control

In this age of shrinking military, civil, and commercial space budgets, an off-the-shelf solution is needed to provide a multimission approach to spacecraft control. A standard operational interface which can be applied to multiple spacecraft allows a common approach to ground and space operations. A trend for many space programs has been to reduce operational staff by applying autonomy to the spacecraft and to the ground stations. The Spacecraft Command Language (SCL) system developed by Interface and Control Systems, Inc. (ICS) provides an off-the-shelf solution for spacecraft operations. The SCL system is designed to provide a hyper-scripting interface which remains standard from program to program. The spacecraft and ground station hardware specifics are isolated to provide the maximum amount of portability from system to system. Uplink and downlink interfaces are also isolated to allow the system to perform independent of the communications protocols chosen. The SCL system can be used for both the ground stations and the spacecraft, or as a value added package for existing ground station environments. The SCL system provides an expanded stored commanding capability as well as a rule-based expert system on-board. The expert system allows reactive control on-board the spacecraft for functions such as electrical power systems (EPS), thermal control, etc. which have traditionally been performed on the ground. The SCL rule and scripting capability share a common syntax allowing control of scripts from rules and rules from scripts. Rather than telemeter over sampled data to the ground, the SCL system maintains a database on-board which is available for interrogation by the scripts and rules. The SCL knowledge base is constructed on the ground and uploaded to the spacecraft. The SCL system follows an open-systems approach allowing other tasks to communicate with SCL on the ground and in space. The SCL system was used on the Clementine program (launched January 25, 1994) and is required to have bidirectional communications with the guidance, navigation, and control (GNC) algorithms which were written as another task. Sequencing of the spacecraft maneuvers are handled by SCL, but the low-level thruster pulse commands are handled by the GNC software. Attitude information is reported back as telemetry, allowing the SCL expert system to inference on the changing data. The Clementine SCL flight software was largely reused from another Naval Center for Space Technology (NCST) satellite program. This paper details the SCL architecture and how an off-the-shelf solution makes sense for multimission spacecraft programs. The Clementine mission will be used as a case study in the application of the SCL to a 'fast track' program. The benefits of such a system in a 'better, cheaper, faster' climate will be discussed.

Buckley, Brian↗
DOE OSTI2026

Ultrafast Reactive Laser Sintering of Highly Conductive Garnet-Type LLZTO Solid Electrolytes

Rapid and scalable fabrication of garnet-type solid electrolytes remains a major challenge for the practical deployment of lithium metal batteries. Here, we report reactive laser sintering (RLS) as an ultrafast and potentially scalable strategy for fabricating garnet-type Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 (LLZTO) solid electrolytes. RLS of LLZTO enables simultaneous reaction and densification, achieving ∼95% relative density while minimizing lithium loss and suppressing secondary phase formation. Compared to conventional furnace sintering, RLS promotes enhanced grain growth and improved densification, leading to improved ionic conductivity (0.36 ± 0.08 mS cm −1 ) while maintaining comparable activation energies for Li + transport. Structural characterization by X-ray diffraction (XRD), Raman spectroscopy, and solid-state 6 Li/ 7 Li NMR confirms the formation of cubic garnet LLZTO with homogeneous microscale elemental distribution. In addition, nanoindentation measurements demonstrate that RLS preserves the mechanical properties of the garnet framework despite ultrafast localized thermal processing. By integrating simultaneous reaction and densification with tunable microstructural control, reactive laser sintering provides a promising manufacturing pathway for high-performance garnet solid electrolytes toward next-generation solid-state batteries.

CO2 laser↗
DOE OSTI2026

Formulation and Performance Evaluation of Epoxy Sealant Systems for Double-Shell Tank Bottom Refurbishment

The performance of epoxy sealants used in the refurbishment of double-shell tank (DST) systems requires balancing processability, thermomechanical stability, and adhesion to cementitious substrates. This study incorporates Heloxy 8 as a reactive diluent into Westlake 862 epoxy to tailor workability and cured-state properties. Rheological time-sweep analysis demonstrates that increasing the diluent content significantly reduces complex viscosity and extends workability, thereby improving pumpability and flow for large-area applications. However, the targeted 2-hour processing window is not fully achieved. Differential scanning calorimetry (DSC) confirms that all formulations cure at room temperature to glass transition temperatures ( T g ) at least 20 °C above the maximum DST operating temperature (27 °C), thereby ensuring service in the glassy regime. Dynamic mechanical analysis (DMA) reveals formulation-dependent reductions in tan delta and increases in storage modulus, indicating increasingly elastic and mechanically stable networks with diluent incorporation. Pull-off adhesion testing shows that modified formulations (70–90% Westlake epoxy) exhibit significantly higher adhesion strengths than the unmodified system. Grout cohesive failure indicates that interfacial bonding exceeds substrate strength. Collectively, these results demonstrate that controlled reactive diluent incorporation enables optimization of processing behavior, interfacial adhesion, and thermomechanical performance, supporting the suitability of the modified epoxy systems as durable sealant layers for cementitious barrier applications in hazardous waste containment infrastructure.

Differential scanning calorimetry↗
DOE OSTI2026

Supramolecular Arene‐Perfluoroarene Assembly Enhances Photoiniferter Polymerization Kinetics

Ultra-high-molecular-weight (UHMW, >106 Da) polymers have unique thermomechanical properties due to their large number of physical entanglements. Producing UHMW styrenic polymers is challenging because of their prohibitively slow homopolymerization kinetics. In this report, we show that alternating photoiniferter copolymerization between methoxy-functionalized styrenic monomers and pentafluorostyrene can circumvent this limitation under conditions where arene–perfluoroarene (AP) interactions contribute to favorable monomer association and accelerate copolymerization. Increasing methoxy substitution on the styrene arene ring leads to pronounced rate enhancements that correlate with electronic complementarity between the styrenic comonomers. Density functional theory calculations reveal increasingly favorable AP interaction energies across the series, consistent with monomer association contributing to faster propagation. The result is up to 2000% enhancement in propagation rate in copolymerizations compared to styrene homopolymerization. Despite these rate enhancements, the resulting materials retain broadly similar glass-transition temperatures and network-like thermomechanical behavior, with only modest softening across the series. Here, we then leverage the approach to produce UHMW trialkoxystyrene copolymers bearing sterically encumbered pendants, which are ultrasoft (Young's modulus of 8 kPa) and highly extensible (560%). These results establish that designed supramolecular association between styrenics is a powerful tool for controlling reactivity in radical polymerization and generating otherwise difficult-to-obtain materials.

Marquez, Joshua D. [University of Florida, Gainesv↗
DOE OSTI2026

Oxide nucleation via threshold-driven volume instability in Ni oxidation

Oxide nucleation dictates the onset of metal oxidation, yet the atomistic pathways bridging initial oxygen adsorption to bulk phase transformation remain elusive. Here, we utilize in-situ atomic-resolution imaging to directly capture the nucleation of nickel oxide, revealing a threshold-driven, cooperative transformation of Ni into NiO. Our observations identify a distinct incubation period during which oxygen progressively accumulates in subsurface layers. Once a critical concentration and penetration depth are reached, a collective lattice reconfiguration is triggered, abruptly converting multiple Ni layers into NiO. Atomistic simulations corroborate this mechanism, identifying a cooperative lattice instability induced by subsurface oxygen saturation. These results establish subsurface oxygen incorporation as the missing mechanistic link between surface adsorption and three-dimensional oxide formation, providing an atomistic framework to understand and control reactive phase transformations in materials synthesis, catalysis, and degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reactor and fuel cycle performance of light water reactor fuel with 235 U enrichments above 5%

Recent advances in nuclear fuel materials research, particularly on the topic of accident-tolerant fuels, have brought up potential opportunities for expanding the operating envelope of existing light water reactors. As many of the performance improvements offered by these technologies may be most fully realized by increasing fuel enrichment beyond the standard 5% limit, this paper examines the potential reactor performance and fuel cycle performance of low-enriched uranium oxide fueled light water reactors by generically considering pressurized water reactors with 235 U enrichment from 5 to 7%. Advanced cladding, including accident-tolerant cladding, has the potential to increase fuel burnup limits related to hydrogen in the cladding that coincide with those limits associated with end-of-life reactivity. Therefore, higher enrichment will be necessary in order to realize the higher fuel burnups. This work includes evaluation of the fuel cycle length, discharge burnup, reactivity coefficients, and fuel cycle performance, including radioactive waste and environmental impact metrics per unit energy generated. The analysis was performed using the evaluation metrics from the US Department of Energy Office of Nuclear Energy Fuel Cycle Evaluation and Screening Study. The reactor performance and safety analysis show that enrichments between 5 and 7% would have similar fuel temperature and moderator temperature coefficients. However, the soluble boron coefficient would decrease in magnitude, requiring more corrosive boric acid in the coolant or other methods of reactivity control during the fuel cycle. At these higher enrichments the maximum burnup at the rim of the fuel pellet would increase by almost a factor of two, which is expected to impact the formation of high-burnup structure in the fuel and the corresponding thermo-mechanical fuel properties. The fuel cycle performance assessment shows that increasing enrichment reduces the quantity of high-level waste disposed per unit energy generated, but it increases the natural resource requirements normalized to a gigawatt-electricity-per-year basis. Another impact is the slightly higher discharge burnup, resulting in somewhat different activity levels of the spent nuclear fuel and high-level waste radioactivity at 100 and 100,000 years after fuel discharge. The environmental impacts—including land use, water use, carbon emission, and radiological exposure—are of the same magnitude per unit energy generated. Finally, however, the impacts are distributed differently. Less than 5% enrichment has marginally more impact on the back-end of the fuel cycle, and greater than 5% enrichment has marginally more impact on the front-end of the fuel cycle. Ultimately, no neutronic or reactor safety hindrances to employing light water reactor fuel with enrichments greater than 5% are identified; given the achievable reactor performance benefits with advanced fuels, further practical exploration of increased enrichment fuel is recommended.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Methyl formate oxidation kinetics up to 100 atm

Methyl formate (MF, CH3OCHO), the simplest ester, is a representative oxygenated fuel with high oxygen content, and low sooting tendency. However, its oxidation behavior under high-pressure and intermediate-temperature conditions remains insufficiently understood, especially where low-temperature peroxy radical chemistry, methanol chemistry, and pressure-dependent reaction pathways play a critical role. In this study, MF oxidation experiments were conducted in the Princeton supercritical-pressure jet-stirred reactor (SP-JSR) at 20 and 100 atm over the temperature range of 400–950 K under both fuel-lean and fuel-rich conditions. Based on the experimental results, an updated HP-Mech was developed by incorporating previous MF sub-mechanisms, expanded low-temperature peroxy pathways, and evaluated pressure-dependent decomposition kinetics. The newly updated HP-Mech shows greatly improved performance in predicting the onset temperature, the key intermediate species fractions, methanol formation, and the progression of MF oxidation across all the experimental conditions. Path flux analysis indicates that MF consumption at the onset stage is dominated by H-abstraction at the methyl site, forming CH2OCHO radicals that lead to the formation and isomerization of O2CH2OCHO, driving low-temperature chain propagation. Moreover, H-abstraction at the formate site forms CH3OCO radicals that preferentially decompose to CH3, initiating the methanol formation pathway linked to CH3O2 and HO2 chemistry. At the same time, HO2 formation is strongly coupled to MF oxidation through multiple MF-derived radical pathways. HCO originates from MF oxidation and acts as a key coupling species linking fuel consumption to HO2 buildup, especially under high-pressure and intermediate-temperature conditions. In addition to this dominant channel, supplementary HO2 formation pathways involving CH3, CH3O, CH2OH, and CH3O2 reacting with O2 further connect methanol chemistry and oxygenated radical chemistry to the HO2 pool, indicating the central role of HO2 in governing MF oxidation. Sensitivity analysis identifies MF with OH/HO2/CH3O2 reactions and the HO2/H2O2/OH sequence as the key factors controlling reactivity in the high-pressure and intermediate-temperature regime. MF directly reacts with OH/HO2/CH3O2 to consume the fuel and produce reactive radicals like CH2OCHO and CH3OCO that undergo subsequent oxidation pathways. Moreover, HO2 recombination suppresses oxidation at lower temperatures, while thermal decomposition of H2O2 accelerates OH production and promotes fuel consumption as temperature increases. The direct formation of active OH from HO2 radicals further completes the mechanism, improving its prediction especially during the oxidation onset stage.

Low-temperature Chemistry↗