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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 361 records · Page 20

Distributed clean energy opportunities for US oil refinery operations

The oil and gas industry is increasingly seeking operational improvements to reduce costs and emissions while improving resilience. This study describes techno-economic analysis of opportunities for distributed energy resources that could be integrated to support oil and gas companies’ economic, environmental, and energy resiliency goals. Specifically, the analysis evaluates solar photovoltaics, wind turbines, battery energy storage, landfill gas, biomass, municipal solid waste-to-energy, solar steam for process heat, combined heat and power, and electrolyzers for hydrogen production at two hypothetical refineries, one located in Louisiana and the other in southern California. These technologies could reduce the sites’ consumption of grid electricity and/or natural gas and thus can help reduce emissions. This study employs the ReOPT tool and System Advisor Model to evaluate the techno-economic potential for clean energy technologies to support refineries in achieving energy goals, including energy cost savings, resiliency, and emissions reductions. Results indicate that the associated costs of emissions reductions via several distributed clean energy technologies are competitive with other emissions reduction strategies such as energy efficiency, reducing flaring, direct carbon capture and sequestration, and markets under certain conditions. There are also cost beneficial opportunities for the use of renewable energy for refining, especially for resilience, depending on local conditions such as resources and utility costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Multiscale simulation of integrated energy system and electricity market interactions

Accelerating the deep decarbonization of the world's electric grids requires the coordination of complex energy systems and infrastructures across timescales from seconds to decades. Here, we present a new multiscale simulation framework that integrates process- and grid-centric modeling paradigms to better design, operate, and control integrated energy systems (IESs), which combine multiple technologies, in wholesale energy markets. Traditionally, IESs are analyzed with a process-centric paradigm such as levelized cost of electricity (LCOE) or annualized net revenue, ignoring important interactions with electricity markets. This framework explicitly models the complex interactions between an IES's bidding, scheduling, and control decisions and the energy market's clearing and settlement processes, while incorporating operational uncertainties. Through two case studies, we show the importance of understanding and quantifying complex resource-grid interactions. In case study 1, we demonstrate that optimized bidding from one resource shifts the profit distribution for all energy systems in the market. This result suggests new and more flexible IES technologies can disrupt the economics of all market participants, possibly leading to accelerated retirements of less flexible resources. Interestingly, the optimized bidding has little impact on grid-level aggregate statistics, such as total generation costs and renewable penetration rate. While aggregate modeling strategies may remain valid under some IES adoption scenarios for analysis focused on regional outcomes, direct comparisons of IES technologies at specific locations without considering these interactions may lead to misleading or incorrect conclusions. In case study 2, we consider the design and flexible operation of IESs that hybridize conventional generators with energy storage. Through a sensitivity analysis, we find that as the size of the storage system increases, the total number of start-ups for coal- and natural gas-based IESs reduced by 25% and 33.6%, and the total thermal generator ramping (i.e., mileage) reduced by 86.5% and 62.5%, respectively. This shows the primary benefit of storage may not be reduced operational costs (which do not change significantly) but fewer start-ups and less ramping, which may greatly simplify the design, operation, and control of carbon capture systems. The new modeling and optimization capabilities from this work enable the coupling of rigorous, dynamic process models with grid-level production cost models to quantitatively identify the nuanced interdependencies across these vast timescales that must be addressed to realize clean, safe, and secure energy production. Moreover, the proposed general multiscale simulation framework is applicable to all IES technologies and can be easily extended to consider other energy carriers (e.g., hydrogen, ammonia) and energy infrastructures (e.g., natural gas pipelines).

24 POWER TRANSMISSION AND DISTRIBUTION↗

Identifying Opportunities and Recommendations for the Integration of Advanced Reactors for Industrial Heat and Electricity Users

Nuclear power in the United States has been used traditionally to provide baseload electric power to the grid. Advancements in nuclear power to create smaller and safer reactors have renewed interest in nuclear as a source of both heat and electricity for a variety of applications. There is great interest in coupling nuclear reactors with industrial applications because nuclear power is a low carbon energy source that can be utilized for process heating, hydrogen generation, on-site electricity demand, and more. Idaho National Laboratory is developing guidelines to identify and assist industrial heat and electricity decarbonization by integrating with nuclear power plants (NPPs) to provide clean, abundant, and dispatchable energy. Considerations include specific industrial hazards which impact NPP siting, heat transport requirements and associated technologies, and implementation feasibility based on site-specific demand profiles. To assess integration feasibility, facility process models are developed based on real data obtained from a survey of baseline requirements and process information from industrial facilities in the United States. An assessment of safety and siting requirements is also performed to determine how nuclear industrial pairings could meet licensing requirements for NPPs. In addition, site characterization of an industrial plant is essential to determining the feasibility and suitable integration methods for each industry. Characterization includes facility distance from the nearest population center, site size, rail or water transport availability, and proximity to undeveloped land. These characteristics are important to determine reactor- or industry-side design requirements for safe, efficient operation. The siting and technical data assessment will reveal opportunities for single-use nuclear integration and co-location opportunities for industries to share benefits from a single reactor. In addition to existing facilities, this “energy-park” style cooperation could include new construction like data centers which can cost-share energy investments or provide a stable demand-and-revenue stream to the investor. Deliverables will contain a library of documents and models to guide various industries toward understanding nuclear technologies based on their users’ needs. This paper is a summary of the current project status, and provides insights on suitable pairings for specific industries and reactor technologies

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Transportation in net-zero emissions futures: Insights from the EMF-37 model intercomparison study

Transportation is currently the largest source of U.S. anthropogenic CO 2 emissions, at about a third of the total. Achieving net-zero emissions by mid-century will require substantial reductions in transportation emissions across passenger and freight travel. Here we leverage a model intercomparison study to explore the role of transportation in scenarios achieving net-zero economy-wide CO 2 emissions by 2050. We find the transport sector is poised to play the most significant role in reducing demand-side emissions, mostly driven by technology substitution, as modeling results suggest a limited role for mode shifting and for reduced use of personal car travel in the U.S. Among various technology solutions, models show agreement that passenger on-road vehicles will largely transition to electric vehicles (EVs), while solutions to decarbonize heavier travel modes are more diverse and include greater use of liquid biofuels and hydrogen. Research should continue to investigate the evolution of on-road electrification, the role of biofuels and hydrogen across heavier travel modes, and the role of mode shifting and travel behavior change to support personal transportation decarbonization at national and regional scales to temper the rapid growth in clean fuel and electricity demand.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Midwest Nuclear-based Net-Zero Carbon Steelmaking Demonstration

Globally, the iron and steel industry accounts for around a quarter of GHG emissions from the manufacturing sector , which is about 7% of the 33 gigatonnes (Gt) of global CO 2 emissions . Thus, globally, the steel industry is a 2-3 Gt CO 2 per year emissions challenge. The steel industry is important to the U.S. economy with output equal to $0.5 trillion and domestic production capacity is critical to national defense, infrastructure, energy production, and transportation. President Biden’s executive order on climate identifies actions and policies to put the Nation on a path to achieve net-zero carbon emissions, economy-wide, by no later than 2050. To achieve this, deep carbon reductions in the power, transportation, buildings and capital-intensive industrial manufacturing segments such as steel, cement and chemicals need to be addressed. In its recent “Accelerating Decarbonization of the U.S. Energy System” report , the National Academy of Sciences (NAS) stated that, “while technology exists to decarbonize all parts of the energy system, some sectors remain at precommercial or first-of-a-kind demonstration stages and require significant improvement in cost and performance to become commercially viable.” The NAS goes on to state that these hard to decarbonize sectors include “aviation, shipping, and industrial subsectors such as steel, cement, and chemicals manufacturing .” The Administration has proposed a timeline to decarbonize energy, transportation and then industry and manufacturing. From a life-cycle approach, decarbonizing steel and other large industrial inputs are necessary to decarbonize transformations in energy and transportation. DOE’s TRI-Lab Consortium’s Integrated Energy Systems (IES) program is a collaboration amongst DOE’s three applied energy laboratories: the National Energy Technology Laboratory; National Renewable Energy Laboratory and Idaho National Laboratory. The IES approach looks at more tightly integrating low-carbon nuclear energy, renewable electricity, energy storage, load/demand balancing, and biomass (including plastics and other wastes) with one or more industrial processes that utilize heat and/or power from these clean and waste energy sources to produce a low-carbon commodity-scale product.

08 HYDROGEN↗

Oxygen Adsorption, Subsurface Oxygen Layer Formation and Reaction with Hydrogen on Surfaces of a Pt–Rh Alloy Nanocrystal

The oxygen adsorption and its catalytic reaction with hydrogen on Pt–Rh single crystals were studied at the nanoscale by Field Emission Microscopy (FEM) and Field Ion Microscopy (FIM) techniques at 700 K. Both FEM and FIM use samples prepared as sharp tips, apexes of which mimic a single nanoparticle of catalyst considering their similar size and morphology. Oxygen adsorption on Pt-17.4 at.%Rh samples leads to the formation of subsurface oxygen, which is manifested in the field emission (FE) patterns: for O2 exposure of ~3 Langmuir (L), {113} planes appear bright in the emission pattern, while for higher oxygen doses, i.e. 84 L, the bright regions correspond to the high index planes between the {012} and {011} planes. Formation of subsurface oxygen is probably accompanied by a surface reconstruction of the nanocrystal. The subsurface oxygen can be effectively reacted off by subsequent exposure of the sample to hydrogen gas at 700 K. The hydrogenation reaction was observed as a sudden, eruptive change of the brightness seen on the FE pattern. This reaction resulted in the recovery of the initial field emission pattern characteristic of a clean tip, with {012} facets being the most visible. It was shown that the oxygen accumulation-reduction process is completely reversible. The obtained results indicate that the presence of subsurface species must be considered in the description of reactive processes on Pt–Rh catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Economic Case for Replacing High-Emitting Peaker Plants with Fuel Cells for Automotive Applications

The identification of clean and cost-effective solutions to replace high-emitting peaker plants and support a just transition is a challenge faced by utilities across the US today. However, falling costs of hydrogen production as well as the widespread availability of fuel cells for automotive applications have made them an attractive option for a zero-emission peak power supply. This study evaluates the techno-economics, operation, and environmental justice impacts of siting a peaker plant based on fuel cells for automotive applications through the lens of the existing Intermountain Power Plant, in order to supply peak power to the Los Angeles basin. Compared to the fossil fuel-fired peakers in operation today, the fuel cell peaker would be lower-cost up to a 17% capacity factor with Inflation Reduction Act incentives while also reducing air pollution in environmental justice communities. With corresponding transmission upgrades, the Intermountain site could host up to a 5 GW fuel cell peaker in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

One-pot hydrodeoxygenation (HDO) of lignin monomers to C9 hydrocarbons co-catalysed by Ru/C and Nb 2 O 5

A physical mixture of Ru/C and Nb 2 O 5 is an effective catalyst for upgrading lignin monomers under low H 2 pressure at 250 °C to a clean cut of hydrocarbon liquid fuels. The reaction solvent is water with a small amount of methanol additive. Hydrodeoxygenation (HDO) was evaluated using dihydroeugenol (DHE) as an exemplary lignin monomer model. Under optimized conditions, 100% conversion of DHE and very high selectivity to propyl cyclohexane (C9 hydrocarbon) was achieved. Nb 2 O 5 was prepared at a low temperature (450 °C) and was shown to contain acid sites that enhance the production of fully deoxygenated products. The methanol additive serves as a hydrogen source for the Ru/C catalysed reduction of the aromatic ring. In addition, when a substrate mixture of DHE, isoeugenol and 4-allylsyringol simulating lignin products was employed, 100% conversion to propyl cyclohexane (76%) and propyl benzene (24%) was observed, thereby suggesting the general applicability of this catalyst system for funneling lignin monomers into a clean cut of hydrocarbon liquid fuels. This study sheds light on the function of each catalyst component and provides a simple and green utilization of biomass monomers as a feedstock for renewable hydrocarbon fuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding Adsorption and Reactions at Aqueous Oxide Interfaces with Neural Network Potential Molecular Dynamics

Chemical processes at metal oxide−water interfaces are of central importance in geochemistry, biology, and energy technologies. A better understanding of these processes would allow us to make a significant step toward optimizing and controlling them, which could in turn lead to broader impacts. Computational modeling is indispensable to accomplishing this task because complexity and disorder often make it difficult to extract atomistic information from experiments. Balancing computational cost and accuracy, simulation schemes based on efficient machine learning representations of the potential energy surface (PES) predicted by ab initio calculations have become increasingly popular over the past decade. In particular, several studies have demonstrated the ability of machine learning models to accurately reproduce the complex ab initio PESs of aqueous oxide interfaces, allowing simulations of systems and processes that are not accessible with ab initio methods. In this Account, we review our recent efforts to understand adsorption processes and reactions at aqueous oxide interfaces using deep potential molecular dynamics (DPMD), a simulation scheme employing deep neural networks (DNNs), which has proven to be quite successful in accurately describing many different systems in the condensed phase. After summarizing the DPMD methodology, we first review our work on the acid−base chemistry of oxide surfaces in contact with water, a fundamental characteristic that controls proton transfer and surface charge at the interface. We focus on the aqueous interface of rutile IrO 2 , an oxide material thus far considered the best catalyst for the oxygen evolution reaction (OER). We show that this interface is characterized by a large fraction of dissociated water and a strong Brønsted acidity of the surface sites, in good agreement with the experimentally measured value of the point of zero proton charge. In our second example, we investigate how the adsorption of organic species from ambient air or water affects the structure and wettability of the aqueous interfaces of TiO 2 , a prototypical photocatalytic material. This is a question that is relevant to understanding the UV-induced hydrophilicity of TiO 2 surfaces, a property at the basis of self-cleaning windows and related applications. Specifically focusing on formic and acetic acids, the two most common atmospheric organic acids, our simulations reveal that these acids control the wettability of TiO 2 largely through acid−base chemistry at the interface rather than chemisorption on the oxide surface, a finding that could help improve the design of self-cleaning surfaces and photocatalytic devices. Finally, we review our recent study of methanol at TiO 2 −water interfaces, a system whose interest is largely motivated by the role of methanol in enhancing photocatalytic hydrogen evolution on TiO 2 . Our simulations provide mechanistic insights into the coupled roles of the organic adsorbate and water at the TiO 2 interface, with implications for how methanol enhances the activity of H 2 evolution.

adsorption↗

Modular Biomass Gasification for Co-Production of Hydrogen and Power

The overall goal of this project was to demonstrate a novel process-intensified and modular Combined Hydrogen, Heat and Power (CH 2 P) production technology, targeting commercial scales of 5-to-10-megawatt electric (MWe) equivalent of hydrogen (H 2 ). The process technology integrates a novel adaptation of the steam-iron process to produce high purity H 2 from gasification of biomass and biomass blends with a compression-ready carbon dioxide (CO 2 ) stream, enabling significant progress towards achieving $1 per kilogram (kg) cost for clean H 2 .

08 HYDROGEN↗

Instabilities and Mixing in Inertial Confinement Fusion

By imploding fuel of hydrogen isotopes, inertial confinement fusion (ICF) aims to create conditions that mimic those in the Sun's core. This is fluid dynamics in an extreme regime, with the ultimate goal of making nuclear fusion a viable clean energy source. The fuel must be reliably and symmetrically compressed to temperatures exceeding 100 million degrees Celsius. After the best part of a century of research, the foremost fusion milestone was reached in 2021, when ICF became the first technology to achieve an igniting fusion fuel (thermonuclear instability), and then in 2022 scientific energy breakeven was attained. A key trade-off of the ICF platform is that greater fuel compression leads to higher burn efficiency, but at the expense of amplified Rayleigh–Taylor and Richtmyer–Meshkov instabilities and kinetic-energy-wasting asymmetries. In extreme cases, these three-dimensional instabilities can completely break up the implosion. Even in the highest-yielding 2022 scientific breakeven experiment, high-atomic-number (high-Z) contaminants were unintentionally injected into the fuel. Here we review the pivotal role that fluid dynamics plays in the construction of a stable implosion and the decades of improved understanding and isolated experiments that have contributed to fusion ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermal Integration of Advanced Nuclear Reactors with a Reference Refinery, Methanol Synthesis, and a Wood Pulp Plant (Rev.1)

The present report is intended to provide process flow diagrams (PFDs) and energy and mass balance data sheets for a U.S. industrial sector subset with which nuclear heat and power could be integrated—a subset that includes the oil refining, methanol and pulp and paper industries. Coupling options for integrating nuclear energy into these industries are quantitatively outlined for reference systems, and future work will extend this analysis in greater detail. Opportunities for integrating small modular nuclear reactors (SMNRs) were investigated for each of the industrial process configurations. Aspen HYSYS and Cycle-Tempo models for a high-temperature gas-cooled reactor were developed to evaluate the proposed integration. This introductory evaluation provides a general description and assessment of the operating principles, reactor coolant core outlet temperature, and reactor size to be integrated with industry. The industrial processes of oil refining and the production of methanol, pulp and paper were simulated by using Aspen HYSYS, Aspen Plus, and the PRELIM (Petroleum Refinery Life Cycle Inventory Model) tool to develop process details. Cycle-Tempo models then extend the process modeling results to obtain net energy demands (e.g., heat, steam, and electricity) when accounting for process steam and waste heat recovery. This information is intended to foster the analysis of integrating an SMNR to decarbonize industrial facilities. The SMNR would provide reliable, competitive, and sustainable clean energy while reducing carbon emissions and other environmental impacts, such as water withdrawals, consumption, and contamination. The refining industry, exhibited in Figure ES1, is a leading consumer of fossil -fuel-based heat, power, and hydrogen in the U.S. industrial sector, generating over 164 million metric tons (MMT) of CO 2 emissions in 2023. The overall mass and energy pertaining to a generalized complex refinery in the United States is reflected in Figure ES1, along with energy metrics regarding integration with a nuclear power plant (NPP). Data sheets were developed to indicate the energy requirements for the overall refinery and each refinery process. The data sheet for the overall refinery is shown in Table ES2.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

How Low Can You Go? Nanoscale Membranes for Efficient Water Electrolysis

Motivated by the need to lower the cost of hydrogen (H 2 ) production by water electrolysis, significant research efforts are focused on making proton (H + ) exchange membrane (PEM) water electrolyzers more efficient and capable of operating at higher current densities. These aims can be met by making H + -conducting membranes thinner, which has the effect of lowering ohmic drops across the membrane that represent the largest efficiency loss at high current densities (>2 A cm –2 ). However, decreasing membrane thickness below 50 μm is not trivial due to trade-offs between membrane resistance, H 2 crossover (safety), membrane degradation, and manufacturing throughput. Furthermore, descriptions of key processes, limitations, and trade-offs that arise in thin membranes are provided that can be used to guide the design of ultrathin (i.e., submicron thick), low-resistance membrane materials that have the potential to transform the field of clean H 2 production.

08 HYDROGEN↗

Light Water Reactor Sustainability Program: Technical and Economic Considerations for Uprate of Existing Nuclear Reactors with Cogeneration

The United States nuclear reactor fleet consists of 63 pressurized water reactors and 31 boiling water reactors and is a pivotal component in the nation's energy infrastructure, supplying approximately 97 GW e of clean power. With the country's commitment to decarbonization by 2050, these reactors are not only instrumental in decarbonizing the electricity grid but also play a critical role in decarbonizing industrial processes, producing clean fuels, and scaling up CO 2 removal. This report delves into the potential for power uprates in the existing fleet to contribute to these decarbonization efforts, focusing on the expansion of capacity for applications such as hydrogen production and carbon capture and sequestration. Building on previous research, the report explores regional market demands for hydrogen, oxygen, and carbon dioxide, financial implications of oxygen and CO 2 sales from high-temperature steam electrolysis systems, and the potential for direct air capture systems paired with uprated nuclear plants.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Life-cycle analysis of greenhouse gas emissions from hydrogen delivery: A cost-guided analysis

The cost of hydrogen delivery for transportation accounts for most of the current H 2 selling price; delivery also requires substantial amounts of energy. In this work, we developed harmonized techno-economic and life-cycle emissions models of current and future H 2 production and delivery pathways. Our techno-economic analysis of dispensed H 2 costs guided our selection of pathways for the life-cycle analysis. In this paper, we present the results of market expansion scenarios using existing capabilities (for example, those that use H 2 from steam methane reforming, chlor-alkali, and natural gas liquid cracker plants), as well as results for future electrolysis plants that use nuclear, solar, and hydroelectric power. Reductions in greenhouse gas emissions for fuel cell electric vehicles compared to conventional gasoline pathways vary from 40% reduction for fossil-derived H 2 to 20-fold for clean H 2 . Supplemental tables with greenhouse gas emissions data for each step in the H 2 pathways enable readers to evaluate additional scenarios.

08 HYDROGEN↗

2022 roadmap on 3D printing for energy

The energy transition is one of the main challenges of our society and therefore a major driver for the scientific community. To ensure a smart transition to a sustainable future energy scenario different technologies such as energy harvesting using solar cells or windmills and chemical storage in batteries, super-capacitors or hydrogen have to be developed and ultimately deployed. New fabrication approaches based on additive manufacturing and the digitalization of the industrial processes increase the potential to achieve highly efficient and smart technologies required to increase the competitiveness of clean energy technologies against fossil fuels. In this frame, the present roadmap highlights the tremendous potential of 3D printing as a new route to fully automate the manufacturing of energy devices designed as digital files. Additionally, this article gives numerous guidelines to maximize the performance and efficiency of the next generation of 3D printed devices for the energy transition while reducing the waste of critical raw materials. In particular, the paper is focused on the current status, present challenges and the expected and required advances of 3D printing for the fabrication of the most relevant energy technologies such as fuel cells and electrolysers, batteries, solar cells, super-capacitors, thermoelectric generators, chemical reactors and turbomachinery.

36 MATERIALS SCIENCE↗

Advancements in Development and Testing of Thermal Power Dispatch Simulators

Flexible plant operations and generation (FPOG) offer nuclear power plants (NPPs) the chance to leverage alternative, non-electric revenue streams while ensuring their continued role as reliable, clean, and constant sources of baseload electrical power. The excess thermal energy generated from NPPs during periods of low electricity demand can be channeled as raw materials to numerous industrial processes via a thermal power dispatch (TPD) system. Hydrogen production via high-temperature steam electrolysis (HTSE) is an optimal use case based on technical and economic feasibility. Researchers at Idaho National Laboratory (INL) have conducted previous works that developed and implemented TPD system models within the GSE Solutions Generic Pressurized Water Reactor (GPWR) simulator to support human-in-the-loop (HITL) scenario-based evaluations. The first part of this report documents modifications made to the GPWR TPD model and HMI from the previous iteration in line with a new Sargent and Lundy (S&L) TPD design with an automatic control system. The was done in collaboration with Westinghouse using their three-loop pressurizer water reactor (W3LPWR) simulator which contains an industrial grade automatic control system for the TPD. This was installed in the Human Systems Simulation Laboratory (HSSL) at INL. The second part of the report documents findings from an all-hands-on-deck integration and verification workshop that was conducted in the HSSL over several days. The research team comprised INL human factors and TPD experts, a nuclear engineer from GSE Solutions who implemented the revised TPD model for GPWR, the human-machine interface (HMI) prototyping and human factors team from the University of Idaho, and personnel with operations experience with pressurized water reactors. The workshop provided time and expertise to conduct the final activities to bring the operations, HMI, and simulator into a functional state. The goals of the integration and verification workshop were: 1. to install the revised GPWR TPD model into the HSSL 2. verify the TPD HMI prototype was functional 3. integrate the HTSE Simulink model to GPWR. 3. Issues were identified for resolution, but overall the workshop accomplished its goal to integrated and verify the majority of the intended functional. Future work will resolve the identified issues and use the integrated simulation to support an evaluation and demonstration in the next fiscal year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗