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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Capacity Assessment and Cost Analysis of Geologic Storage of Hydrogen: A Case Study in Intermountain-West Region USA

Hydrogen is an integral component of the current energy transition roadmap to decarbonize the economy and create an environmentally-sustainable future. However, surface storage options (e.g., tanks) do not provide the required capacity or durability to deploy a regional or nationwide hydrogen economy. In this study, we have analyzed the techno-economic feasibility of the geologic storage of hydrogen in depleted gas reservoirs, salt caverns, and saline aquifers in the Intermountain-West (I-WEST) region. We have identified the most favorable candidate sites for hydrogen storage and estimated the volumetric storage capacity. Our results show that the geologic storage of hydrogen can provide at least 72% of total energy consumption of the I-WEST region in 2020. We also calculated the capital and levelized costs of each storage option. We found that a depleted gas reservoir is the most cost-effective candidate among the three geologic storage options. Interestingly, the cushion gas type plays a significant role in the storage cost when we consider hydrogen storage in saline aquifers. The levelized costs of hydrogen storage in depleted gas reservoirs, salt caverns, and saline aquifers with large-scale storage capacity are approximately $\$$1.15, $\$$2.50, and $\$$3.27 per kg of H 2 , respectively. Here, this work provides essential guidance for the geologic hydrogen storage in the I-WEST region.

08 HYDROGEN↗
DOE OSTI2025

Integrated Systems-to-Atoms (S2A) Framework for Designing Resilient and Efficient Hydrogen Infrastructure Solutions

The success of a future clean hydrogen infrastructure will depend on technology performance, operating conditions, and system configuration, which will be integrated to meet specific end-use requirements. We introduce a Systems-to-Atoms framework to cosimulate material, device, and system design for clean hydrogen storage and transport. Here we present a demonstration scenario in which hydrogen is distributed using a liquid organic hydrogen carrier to 700 bar refueling stations. Cross-scale analysis on hydrogen release at the refueling station reveals that while a high reaction pressure (up to 100 bar) may not enhance the catalyst performance, it can lead to system-level cost savings (up to 5% of total refueling station cost) due to savings in downstream gas compression. Further, a typically low-performing dehydrogenation catalyst material (e.g., copper) may be preferred over a high-performing catalyst (e.g., palladium) at different operating conditions when considering overall system affordability and supply chain resilience.

08 HYDROGEN↗
DOE OSTI2025

Liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential

We simulate high-pressure hydrogen in its liquid phase close to molecular dissociation using a machine-learned interatomic potential. The model is trained with density functional theory (DFT) forces and energies, with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. We show that an accurate NequIP model, an E(3)-equivariant neural network potential, accurately reproduces the phase transition present in PBE. Moreover, the computational efficiency of this model allows for substantially longer molecular dynamics trajectories, enabling us to perform a finite-size scaling (FSS) analysis to distinguish between a crossover and a true first-order phase transition. Here, we locate the critical point of this transition, the liquid-liquid phase transition (LLPT), at 1200-1300 K and 155-160 GPa, a temperature lower than most previous estimates and close to the melting transition.

08 HYDROGEN↗
DOE OSTI2024

Techno-Economic Analysis of Large-Scale Hydrogen Production from Solid Oxide Electrolysis Cell Systems

The objective of this study is to establish a detailed techno-economic analysis to assess the effectiveness of incremental technology improvements needed for solid oxide electrolysis cell (SOEC) technology to achieve the U.S. DOE’s Hydrogen Shot goal of hydrogen production at less than $1 per kilogram. The pathway considers incremental technology improvements to key system parameters, with system performance and cost assessed for each pathway step. Briefly, the steps include cell voltage degradation rate improvements, operational current density increases, operating temperature reduction, improved steam utilization, increased system capacity factor, and reduced cell/stack capital costs. Each step is assessed at both atmospheric and pressurized (8 bar) operating conditions. To supplement assessment at each of these discrete stepwise improvements, sensitivity studies are conducted to understand the relative impact of each parameter and identify avenues for additional cost reductions. System efficiency and levelized costs of hydrogen (LCOH) for each case are presented. For the end-of-pathway case, which includes all the incremental research and development improvements, the cost of hydrogen produced is reduced by 50 percent from the state-of-the-art case.

08 HYDROGEN↗
DOE OSTI2023

Risk Analysis of a 100 MW Hydrogen Generation Facility near a Nuclear Power Plant

Nuclear power plants (NPPs) are considering flexible plant operations to take advantage of excess thermal and electrical energy. One option for NPPs is to pursue hydrogen production through high temperature electrolysis as an alternate revenue stream to remain economically viable. The intent of this study is to investigate the risk of a 100 MW hydrogen production facility in close proximity to an NPP. Previous analyses have evaluated preliminary designs of a hydrogen production facility in a conservative manner to determine if it is feasible to co-locate the facility within 1 km of an NPP. This analysis specifically evaluates the risk components of a 100 MW hydrogen production facility design, including the likelihood of a leak within the system and the associated consequence to critical NPP targets. This analysis shows that although the likelihood of a leak in an HTEF is not negligible, the consequence to critical NPP targets is not expected to lead to a failure given adequate distance from the plant.

08 HYDROGEN↗
DOE OSTI2021

Validating modern methods for impurity analysis in fluoride salts

Salt impurities directly affect degradation of structural materials in molten salt environments, so impurity quantification and analysis of salts is important for the deployment of next generation molten salt nuclear reactors. Despite the importance of moisture and other oxygen containing impurities, reliable methods of measuring these impurities are not well qualified or commonly used. Herein, we present two methods for analysis of oxygen content and one method for analysis of hydrogen content in fluoride salts demonstrated on two batches of LiF-NaF-KF (FLiNaK) salt with differing purity levels. The intentional addition of varying amounts of oxygen and hydrogen to the FLiNaK salt as internal standards produced a linear response using a commercial combustion analysis instrument, and measured amounts were consistent with the standards. Overall, these results indicate the technique is a valid method for measuring oxygen and hydrogen content in fluoride salts. Corrosion studies of 316H in FLiNaK revealed 5 times more mass loss in the salt containing more impurities including hydrogen and transition metals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Resource Assessment for Hydrogen Production

This analysis was conducted in support of the U.S. Department of Energy's H2@Scale initiative, and this report examines the resources required to meet demand for an additional 10 million metric tonnes (MMT) of hydrogen in 2040. The technical potential of hydrogen production from fossil, nuclear, and renewable energy resources is presented. Updated maps describe the geographical distribution of hydrogen production potential from renewable energy resources. The results conclude that the technical resource availability of domestic energy resources is sufficient to meet an additional 10 MMT of hydrogen demand in 2040, without placing significant pressure on existing resources. While this level of hydrogen demand could result in a significant increase in renewable energy consumption, in particular, the technical potential of each resource is estimated to be sufficient to meet the demand. Future research, to enable the large-scale integration of hydrogen in the U.S. energy and other sectors, will include analyzing the geographic distribution of resources in relation to hydrogen demand for a variety of applications. Additional techno-economic analysis is also needed to understand the economic potential of hydrogen in other industries, beyond transportation; such analysis is currently being undertaken by a multi-lab project initiated by DOE in 2016. Finally, information from techno-economic analyses should be used to continually update and inform R&D targets for energy production, hydrogen production, and hydrogen utilization technologies.

08 HYDROGEN↗
DOE OSTI2021

Experimental and computational kinetics study of the liquid-phase hydrogenation of C=C and C=O bonds

Solvent effects on adsorption equilibrium and reaction kinetics are evaluated for hydrogenation reactions catalyzed by Pd/alumina in a series of different solvents. Three reactants – cyclohexene, benzene and benzaldehyde – and three solvents – n-heptane (HEP), methylcyclohexane (MCHA), decalin (DL) – have been investigated. Kinetic analysis of hydrogenation of cyclohexene reveals that hydrogen adsorbs on different sites from those where cyclohexene and the solvents adsorb; however, the presence of hydrogen on these separate sites affects the heats of adsorption of the hydrocarbons. When the solvent is a weakly interacting linear alkane (HEP), the rate determining step of the reaction is the first hydrogenation of adsorbed cyclohexene. Furthermore, this conclusion is supported by DFT calculations that show a higher enthalpy barrier for the first hydrogenation than for the second, while statistical thermodynamics analysis validates the physical significance of the entropy of adsorption parameters derived from the kinetic fitting of experimental data. By contrast, with solvents such as MCHA and DL, which interact more strongly with the metal surface and compete for active sites with the reactant and the surface intermediate, the rate limiting step seems to shift to the second hydrogenation step.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Integrated techno-economic framework for nuclear hydrogen production: assessing the role of high temperature steam electrolysis and safety considerations

This manuscript presents a comprehensive techno-economic assessment of nuclear integrated hydrogen production through high-temperature steam electrolysis (HTSE) in the U.S. Gulf Coast region. Given the significant role of hydrogen as an energy carrier and chemical feedstock, the research evaluates the feasibility of co-locating HTSE facilities with existing nuclear power plants (NPPs) to enhance hydrogen production efficiency and cost-effectiveness. Here, the study highlights the advantages of HTSE over traditional low-temperature electrolysis, particularly in leveraging thermal and electrical energy from NPPs. A novel framework for hydrogen deployment is introduced, integrating hydrogen market analysis, techno-economic evaluation (TEA), and safety assessments. The findings underscore the economic viability of hydrogen production in light of current market conditions, including fluctuating natural gas prices and the impact of production tax credits under the Inflation Reduction Act. A case study in the Gulf Coast region demonstrates the potential for strategic hydrogen production to meet growing industrial demand while ensuring safety and regulatory compliance. Overall, this research contributes to the advancement of nuclear integrated hydrogen production as a sustainable energy solution.

08 - HYDROGEN↗
DOE OSTI2023

Thermodynamic parametric analysis of refueling heavy-duty hydrogen fuel-cell electric vehicles

Reliable design and safe operation of heavy-duty hydrogen refueling stations are essential for the successful deployment of heavy-duty fuel cell electric vehicles (FCEVs). Fueling heavy-duty FCEVs is different from light-duty vehicles in terms of the dispensed hydrogen quantities and fueling rates, requiring tailored fueling station design for each vehicle class. In particular, the selection and design of the onboard hydrogen storage tank system and the fueling performance requirements influence the safe design of hydrogen fueling stations. A thermodynamic modeling and analysis are performed to evaluate the impact of various fueling parameters and boundary conditions on the fueling performance of heavy-duty FCEVs. Here, we studied the effect of dispenser pressure ramp rate and precooling temperature, initial tank temperature and pressure, ambient temperature, and onboard storage design parameters, such as onboard storage pipe diameter and length, on the fueling rate and final vehicle state-of-charge, while observing prescribed tank pressure and temperature safety limits. An important finding was the sensitivity of the temporal fueling rate profile and the final tank state of charge to the design factors impacting pressure drop between the dispenser and vehicle tank, including onboard storage pipe diameter selection, and flow coefficients of nozzle, valves, and fittings. The fueling rate profile impacts the design and cost of the hydrogen precooling unit upstream of the dispenser.

08 HYDROGEN↗
DOE OSTI2023

system2atoms

system2atoms is a suite of models that can simulate the performance of hydrogen infrastructure across multiple scales. Examples of the different scale levels include: 1. System Scale - techno-economic analysis for hydrogen applications, integration of hydrogen infrastructure with the electrical grid, and supply and demand constraints across applications 2. Component Scale - continuous-flow catalyst beds, electrochemical conversion units, gas-phase separators, pumps, compressors, storage tanks, evaporators, heaters, and coolers 3. Material Scale - surface reactions, degradation mechanisms, and catalyst poisoning

Mcnenly, MatthewJ↗
DOE OSTI2024

Is Clean Hydrogen Production a Good Fit for Questa? (Final Economic Impact Results) [Slides]

The Village of Questa, New Mexico is aiming to become a regional clean energy hub with robust and diverse employment opportunities for the local community supported by the energy sector and by other businesses inspired or attracted by abundant clean energy, outdoor recreation, and cultural opportunities. A coalition of stakeholders in the Village of Questa, comprising the Village, Kit Carson Electric Cooperative (KCEC), Questa Economic Development Fund, and Chevron, is exploring options to develop hydrogen production facilities as an opportunity to create jobs, provide reliable clean energy, and utilize former mine resources. Questa is home to a molybdenum mine owned by Chevron that closed in 2014. Several residents in Questa and surrounding communities lost their jobs when the mine closed and transitioned from active operations into environmental remediation. Although remediation efforts have been ongoing since 2014 and are expected to continue for at least 16 more years, the number of jobs with Chevron is much smaller now than it was before the closure. Between available workforce, brownfield land, and water rights formerly supporting mine operations but now in a transition period, there are considerable local resources that could be directed toward clean energy generation. Questa's electricity supply is already 100% solar during daylight hours thanks to Kit Carson Electric Cooperative's (KCEC's) strategic decision-making and partnering over the last decade. Now, Questa, KCEC, and Chevron are exploring the potential costs and benefits of siting an electrolytic hydrogen production facility and additional solar photovoltaic (PV) capacity in Questa to further advance the region's clean energy economy. In this report, we estimated the potential economic impacts (i.e., jobs, value added, gross output, tax revenue) of constructing and operating a combined hydrogen (32 MW polymer electrolyte membrane electrolizer + 7.5 MW fuel cell) and solar facility (22.5 MW) in the Village of Questa, as well as the resulting economic spillovers to Taos County and the state of New Mexico. We employ an input-output model that leverages IMPLAN's economic data for the region complemented by construction and operating expenses estimated by NREL and feedback from the local coalition to evaluate the direct, indirect and induced effects of the project construction (transient impacts) and operation (more permanent impacts). Based on the area's average trade profile, feedback from the coalition and current market conditions, these projects are expected to support 487 full-time equivalent jobs during construction, generating $\$24$ million in income for those workers and $\$82$ million in local economic activity in the state. Of those jobs, 106 are expected to be construction sector jobs. These investments are also estimated to add $\$36.5$ million to New Mexico's gross state product (GSP). In the Village of Questa, we estimate 16 jobs will be supported in construction and transportation industries, generating $\$0.9$ million in earnings. In Taos County, the construction phase is expected to support 285 jobs primarily in construction and professional services, while manufacturing jobs dominate the results for the Rest of New Mexico. The Village is also estimated to receive $\$0.9$ million in tax revenue from the construction phase alone. Once in operation, the project continues to impact the state and Questa. Around 20 jobs (full-time equivalent for each year of operation) are supported across New Mexico, with approximately 11 directly employed in Questa by both facilities. The total annual local economic activity supported by ongoing operations is just over $\$1.3$ million/yr, generating $\$1.6$ million/yr in additional income in the state. Annual operations are estimated to add $\$2.1$ million to the state's GSP. The Village is expected to receive around $\$43,000$/yr in tax revenue. Impacts vary significantly depending on which businesses are supplying materials, equipment and services, and where construction workers reside. Choosing local suppliers will most benefit Questa and the New Mexico economy, adding up to 500 jobs during construction and 13 long-term jobs. Local and state governments may consider ways to incentivize local businesses in order to maximize economic benefits.

08 HYDROGEN↗
DOE OSTI2024

Is Clean Hydrogen Production a Good Fit for Questa? Final Economic Impact Results

The Village of Questa, New Mexico is aiming to become a regional clean energy hub with robust and diverse employment opportunities for the local community supported by the energy sector and by other businesses inspired or attracted by abundant clean energy, outdoor recreation, and cultural opportunities. A coalition of stakeholders in the Village of Questa, comprising the Village, Kit Carson Electric Cooperative (KCEC), Questa Economic Development Fund, and Chevron, is exploring options to develop hydrogen production facilities as an opportunity to create jobs, provide reliable clean energy, and utilize former mine resources. Questa is home to a molybdenum mine owned by Chevron that closed in 2014. Several residents in Questa and surrounding communities lost their jobs when the mine closed and transitioned from active operations into environmental remediation. Although remediation efforts have been ongoing since 2014 and are expected to continue for at least 16 more years, the number of jobs with Chevron is much smaller now than it was before the closure. Between available workforce, brownfield land, and water rights formerly supporting mine operations but now in a transition period, there are considerable local resources that could be directed toward clean energy generation. Questa's electricity supply is already 100% solar during daylight hours thanks to Kit Carson Electric Cooperative's (KCEC's) strategic decision-making and partnering over the last decade. Now, Questa, KCEC, and Chevron are exploring the potential costs and benefits of siting an electrolytic hydrogen production facility and additional solar photovoltaic (PV) capacity in Questa to further advance the region's clean energy economy. In this report, we estimated the potential economic impacts (i.e., jobs, value added, gross output, tax revenue) of constructing and operating a combined hydrogen (32 MW polymer electrolyte membrane electrolizer + 7.5 MW fuel cell) and solar facility (22.5 MW) in the Village of Questa, as well as the resulting economic spillovers to Taos County and the state of New Mexico. We employ an input-output model that leverages IMPLAN's economic data for the region complemented by construction and operating expenses estimated by NREL and feedback from the local coalition to evaluate the direct, indirect and induced effects of the project construction (transient impacts) and operation (more permanent impacts). Based on the area's average trade profile, feedback from the coalition and current market conditions, these projects are expected to support 487 full-time equivalent jobs during construction, generating $\$24$ million in income for those workers and $\$82$ million in local economic activity in the state. Of those jobs, 106 are expected to be construction sector jobs. These investments are also estimated to add $\$36.5$ million to New Mexico's gross state product (GSP). In the Village of Questa, we estimate 16 jobs will be supported in construction and transportation industries, generating $\$0.9$ million in earnings. In Taos County, the construction phase is expected to support 285 jobs primarily in construction and professional services, while manufacturing jobs dominate the results for the Rest of New Mexico. The Village is also estimated to receive $\$0.9$ million in tax revenue from the construction phase alone. Once in operation, the project continues to impact the state and Questa. Around 20 jobs (full-time equivalent for each year of operation) are supported across New Mexico, with approximately 11 directly employed in Questa by both facilities. The total annual local economic activity supported by ongoing operations is just over $\$1.3$ million/yr, generating $\$1.6$ million/yr in additional income in the state. Annual operations are estimated to add $\$2.1$ million to the state's GSP. The Village is expected to receive around $\$43,000$/yr in tax revenue. Impacts vary significantly depending on which businesses are supplying materials, equipment and services, and where construction workers reside. Choosing local suppliers will most benefit Questa and the New Mexico economy, adding up to 500 jobs during construction and 13 long-term jobs. Local and state governments may consider ways to incentivize local businesses in order to maximize economic benefits.

08 HYDROGEN↗
DOE OSTI2023

Report on the Creation and Progress of the Hydrogen Regulatory Research Review Group

The current U.S. nuclear generation fleet is increasingly recognized by governmental, scientific, public policy, and industrial communities as having a strategic role in support of the ongoing national transition to a clean energy future. Federal incentives and actions are aligning to expand the role of nuclear power as a viable and more flexible contributor to the evolving national clean energy mix through programs and initiatives such as nuclear power loan guarantees; the Inflation Reduction Act’s (IRA) clean nuclear electrical, steam, and hydrogen incentives; the Infrastructure Investment and Jobs Act (IIJA, also referred to as the Bipartisan Infrastructure Act or BIL); and near term Department of Energy (DOE) funding opportunities related to nuclear based hydrogen hubs and nuclear integrated hydrogen demonstration projects. . Additionally, leveraging clean nuclear electricity and steam is being explored by industries desiring to transition away from carbon-intensive energy sources. Even with all these emerging enablers, notable barriers remain for the widespread adoption of these opportunities within the U.S. nuclear fleet, including the following: • Assurance of the markets for alternate products needed to support decision-making for large capital modification investments • Electric utility mindset and business history centered solely on producing electricity • Design change complexity and regulatory uncertainty associated with plant modifications needed to support alternate product streams The DOE Light Water Reactor Sustainability (LWRS) Flexible Plant Operations and Generation (FPOG) Pathway is developing options to help U.S. nuclear power plants (NPP) in all these areas to enable NPPs designed for steady baseload operation to integrate with intermittent wind and solar capacity to assure reliable clean energy for the nation. Current and near-term laboratory research is focusing on the technical, regulatory, safety, demonstration, and economic elements in support of improving nuclear plant flexibility through hybrid production of electricity and other non-electric products such as hydrogen and energy arbitrage.

42 ENGINEERING↗
DOE OSTI2023

Technoeconomic Model and Pathway to <$2/kg Green Hydrogen Using Integrated Halide Perovskite Photoelectrochemical Cells

The cost of gray hydrogen produced via fossil fuel-based steam-methane reforming has led the U.S. Department of Energy to specify <$\$$2/kg H 2 as a target for commercially competitive green hydrogen generation methods. Integrated photoelectrochemical cells have been proposed as a solar-to-hydrogen conversion technology. In this paper we describe a technoeconomically feasible pathway to reaching <$\$$2/kg green H 2 using integrated photoelectrochemical cells with halide perovskite photoabsorbers, low-cost conductive barriers, and low precious metal-content catalysts in an aqueous, membrane-separated cell. A base-case solar-to-hydrogen conversion efficiency of 20%, stable lifetime of 10 years, and a combined electrocatalyst-plus-panel cost of $\$$50/m 2 enabled a levelized cost of hydrogen of $\$$2.43/kg, which dropped below $\$$2/kg with improved performance metrics including material cost, improvements in process design, or subsidies. We relate these metrics to lab-scale reports to recommend best research practices for scientists and funding agencies working at this intersection of photovoltaics, electrocatalysis, and surface science.

$1/kg↗
DOE OSTI2020

Development of an Electrochemical Hydrogen Contaminant Detector

Hydrogen refueling stations (HRSs) that dispense hydrogen to fuel cell vehicles need to ensure the quality of hydrogen to avoid contamination of the vehicle’s expensive fuel cell stacks. Currently, stations verify their fuel quality only periodically to ensure that they meet the strict fuel quality standards specified by either International Organization for Standards (ISO) or Society for Automotive Engineers (SAE). The development of hydrogen contaminant detectors (HCDs) that can provide low cost continuous monitoring at the HRS can be an invaluable asset in protecting fuel cell vehicles from any fuel contamination in-between infrequent expensive analysis of hydrogen fuel quality. An HCD capable of detecting < 200 ppb of CO in hydrogen is presented in this paper. The HCD is based on an electrochemical hydrogen pumping cell whose ultra-low loaded working electrode is poisoned by the contaminant, thus reducing its hydrogen oxidation reaction rate. The hydrogen pumping cell consists of a Nafion® membrane, a sputtered Pt working electrode, a Pt/Ru counter/pseudo-reference electrode and an internal water wicking system that provides humidification to the membrane and electrodes. When this HCD is operated in a pulsed voltammetry mode, it can provide stable CO response for thousands of hours in a HRS.

47 OTHER INSTRUMENTATION↗