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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The impact of helium on plasma-driven hydrogen permeation and implications for direct internal recycling in the fusion fuel cycle

Abstract Metal foil pumps (MFPs) are the leading technology for direct internal recycling (DIR) of hydrogen isotopes from the plasma exhaust in future fusion plants. MFPs rely on the concept of superpermeation, where superthermal H atoms directly absorb into the metal foil, rapidly diffuse, and desorb downstream. To date, studies of superpermeation have predominantly employed either pure hydrogen or in some cases trace levels of impurities. The plasma exhaust is expected to contain just ∼1% helium, but in DIR the source gas would be enriched in helium as hydrogen isotopes are extracted. In this work, we explore the impact of helium on hydrogen superpermeation at low temperature (75 °C–200 °C) using Pd-based foils. To first order, the flux scaled linearly with the hydrogen mole fraction. Stable permeation was observed until the helium fraction reached ∼80%, where the flux began to decline slowly with time. In addition, short term (1–5 min) exposure to pure helium plasma significantly attenuated subsequent hydrogen plasma permeation, and the degree was more dramatic at elevated temperature. This attenuation was correlated with He retention in the foils, which was detected by time-of-flight secondary ion mass spectrometry at low levels (<0.1 at. %) and limited to the near surface (<10 nm). Similar trends were observed among all alloys (Pd, PdAg, PdCu), and the foils were restored to full performance with an Ar + sputter clean. The potential for helium plasma exposure to impact MFP performance under these conditions has not been previously reported, and these findings have significant implications to the design and implementation of practical DIR systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Chalkboard 2 - How to Make Clean Hydrogen

Clean hydrogen is a carbon-free energy carrier that can be produced from water and sustainable energy sources such as wind, solar, and nuclear. Therefore, clean hydrogen is one of the best ways to not only decarbonize the energy supply system, but also address the zero-emission challenges specific to large-carbon emitting industries that are difficult to separate from fossil fuels. To help achieve the Biden Administration's goal of a 100% clean energy economy and net-zero emissions by 2050, several tens of millions of metric tons of clean, low-cost hydrogen will be needed annually. The HydroGEN Advanced Water Splitting Materials (AWSM) Consortium was established in 2016 as part of the Energy Materials Network (EMN) under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office to enhance the performance, improve the durability, and reduce the cost of clean hydrogen production technologies, and it is helping to advance the H2@Scale vision.

08 HYDROGEN↗
DOE OSTI2021

Intrinsically Honeycomb-Patterned Hydrogenated Graphene

Since the advent of graphene ushered the era of 2D materials, many forms of hydrogenated graphene have been reported, exhibiting diverse properties ranging from a tunable bandgap to ferromagnetic ordering. Patterned hydrogenated graphene with micron-scale patterns has been fabricated by lithographic means. We report successful millimeter-scale synthesis of an intrinsically honeycomb-patterned form of hydrogenated graphene on Ru(0001) by epitaxial growth followed by hydrogenation is reported. Combining scanning tunneling microscopy observations with density-functional-theory (DFT) calculations, it is revealed that an atomic-hydrogen layer intercalates between graphene and Ru(0001). The result is a hydrogen honeycomb structure that serves as a template for the final hydrogenation, which converts the graphene into graphane only over the template, yielding honeycomb-patterned hydrogenated graphene (HPHG). In effect, HPHG is a form of patterned graphane. DFT calculations find that the unhydrogenated graphene regions embedded in the patterned graphane exhibit spin-polarized edge states. This type of growth mechanism provides a new pathway for the fabrication of intrinsically patterned graphene-based materials.

2D material↗
DOE OSTI2019

Hydrogen Uptake Kinetics of 1,4-Bis(phenylethynyl)benzene (DEB) Rubberized Coating on Silicone Foam Substrate

The hydrogen uptake kinetics of 1,4-bis(phenylethynyl)benzene, or DEB, mixed with palladium (Pd) on activated carbon in a rubber matrix coating on top of a porous silicone foam substrate are investigated. First, isothermal isobaric hydrogenation experiments were performed under different temperatures and H 2 pressures to extract the uptake kinetics. The H 2 uptake models based on the measured kinetic parameters were then employed to investigate/simulate the performance of the getter under dynamic application environments. The actual hydrogenation characteristics in this type of getter is multifaceted and involve actual H 2 concentration in the getter matrix, micrometer scale diffusion of atomic hydrogen away from Pd sites, precipitation of hydrogenated DEB crystals at the coating surfaces, and mobility of fresh DEB molecules. The kinetic analysis/modeling methodology described in this report can serve as a template for other gas-solid reactions as well. Aside from possessing a good hydrogen capacity and excellent performance, this type of rubberized getter also offers some unique advantages over traditional solid getter: flexible structure and protection of Pd catalyst from exposure to the environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Multiphysics Simulation of Supercritical CO2 Gasification for Hydrogen Production

A bench-scale supercritical CO2 gasifier is being considered by the U.S. Department of Energy’s National Energy Technology Laboratory (NETL). A reacting computational fluid dynamics (CFD) model was developed using ANSYS/Fluent in order to investigate the impact of various operating parameters on syngas composition. The model was validated using available data in the literature. Simulations were conducted over a range of coal-slurry loadings, reaction temperatures, system pressures, and oxygen mass flowrates with the goal of optimizing hydrogen production for the considered reactor. The results from the simulations identified a positive correlation between slurry loading and hydrogen production, while reactor temperature and pressure had a limited impact on H2 production at the conditions of interest. Additionally, the simulations indicated that oxygen mass flowrate has less of an impact on hydrogen production at higher slurry loadings.

Prlina, Alexander↗
DOE OSTI2022

Multiphysics simulation of supercritical CO 2 gasification for hydrogen production

A bench-scale supercritical CO 2 gasifier is being considered by the U.S. Department of Energy’s National Energy Technology Laboratory (NETL). A reacting computational fluid dynamics (CFD) model was developed using ANSYS/Fluent in order to investigate the impact of various operating parameters on syngas composition. The model was validated using available data in the literature. Simulations were conducted over a range of coal-slurry loadings, reaction temperatures, system pressures, and oxygen mass flowrates with the goal of optimizing hydrogen production for the considered reactor. The results from the simulations identified a positive correlation between slurry loading and hydrogen production, while reactor temperature and pressure had a limited impact on H 2 production at the conditions of interest. Additionally, the simulations indicated that oxygen mass flowrate has less of an impact on hydrogen production at higher slurry loadings.

08 HYDROGEN↗
DOE OSTI2025

A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage

The development of novel energy materials and fuels is required to expand current available energy sources. Aiming to reach this goal, there is growing interest in using molecular hydrogen as an energy carrier due to its abundance and high energy density. Liquid organic hydrogen carriers (LOHCs) are a promising route to the large-scale storage and transport of hydrogen for use in the energy economy. The search for thermodynamically viable LOHC molecules for real world use has led to a set of constraints on the dehydrogenation enthalpy and the minimum gravimetric hydrogen capacity. These constraints allow one to formulate the search for an ideal LOHC candidate molecule as an optimization problem well suited to the strengths of machine learning and artificial intelligence computational approaches. A critical barrier to a large-scale, high-throughput screening of LOHC candidate molecules is the lack of reliable training data. Computational electronic structure methods including density functional theory, coupled cluster approximations, and diffusion Monte Carlo can be used to provide training data where experimental data are either unreliable or do not exist. In this work, we use these methods to calculate the dehydrogenation energies and enthalpies of candidate LOHC molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Hydrogen's Economic Potential Within the United States

This presentation includes a very brief summary of the H2@Scale concept and results from the H2@Scale Technical and Economic Potential Analysis that was published in October 2020.

ENERGY PLANNING, POLICY, AND ECONOMY,HYDROGEN↗
DOE OSTI2026

A Generalized Grain-Scale Model for the Non-Plasma and Plasma-Assisted Hydrogen Direct Reduction of Iron Ore

Direct Reduction of Iron ore using hydrogen (H-DRI) is a promising pathway towards efficient steelmaking and accurate predictive models are a necessity for scale-up and optimization of this technology. However, accurate models of this process remain limited because existing models oversimplify grain-scale phenomena, such as nonlinearity inside grain, self-sufficient porosity, surface reactions, and the role of plasma species. These phenomena are important for flash steelmaking and plasma-assisted H-DRI processes. To address this need, we present a phenomenological model for simulating H-DRI at the scale of a single micron-sized grain of the iron ore. We call this the Transient Reactive Grain Model (TRGM). TRGM incorporates key physical process: gas species transport, a chemical kinetics of material conversion, nanopore structural evolution and, adsorption-desorption surface kinetics at the reactive nanopore surface. The important contribution of this work is that the model provides a dependence on different reductant species, specifically hydrogen atoms versus molecules, so that role of hydrogen plasma reduction can be clarified compared to the use of pure hydrogen gas reduction. TRGM predictions agree well with experimental data for both molecular H2 reduction of Fe2O3 and plasma hydrogen reduction of Fe3O4. Results reveal species concentration gradients with a diffuse reaction zone, and enhanced hydrogen diffusion at the grain outer surface due to evolving porosity. These findings challenge common assumptions in existing models, including sharp reaction fronts, quasi-steady diffusion and kinetics, and the neglect of surface chemistry. As a generalized grain-scale model for H-DRI processes, TRGM has practical applications in flash steelmaking and in-flight reduction using both molecular and plasma hydrogen.

08 HYDROGEN↗
DOE OSTI2024

Roles of kaolinite-oil-gas molecular interactions in hydrogen storage within depleted reservoirs

Hydrogen is a clean alternative to fossil fuels, emitting only water vapor during combustion. In a future hydrogen economy, large-scale storage will be an important component of the supply chain. Due to its low volumetric density, conventional surface storage methods are inadequate. Underground hydrogen storage (UHS) offers a viable solution, enabling the storage of millions of cubic meters. Among potential geological sites, including salt caverns, aquifers, and depleted gas reservoirs, depleted oil reservoirs show promise. Studying hydrogen interactions with residual oil and reservoir minerals is vital for understanding the properties of hydrogen and the reservoir post-injection. In this work, we employed molecular dynamics simulations to gain molecular-level insights into these interactions. We investigated hydrogen dissolution in oil, adsorption at kaolinite/oil interfaces, the role of CO 2 as a cushion gas, and the influence of kaolinite’s hydrophobicity on H 2 behavior. The main findings include: (1) hydrogen dissolves more in oil than in water, (2) the introduction of CO 2 suppresses hydrogen dissolution in oil and reduces the interfacial tension (IFT) between oil and gas, (3) CO 2 decreases H 2 partitioning near kaolinite surfaces due to its strong affinity for the hydrophilic gibbsite surface of kaolinite, and (4) CO 2 is more effective than H 2 in reducing IFT between kaolinite and the oil–gas mixture. These findings emphasize the effectiveness of CO 2 as a cushion gas and the important role of clay hydrophobicity in UHS, providing insights that are challenging to obtain experimentally.

08 HYDROGEN↗
DOE OSTI2024

Second Target Station Project: STS Cross-Directorate Workshop on Hydrogen Fuel

Hydrogen, particularly green hydrogen produced through electrolysis using renewable energy, is poised to play a critical role in decarbonizing the global economy. Its ability to address the intermittency of renewable energy sources and decarbonize hard-to-electrify sectors positions it as a vital component of a sustainable energy future. Interest in hydrogen as a clean energy carrier is in a decade of unprecedented growth, with dozens of countries having released national hydrogen strategies contributing to a global hydrogen economy. In 2021, the Department of Energy (DOE) announced the Hydrogen Shot, the first of the Energy Earthshot Initiatives, which aims to lower the cost of clean hydrogen to $\$$1/kg by 2031. This initiative was followed by a considerable increase in funding for hydrogen technologies through the Bipartisan Infrastructure Law (BIL), with $\$$18 billion recently announced for regional demonstration projects (Hydrogen Hubs) and another $\$$11.5 billion aimed at research and development of electrolyzers, fuel cells, manufacturing, and recycling. The 2023 U.S. National Clean Hydrogen Strategy and Roadmap identifies the cost of clean hydrogen as a critical challenge for achieving economic scale. This includes the cost of hydrogen production by electrolysis, delivery and dispensing, onboard storage, and end-use technologies like fuel cells. Fundamental research and development into catalysts, component architectures, and material durability are critical to lower the costs of these vital technologies aimed at achieving a net-zero carbon emission economy by 2050.

08 HYDROGEN↗
DOE OSTI2021

Opportunities to Enable Electrolytic H2 Projects for Ammonia in the United States

Integration of large-scale electrolysis with the grid provides value to hydrogen and ammonia markets as well as the electricity system. Electrolysis has the potential to provide an alternative source of low-cost hydrogen by utilizing low-price electricity that may have limited availability, resulting in possible economic benefits for ammonia production. The use of that low-price electricity can simultaneously benefit the grid by reducing the price suppression that may occur with increased penetration of variable renewable generation. In addition, the rapid-response characteristics of electrolyzers enables them to provide ancillary services to the grid, such as operating reserves and frequency control. However, electrolyzer capital cost reductions, favorable electricity pricing structures, or other technology or market advancements are likely needed to achieve hydrogen prices competitive with incumbent production technologies. We discuss near-term, niche prospects where low-cost electrolytic hydrogen and ammonia could be produced, possible applications for those products, and further opportunities and drivers that might enable them.

39 EE - Hydrogen and Fuel Cell Technologies (EE-3F↗
DOE OSTI2024

Techno-Economic Analysis of Green Hydrogen Energy Storage in a Cryogenic Flux Capacitor

Abstract The Cryogenic Flux Capacitor (CFC) is a cold, dense energy storage core that is being studied in the cryo-compressed, about 300 bar and 80K, region of gaseous hydrogen (GH2) storage and liquid hydrogen (LH2) region near the normal boiling point. Hydrogen storage is improved by physically bonding the molecules within the nanoscale pores of the aerogel composite blanket material. The process of bonding or debonding is governed by principles of physical adsorption (physisorption) and thermodynamics. The large surface area afforded by the nanoporous aerogel (∼1,000 m2/g) allows its storage performance to easily exceed capacities of high-pressure GH2 storage for an equivalent volume. With the integrated aerogel, subscale tests have shown that storage is increased by about 36% over a simple tank filled with GH2 at the same operating temperature and pressure. For LH2 conditions, the CFC is shown to operate at improved densities, but testing is ongoing. For the techno-economic analysis (TEA), the source of hydrogen is compared between onsite steam methane reforming (SMR) and onsite solar photovoltaic (PV) panels providing power to electrolyzers to produce green GH2. The TEA compares pure hydrogen produced at a small scale for a 25 MW power system and at a large scale in a 500 MW power system. The system allowed for hydrogen imports and exports at a set price with a tank sized for 10 hours of power production. The two power producing technologies are a combined cycle gas turbine (CCGT) and hydrogen fuel cells. The SMR system uses natural gas as an input and includes a carbon capture and storage (CCS) system. The levelized cost of electricity (LCOE), levelized cost of hydrogen (LCOH), and levelized cost of storage (LCOS) are developed based on the capital cost and operating cost of the systems. The results are shown for current costs using a 2021 benchmark and DOE projections for cost improvements by 2030. The TEA showed that onsite hydrogen generation from SMR has an LCOH of about 1.4 to 2 USD per kg over the life of the plant and the PV hydrogen production LCOH is about 5.2 to 5.5 USD per kg. The LCOS of conventional GH2 systems is estimated to be $210/MWh and cost of storage for LH2 systems is $205/MWh for fuel cell systems and $249/MWh for CCGT systems. CFC improved the LCOS of all these systems to $198/MWh, $191/MWh and $233/MWh respectively. The LCOE also improved with conventional systems between $171/MWh and $228/MWh improved by CFC to between $167/MWh and $212/MWh. Using projections for improvement in costs following DOE’s goals by 2030, green hydrogen improved to as low as $78/MWh LCOS and LCOE for conventional cases. CFC improved over conventional storage with the lowest LCOS being $62/MWh and the lowest LCOE being $73/MWh. These results correspond to an LCOH of $2/kg. Finally, the TEA shows how LCOE is improved for hydrogen conditioning and storage over conventional systems and caverns in the 10 to 50 hour range.

08 HYDROGEN↗
DOE OSTI2026

Hydrogen R&D at NREL

This presentation provides an overview of the hydrogen R&D activities at NREL, including make, store, move, and use hydrogen. At NREL, our research spans the advanced water splitting materials (AWSM) and hydrogen storage R&D, performed within the HydroGEN and HyMARC Energy Materials Networks (EMN), respectively, to the materials integration and scale up work done within the H2NEW consortium, to fuel cell R&D within the M2FCT consortium, to stack and systems testing at the MW-level. These R&D activities are funded by U.S. Department of Energy Hydrogen and Fuel Cell Technologies Office.

08 HYDROGEN↗
DOE OSTI2023

Scale-up and techno-economic analysis of microbial electrolysis cells for hydrogen production from wastewater

Microbial electrolysis cells (MECs) have demonstrated high-rate H 2 production while concurrently treating wastewater, but the transition in scale from laboratory research to systems that can be practically applied has encountered challenges. It has been more than a decade since the first pilot-scale MEC was reported, and in recent years, many attempts have been made to overcome the barriers and move the technology to the market. This study provided a detailed analysis of MEC scale-up efforts and summarized the key factors that should be considered to further develop the technology. We compared the major scale-up configurations and systematically evaluated their performance from both technical and economic perspectives. We characterized how system scale-up impacts the key performance metrics such as volumetric current density and H 2 production rate, and we proposed methods to evaluate and optimize system design and fabrication. In addition, preliminary techno-economic analysis indicates that MECs can be profitable in many different market scenarios with or without subsidies. Here, we also provide perspectives on future development needed to transition MEC technology to the marketplace.

42 ENGINEERING↗
DOE OSTI2023

Hydrogen Safety Review for Gas Turbines, SOFC, and High Temperature Hydrogen Production

This report presents an introduction and summary on hydrogen safety issues, as they relate to hydrogen production, storage, and use in the energy sector, primarily as related to electricity generation by gas turbines, and solid oxide fuel cells (SOFC), and hydrogen production from gasification and steam methane reforming processes. The impetus behind this effort is the U.S. DOE goal for decarbonization of the power generation sector by the year 2035. In many cases, hydrogen is expected to replace natural gas as the primary fuel source (or form of energy storage) to achieve this goal. Advanced technologies for large-scale energy production using hydrogen as a fuel source which can be deployed over the next 5–10 years will be required. However, to develop and mature these hydrogen-based technologies, it will be critical to identify the safety issues related to widespread use of hydrogen as a fuel source, so that they may be addressed prior to widespread deployment.

08 HYDROGEN↗
DOE OSTI2023

HydroGEN and H2NEW Data Hub

HydroGEN is a multi-lab consortium focused on early-stage R&D in H2 production, supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office (HFTO). The consortium advances research and development (R&D) of innovative materials for advanced water splitting (AWS) technologies to enable clean, sustainable and low-cost ($1/kg H2) hydrogen production and fosters cross-cutting innovation using theory-guided applied materials R&D to advance all emerging water-splitting pathways for hydrogen production. Hydrogen from Next-generation Electrolyzers of Water (H2NEW) is a consortium of nine U.S. Department of Energy (DOE) national laboratories focused on making large-scale electrolyzers, which produce hydrogen from electricity and water, more durable, efficient, and affordable. The presentation introduces the HydroGEN data hub to the H2NEW consortium and encourages H2NEW members to use it to store and share data with team members and eventually the public. The two consortia share this data hub.

advanced water splitting technologies↗