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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Impact of reactor architecture and design parameters on the performance of microbial electrolysis cells revealed by the electrode potential slope analysis

Microbial electrolysis cells (MECs) are appealing for recovering the chemical energy contained in domestic and industrial liquid wastes as hydrogen gas. Despite several years of research in the field, there is still a lack of critical analysis of how the reactor architecture dictates the electrochemical performance of the cell. In this study, internal resistance and onset voltage from the electrode potential slope analysis (EPS) were used in combination with current density, hydrogen production rate, reactor packing density, electrode spacing, membrane type and composition from 23 different studies to identify the reactor design parameters that primarily govern electrochemical performance of MECs. Using anion exchange membranes resulted in smaller internal resistances (AEM R int = 41± 40 mΩ m 2 ) and larger current density (18 ± 14 A m −2 ) compared to single chamber reactors (SC R int = 68 ± 58 mΩ m 2 ; 22 ± 16 A m −2 ) or MECs with cation exchange membranes (CEM R int = 376 ± 280 mΩ m 2 ; 3.0 ± 2.1 A m −2 ). Higher electrochemical performance for AEM- and SC-MECs translated in larger hydrogen gas production rates (0.122 mL H 2 C −1 for AEM vs 0.117 mL H 2 C −1 for SC), but only when inhibitors against hydrogen scavengers were added in single chamber systems (0.080 mL H 2 C −1 for SC without inhibitors). Following membrane type and composition, maintaining a small electrode spacing was the most critical parameter to improve MEC performance, indicating that the low conductivity of the media primarily limit performance by increasing ohmic resistance. Here, reactor volume and electrode surface area negatively correlated with internal resistance and current density, indicating that better performance of scaled-up reactors can likely be obtained by stacking multiple smaller units rather than just increasing reactor size. Although challenges remain in the implementation of MECs for hydrogen production from liquid wastes, advances in electrochemical engineering of the reactors can facilitate scale up and performance prediction at scale.

Electrochemistry↗
DOE OSTI2024

Hybrid power plant design for low-carbon hydrogen in the United States

In this study, we provide a nationwide techno-economic analysis of clean hydrogen production powered by a hybrid renewable energy plant for over 50,000 locations in the United States. We leverage the open-source Hybrid Optimization Performance Platform (HOPP) tool to simulate the hourly performance of an off-grid wind-solar plant integrated with a 1-GW polymer exchange membrane electrolyzer system. The levelized cost of hydrogen is calculated for varying technology costs, and tax credits to explore cost sensitivities independent of plant design, performance, and site selection. Our findings suggest that strategies for cost reduction include selecting sites with abundant wind resources, complementary wind and solar resources, and optimizing the sizing of wind and solar assets to maximize the hybrid plant capacity factor. These strategies are linked to increased hydrogen production and reduced electrolyzer stack replacements, thereby lowering the overall cost of hydrogen.

08 HYDROGEN↗
DOE OSTI2020

Hydrogen Plant Hazards and Risk Analysis Supporting Hydrogen Plant Siting near Nuclear Power Plants. Final report

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 high temperature steam electrolysis hydrogen production facility (HTEF) in close proximity to an NPP. This analysis evaluates a postulated HTEF located 1 km from an NPP, including the likelihood of an accident 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 at a distance of 1 km. Furthermore, the minimum separation distance of the HTEF is calculated based on the target fragility criteria of 1 psi defined in Regulatory Guide 1.91.

08 HYDROGEN↗
DOE OSTI2020

Hydrogen Plant Hazards and Risk Analysis Supporting Hydrogen Plant Siting near Nuclear Power Plants (Final Report)

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 high temperature steam electrolysis hydrogen production facility (HTEF) in close proximity to an NPP. This analysis evaluates a postulated HTEF located 1 km from an NPP, including the likelihood of an accident 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 at a distance of 1 km. Furthermore, the minimum separation distance of the HTEF is calculated based on the target fragility criteria of 1 psi defined in Regulatory Guide 1.91.

08 HYDROGEN↗
DOE OSTI2021

Analyzing the Economic and Technical Potential of H2@Scale

H2@Scale is one of EERE's flagship initiatives to enable clean and affordable hydrogen production, storage, distribution, and utilization across multiple sectors in the economy. The January H2IQ hour will discuss results from a recent multi-laboratory analysis report quantifying the technical and economic potential of H2@Scale, given the use of hydrogen as an energy intermediate to integrate sectors in the U.S. energy system. Mark Ruth of the National Renewable Energy Laboratory, the lead author of the report, will discuss specific examples of the role hydrogen can play in industry and transportation sectors, such as steelmaking, synthetic fuels, and blending into natural gas pipelines. He will also explain how hydrogen production can be integrated with the electric grid to monetize low-cost energy and incentivize growth in renewable energy supply. The H2IQ Hour will dive into estimates for future hydrogen consumption in current and emerging sectors, given R&D advances and varying prices of natural gas and electricity.

39 EE - Hydrogen and Fuel Cell Technologies (EE-3F↗
DOE OSTI2025

Evaluation of a 5kW Solid Oxide Electrolysis Cell Stack

Solid oxide electrolysis cells (SOECs) are a developing technology for hydrogen production. They are promising due to their utilization of thermal energy to reduce their electricity consumption. The Department of Energy (DOE) has set goals to reduce the price per kilogram of hydrogen, and Idaho National Laboratory (INL) is conducting research to develop and demonstrate advanced methods and technologies to achieve making hydrogen a more affordable, efficient, and sustainable energy source. In this project, INL is collaborating with a vendor to evaluate and validate the design of a 5kW SOEC stack. The test aims to demonstrate a safe startup, operation, and shutdown on INL’s 5kW test stand, providing third-party validation in a different environment. A successful 50-hour test with stable hydrogen production will pave the way for a subsequent 1000-hour test. This project emphasized learning about electrolysis and the various support systems, referred to as balance of plant (BOP) equipment. These systems required modification while swapping to the vendor 5kW SOEC stack, most prominently the furnace door design and the controls system. It also included gaining skills in creating computer-aided design (CAD) drawings for the new door while using available materials and ensuring it met high-temperature requirements. Upon completion of modifications to the test stand, the SOEC will be test-fitted with respective wiring and piping. Instrumentation and piping will be checked for leaks and quality. This must be completed before the vendor’s engineers arrive to observe the test plan, startup, and a collection of 50 hours of data. The vendor’s engineers will ensure their stack performed sufficiently in the 50-hour test to enable the progression to a 1000-hour test.

08 - HYDROGEN↗
DOE OSTI2022

Assessment of lignite upgrade and hydrogen evolution via electrolysis

Lignite, considered as the lowest-rank coal, accounts for 45% of the total coal resources worldwide, and its low carbon and high ash contents limit its large-scale application. In order to upgrade lignite effectively, a modified coal electrolytic cell (MCEC) was designed, built, and then evaluated for lignite upgrade and hydrogen production through electrolysis, and the operating conditions were optimized. The results show that the performance of the MCEC outperformed the previous coal electrolytic cell (CEC). The operating temperature and iron concentration significantly impact the average current density per milligram of catalyst (ACDMC). The content of dry fixed carbon and heating value increased by 20.9% (wt%) and 8.15%, respectively, in electrolyzed lignite compared with raw lignite. Besides, 71.5% ash and 39.6% mercury were removed from raw lignite after electrolysis, which is the first report. The Faradaic efficiency (FE) for hydrogen evolution reached 99% using MCEC. In addition, the analysis of spectroscopy methods (SEM, EDX, FTIR, and XRD) revealed that the lignite particles were cracked; the oxygen-containing functional groups increased; the minerals of quartz and hematite formed on the surface of lignite particles after electrolysis. Furthermore, the facts indicate that electrolysis of lignite is a competitive approach for lignite upgrade and hydrogen production.

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

Mixed Ionic Electronic Conducting Quaternary Perovskites: Materials by Design for Solar Thermochemical Hydrogen

The innovative research conducted by Arizona State University and Princeton University in the project "Mixed Ionic-Electronic Conducting Quaternary Perovskites: Materials by Design for Solar Thermochemical Hydrogen" marks a significant stride forward in thermochemical water splitting. Through an intricate blend of computational design and experimental validation, the project delved into the promising potential of Mixed Ionic Electronic Conducting (MIEC) perovskites. These complex materials, characterized by their unique redox-active nature and adaptability in stoichiometry, present a promising frontier for efficient solar thermochemical hydrogen production. Firstly, the research enhanced the science by utilizing state-of-the-art computational methodologies to unravel the nuanced chemical potentials of MIEC perovskites. By simulating various off-stoichiometric scenarios and redox conditions, the team was able to predict material behaviors under diverse environmental conditions, a feat unachievable through conventional experimental methodologies alone. This approach not only fast-tracks the material screening process, significantly reducing the time from laboratory re-search to practical application, but also uncovers trends and correlations that are pivotal for future materials innovation. Regarding technical effectiveness, the project stands out in its economic feasibility. Traditional methods of materials discovery are often marred by high costs and extensive timeframes, owing to the iterative nature of experimental processes. However, by employing theoretical computations and validating these findings with targeted experiments, the project introduced a cost-effective paradigm for materials discovery and the first ever prediction, synthesis, and preliminary validation of a material solely from computational and theoretical considerations. This synergy between computation and experimentation expedites the discovery of optimal materials conducive to high-efficiency solar-to-hydrogen conversion processes. Furthermore, the public stands to benefit substantially from this research. The success of MIEC perovskites in solar thermochemical applications heralds a shift towards lower cost and lower electricity input for clean hydrogen production, hence potentially impacting climate and energy resilience. By improving the efficiency of solar-to-hydrogen conversions, the research paves the way for reduced dependency on fossil fuels, addressing the urgent global need for accessible and renewable energy sources. Moreover, the project's advancements contribute to scientific literacy in renewable energy technologies, empowering society through knowledge and spurring future innovations. In essence, this research project demonstrates significant progress in the realm of advanced water splitting through solar thermochemistry. Through its groundbreaking approaches in computational materials science and its implications for real-world applications, it holds the promise of a cleaner, more energy-resilient future.

08 HYDROGEN↗
DOE OSTI2023

HydroGEN Seedling: High-Temperature Reactor Catalyst Material Development for Low-Cost and Efficient Solar-Driven Sulfur-Based Processes

The HyS process, driven by solar power, has great potential to reach high-efficiency and low-cost hydrogen production without greenhouse gas emissions. The high-temperature section of the HyS cycle, which operates the catalytic decomposition of sulfuric acid into sulfur dioxide, oxygen, and water, is a fundamental part of the cycle affecting the overall plant efficiency and cost. Therefore, a high-performance catalyst (i.e., low cost, high catalytic activity, and low degradation catalyst) is of critical importance to achieve high efficiency and low hydrogen cost. Research and development has highlighted that a Pt-based monometallic catalyst had unacceptable catalytic activity and performance degradation for a high-efficiency and low-cost hydrogen production process. A high-efficiency solar receiver-reactor system, which incorporates the new catalyst, also needs to be developed to achieve the required plant efficiency and cost. Greenway Energy (GWE) and the University of South Carolina (USC), partnering with HydroGEN node laboratories Idaho National Laboratory (INL), Savannah River National Laboratory (SRNL), and National Renewable Energy Laboratory (NREL), propose the development of a new catalyst formulation, included in a novel solar receiver-reactor concept, to be tested experimentally in the last part of the project.

08 HYDROGEN↗
DOE OSTI2020

Understanding and Controlling the Performance-Limiting Steps of Catalyst-Modified Semiconductors

Understanding and controlling factors that restrict the rates of fuel-forming reactions are essential to designing effective catalyst-modified semiconductors for applications in solar-to-fuel technologies. Herein, we describe GaAs semiconductors featuring a polymeric coating that contains cobaloxime-type catalysts for photoelectrochemically powering hydrogen production. The activities of these electrodes (limiting current densities >20 mA cm –2 under 1-sun illumination) enable identification of fundamental performance-limiting bottlenecks encountered at relatively high rates of fuel formation. Experiments conducted under varying bias potential, pH, illumination intensity, and scan rate reveal two distinct mechanisms of photoelectrochemical hydrogen production. At relatively low polarization and pH, the limiting photoactivity is independent of illumination conditions and is attributed to a mechanism involving reduction of substrate protons. At relatively high polarization or pH, the limiting photoactivity shows a linear response to increasing photon flux and is attributed to a mechanism involving reduction of substrate water. Furthermore, this work illustrates the complex interplay between transport of photons, electrons, and chemical substrates in photoelectrosynthetic reactions and highlights diagnostic tools for better understanding these processes.

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

NMPC for Setpoint Tracking Operation of a Solid Oxide Electrolysis Cell System

Solid oxide electrolysis cells (SOECs) are a promising technology to generate hydrogen through water electrolysis. However, intermittent renewable energy requires SOECs to transition between hydrogen production setpoints as the price of electricity fluctuates. A well-functioning control system is important to avoid cell degradation during setpoint tracking operation. In this work, we apply nonlinear model predictive control (NMPC) to an SOEC module and supporting equipment and compare NMPC performance to classical PI control while ramping between hydrogen production setpoints. We find that these control methods provide similar performance in many metrics, but NMPC significantly reduces cell thermal gradients during the setpoint transition.

Allan, Douglas↗
DOE OSTI2025

Large-scale experimental validation of thermochemical water-splitting oxides discovered by defect graph neural networks

Thermochemical water-splitting (TCH) based on 2-step thermal redox cycles in metal oxides is a promising approach to generating H 2 , but state-of-the-art (SOTA) CeO 2 has several practical limitations, which has motivated continued materials discovery efforts in this field. Here, in this study, we improve upon a SOTA defect graph neural network (dGNN) surrogate model's oxygen vacancy predictions and combine them with materials project phase diagrams to down-select and discover structurally diverse, experimentally known metal oxides whose TCH performance was previously unknown. Amongst twelve candidates selected based on our high-throughput screening and down-selection criteria, we achieved ∼80% accuracy in identifying materials with stable redox cycling and hydrogen production in stagnation flow reactor water-splitting experiments. Closer to 100% accuracy can be achieved if higher-accuracy, hybrid DFT-predicted vacancy formation energies were computed and used in lieu of the most uncertain dGNN-based screening predictions, as they correct false positives to true negatives. Notably, two discovered candidates, Sr 3 PrMn 2 O 8 and Ba 2 Fe 2 O 5 , display hydrogen yields greater than CeO 2 under specific redox conditions. In conclusion, these results demonstrate our ability to computationally predict and experimentally validate promising candidate TCH materials that have the potential to compete with CeO 2 .

08 HYDROGEN↗
DOE OSTI2022

Predicting the formation of fractionally doped perovskite oxides by a function-confined machine learning method

Abstract Fractionally doped perovskites oxides (FDPOs) have demonstrated ubiquitous applications such as energy conversion, storage and harvesting, catalysis, sensor, superconductor, ferroelectric, piezoelectric, magnetic, and luminescence. Hence, an accurate, cost-effective, and easy-to-use methodology to discover new compositions is much needed. Here, we developed a function-confined machine learning methodology to discover new FDPOs with high prediction accuracy from limited experimental data. By focusing on a specific application, namely solar thermochemical hydrogen production, we collected 632 training data and defined 21 desirable features. Our gradient boosting classifier model achieved a high prediction accuracy of 95.4% and a high F1 score of 0.921. Furthermore, when verified on additional 36 experimental data from existing literature, the model showed a prediction accuracy of 94.4%. With the help of this machine learning approach, we identified and synthesized 11 new FDPO compositions, 7 of which are relevant for solar thermochemical hydrogen production. We believe this confined machine learning methodology can be used to discover, from limited data, FDPOs with other specific application purposes.

08 HYDROGEN↗
NASA NTRS1979

Physical models of Comet Halley based upon qualitative data from the 1910 apparition

A semi-empirical theory was developed, tying the hydrogen production rate of a comet to its visual light curve. Two unknown constants, which are essentially the efficiencies of these two processes, are derived from the comets for which quantitative data exist. This theory has been applied to P/Halley, using the light curve of Yeomans, which was derived from the original 1910 observations, with aperture corrections applied. Given the hydrogen production rate, it is assumed that N(H20) = 0.5 N(H) and that there is 0.2 N(H20) of other species. From several converging lines of evidence the mass of dust is taken as half the mass of gas. The Sekanina-Miller distribution function of particle size is used. Particle velocities are calculated using Delsemmes version of the Probstein theory. From these, near nucleus dust density, flux, etc. are calculated. Dust envelope sizes are calculated from the old mechanical theory of tails. Extreme models are calculated from the old mechanical theory of tails. Extreme models are also furnished based upon a "sum-of-negative-tolerance" approach.

Newburn, R. L.↗
DOE OSTI2023

Towards Automated Design of Polymer Precursors for Rational Design of Porous Carbon-Materials [Slides]

Overview: Developed capability enables easy building of realistic polymer structures and a straightforward evaluation of polymer properties using different computational approaches. Topics of relevance to LANL mission: fundamental understanding of gas, vapor, ion, and liquid transport in polymer materials with applications in carbon capture, clean energy, hydrogen production (e.g., fuel cells and electrolyzes); Toxic element removal; Design of polymer binders in explosives. Workforce Development: Project provided a valuable opportunity to for a PI to manage a LANL research effort, expand collaborations (e.g., MPA division), and establish research topic that aligns with the LANL mission; The capability built was highlighted in the proposal "Versatile Polyolefins-Based Ionomer Platform for Next Generation Polymer Electrolyte Membrane and Hydrogen Production" lead by InnoSense LLC in collaboration with MPA-1 and T-1 as a response to DOE's call DE-FOA-0003003: Science Foundations for Energy Earthshots.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Assessment of potential future hydrogen markets in the U.S.

Potential future hydrogen markets in the United States are assessed. Future hydrogen markets for various use sectors are projected, the probable range of hydrogen production costs from various alternatives is estimated, stimuli and barriers to the development of hydrogen markets are discussed, an overview of the status of technologies for the production and utilization of hydrogen is presented, and, finally, societal aspects of hydrogen production and utilization are discussed.

Kashani, A. K.↗
NASA NTRS1976

The Conceptual Design of an Integrated Nuclearhydrogen Production Plant Using the Sulfur Cycle Water Decomposition System

A hydrogen production plant was designed based on a hybrid electrolytic-thermochemical process for decomposing water. The sulfur cycle water decomposition system is driven by a very high temperature nuclear reactor that provides 1,283 K helium working gas. The plant is sized to approximately ten million standard cubic meters per day of electrolytically pure hydrogen and has an overall thermal efficiently of 45.2 percent. The economics of the plant were evaluated using ground rules which include a 1974 cost basis without escalation, financing structure and other economic factors. Taking into account capital, operation, maintenance and nuclear fuel cycle costs, the cost of product hydrogen was calculated at $5.96/std cu m for utility financing. These values are significantly lower than hydrogen costs from conventional water electrolysis plants and competitive with hydrogen from coal gasification plants.

Farbman, G. H.↗
DOE OSTI2021

Potential Early Markets for Fusion Energy

We examine potential early markets for fusion energy and their projected cost targets, based on analysis and synthesis of many relevant, recent studies and reports. Seeking to provide guidance to ambitious fusion developers aspiring to enable commercial deployment before 2040, we examine cost requirements for fusion-generated electricity, process heat, and hydrogen production based on today’s market prices but with various adjustments relating to possible scenarios in 2035, such as ‘‘business-as-usual,’’ high renewables penetration, and carbon pricing up to 100 $/tCO 2 . Key findings are that fusion developers should consider focusing initially on high-priced global electricity markets and consider including integrated thermal storage, depending on techno-economic factors, in order to maximize revenue and compete in markets with high renewables penetration. Process heat and hydrogen production will be tough early markets for fusion, but may open up to fusion as markets evolve and if fusion’s levelized cost of electricity falls below 50 $/MWh e . Finally, we discuss potential ways for a fusion plant to increase revenue via cogeneration (e.g., desalination, direct air capture, or district heating) and to lower capital costs (e.g., by minimizing construction times and interest or by retrofitting coal plants).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗