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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Functional Fault Modeling of a Cryogenic System for Real-Time Fault Detection and Isolation

The purpose of this paper is to present the model development process used to create a Functional Fault Model (FFM) of a liquid hydrogen (L H2) system that will be used for realtime fault isolation in a Fault Detection, Isolation and Recover (FDIR) system. The paper explains th e steps in the model development process and the data products required at each step, including examples of how the steps were performed fo r the LH2 system. It also shows the relationship between the FDIR req uirements and steps in the model development process. The paper concl udes with a description of a demonstration of the LH2 model developed using the process and future steps for integrating the model in a live operational environment.

Ferrell, Bob↗
NASA NTRS2009

Moisture-Induced Alumina Scale Spallation: The Hydrogen Factor

For some time our community has been concerned with interfacial spallation of protective alumina scales, not just upon immediate cooldown, but as a time-delayed phenomenon. Moisture-induced delayed spallation (MIDS) and desktop spallation (DTS) of TBC's refer to this process. It is most apparent for relatively adherent alumina scales that have survived cool down in a dry environment, built up considerable thickness and strain energy, and have been somewhat damaged, such as by cyclic oxidation cracking. Indeed, a "sweet zone" can be defined that maximizes the observed effect as a function of all the relevant factors. Moisture has been postulated to serve as a source of interfacial hydrogen embrittlement derived from reaction with aluminum in the alloy at an exposed interface. The purpose of this monograph is to trace the close analogy of this phenomenon to other hydrogen effects, such as embrittlement of aluminides and blistering of alloys and anodic alumina films. A formalized, top-down, logic tree structure is presented as a guide to this discussion. A theoretical basis for interfacial weakening by hydrogen is first cited, as are demonstrations of hydrogen as a reaction product or detected interfacial species. Further support is provided by critical experiments that produce the same moisture effect, but by isolating hydrogen from other potential causative factors. These experiments include tests in H2-containing atmospheres or cathodic hydrogen charging.

Smialek, James L.↗
DOE OSTI2020

Radiolysis and radionuclide production in a flowing-water target during fast 40 Ca 20+ irradiation

Here, a flowing-water target was irradiated with a 140 MeV/u, 8 nA 40Ca20+ beam to test the feasibility of isotope harvesting at the upcoming Facility for Rare Isotope Beams. Among other radionuclides, 2.6(2)E-6 48Cr and 5.6(5)E-6 28 Mg nuclei were formed for every impingent 40Ca and were collected through ion exchange. Radiolysis-induced molecular hydrogen evolved from the target at an initial rate of 0.91(9) H2 molecules per 100 eV of beam energy deposited. No radiation-accelerated corrosion of the target material was determined.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Development of a Techno-Economic Analysis Framework for a Solar Thermochemical Fuel Production Process

Synthetic liquid fuels can provide a drop-in substitute for fossil-based fuels in sectors such as aviation and maritime, where electrification is not a viable option due to the need for high specific energy density. However, for these alternative fuels to be adopted at a commercial scale, their price must be competitive compared to their fossil-based counterparts. The reverse water-gas shift (RWGS) reaction offers a promising pathway, using hydrogen (sourced from electrolysis) and carbon dioxide as the feed and reacting to produce syngas - a mixture of H2 and CO at a specific ratio. Syngas is a useful precursor that can be converted into fuels and chemicals via known downstream processes, such as liquid transportation fuels via Fischer-Tropsch (FT) synthesis. The RWGS reaction is currently not applied in commercial scale, unlike the rest of the components in the process chain (electrolyzers and syngas-to-fuel synthesis units). The RWGS reaction poses several challenges due to its restrictive thermodynamics. Being an equimolar reaction, high temperatures and a large excess of H2 are needed to achieve reasonable CO2 conversion at equilibrium. This has detrimental effects on practical process implementation and the quality of syngas that can be produced, with direct effect on the energy and capital requirements, as well as the need for expensive downstream separation. In this work, we are proposing to develop a new concentrating solar thermal (CST) compatible RWGS reactor, performing the reaction in a 2-step chemical looping process using metal oxide at a temperature range of 600-800 degrees Celsius. By decoupling the reactor from the solar receiver, the Generation 3 (Gen3) CST technology could be utilized, together with its proposed thermal energy storage (TES) technology, benefitting from a good match to the required temperatures. CST technology is a viable option for supplying the heat that could be rapidly deployed in scale, thus being a good match to the gas-to-liquid (GTL) process which requires a large minimal scale to be commercially viable. The integration of TES with CST also allows operating the plant at large annual capacity factors and avoids multiple shutdown/startup cycles, thus fitting into the steady-state operation mode that most GTL processes require. The main innovation in the proposed design hinges on a countercurrent reaction design using a packed bed reactor. In 2019 Metcalfe et al. showed the benefits of countercurrent species exchange could be realized in a redox chemical-looping processes, by storing the favorable countercurrent chemical potential profiles in a packed bed of non-stoichiometric oxide. Metcalfe et al. applied this breakthrough concept to the WGS reaction, which is conventionally a co-feed catalytic process, showing a dramatic improvement. Bulfin et al. (2023) performed a similar proof-of-concept demonstration for the RWGS reaction using CeO2, achieving cumulative and peak CO2 conversions of 88% and 95%, respectively, compared to a thermodynamic limit of 58% for the co-feed catalytic process at the same conditions. In our new REGENLOOP project, we are developing a reactor prototype from the heat-exchange packed bed reactor-type, a commonly used reactor in the chemical industry. The endothermic heat of reduction will be supplied to the reactor using CST, while the same heat transfer fluid (HTF) mechanism will be used to extract the exothermic heat of oxidation. An array of multiple reactors is used to supply constant high-purity CO stream, that is then mixed with H2 from electrolysis to produce a high-purity syngas at the required composition. By removing the CO-CO2 separation after the RWGS process, significant energy and cost reduction can be achieved. A physics-based TEA framework is currently being developed, covering all the major plant processes, from the solar collection through storage, chemical looping RWGS, GTL, and auxiliary unit operations, up to the liquid hydrocarbon product. This modeling framework will utilize reduced-order models for the chemical looping RWGS and TES, CST modeling using SolarPILOT, and Aspen Plus for the GTL. By using this combined physics-based approach, the effects of design/operating parameters on the performance and cost can be elucidated. In our presentation, the modeling framework will be presented in detail, including preliminary cost predictions of using this plant configuration under a few selected relevant case studies. This study will be used to identify the major cost drivers, informing further system design and optimization needed to chart the way for a commercially viable pathway.

14 SOLAR ENERGY↗
NASA NTRS2007

Modeling of Radiative Transfer in Protostellar Disks

This program implements a spectral line, radiative transfer tool for interpreting Spitzer Space Telescope observations by matching them with models of protostellar disks for improved understanding of planet and star formation. The Spitzer Space Telescope detects gas phase molecules in the infrared spectra of protostellar disks, with spectral lines carrying information on the chemical composition of the material from which planets form. Input to the software includes chemical models developed at JPL. The products are synthetic images and spectra for comparison with Spitzer measurements. Radiative transfer in a protostellar disk is primarily affected by absorption and emission processes in the dust and in molecular gases such as H2, CO, and HCO. The magnitude of the optical absorption and emission is determined by the population of the electronic, vibrational, and rotational energy levels. The population of the molecular level is in turn determined by the intensity of the radiation field. Therefore, the intensity of the radiation field and the population of the molecular levels are inter-dependent quantities. To meet the computational challenges of solving for the coupled radiation field and electronic level populations in disks having wide ranges of optical depths and spatial scales, the tool runs in parallel on the JPL Dell Cluster supercomputer with C++ and Fortran compiler with a Message Passing Interface. Because this software has been developed on a distributed computing platform, the modeling of systems previously beyond the reach of available computational resources is possible.

VonAllmen, Paul↗
NASA NTRS1977

Semiclassical dynamics on multiple electronic surfaces - Three-dimensional treatment of reactive F + H2

The role of electron transitions in collisions is studied for the F + H2 reaction by combining quasi-classical Monte Carlo trajectories with a semiclassical decoupling approximation for the electron transitions. Attention is directed at the reaction of excited state F atoms reacting to form ground state products; the reactants are initiated in either of two spin-orbit states of the atom with the diatom in the ground vibrational state and the lowest four rotational states, at relative translational energies of 0.1, 0.2 and 0.3 eV. Even if the reactants are initiated on the excited state surface, the reactive cross sections (which are classically forbidden) are significant. The major dynamical effects of the excited state reaction are the flow of reactant electronic energy into product internal energy.

Komornicki, A.↗
NASA NTRS1979

F + H2 collisions on two electronic potential energy surfaces - Quantum-mechanical study of the collinear reaction

Collinear quantum calculations are carried out for reactive F + H2 collisions on two electronic potential energy surfaces. The resulting transmission and reflection probabilities exhibit much greater variation with energy than single-surface studies would lead us to anticipate. Transmission to low-lying product channels is increased by orders of magnitude by the presence of the second surface; however, branching ratios among product states are found to be independent of the initial electronic state of the reactants. These apparently contradictory aspects of the calculation are discussed and a tentative explanation put forward to resolve them.

Zimmerman, I. H.↗
NASA NTRS1984

Carbon and energy yields in prebiotic syntheses using atmospheres containing CH4, CO and CO2

Yields based on carbon are usually reported in prebiotic experiments, while energy yields (moles/cal) are more useful in estimating the yields of products that would have been obtained from the primitive atmosphere of the earth. Energy yields for the synthesis of HCN and H2CO from a spark discharge were determined for various mixtures of CH4, CO, CO2, H2, H2O, N2 an NH3. The maximum yields of HCN and H2CO from CH4, CO, and CO2 as carbon sources are about 4 x 10 to the -8th moles/cal.

Miller, S. L.↗
DOE OSTI2023

Clean Hydrogen: Energy Carrier, Renewables Enabler, and Sector Coupler to Accelerate the Energy Transition and Meet Climate Goals

Comprehensive, concerted efforts supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office (HFTO) are advancing research and development to demonstrate clean hydrogen production and industrial decarbonization pathways. These pathways enable an economically competitive and environmentally beneficial future energy system across sectors and can address specific applications that are difficult to decarbonize. Initiatives include the Hydrogen Energy Earthshot, H2@Scale, National Clean Hydrogen Strategy and Roadmap, H2NEW: Hydrogen from Next-generation Electrolyzers of Water Consortium, HydroGEN: Advanced Water Splitting Materials Consortium, BioH2 Consortium, HyMARC Hydrogen Materials Advanced Research Consortium, and M2FCT: Million Mile Fuel Cell Truck Consortium.

clean hydrogen↗
DOE OSTI2025

Revolutionizing Methane Transformation with the Dual Production of Aromatics and Electricity in a Protonic Ceramic Electrocatalytic Membrane Reactor

Reducing the energy and carbon intensity of the conventional chemical processing industry can be achieved by electrochemically transforming natural gases into higher-value chemicals with higher efficiency and near-zero emissions. In this work, the direct conversion of methane to aromatics and electricity has been achieved in a protonic ceramic electrocatalytic membrane reactor through the integration of a proton-conducting membrane assembly and a trimetallic Pt–Cu/Mo/ZSM-5 catalyst for the nonoxidative methane dehydro-aromatization reaction. In this integrated system, a remarkable 15.6% single-pass methane conversion with an 11.4% benzene yield has been demonstrated, while a peak power density of 276 mW cm –2 is obtained at 700 °C. The enhanced 15.7% increase in conversion and 16.0% improvement in the yield are observed when compared with the thermochemical process, which is attributed to the shift of reaction equilibrium by the removal of hydrogen through the protonic membrane. Concurrently, the faster H2 removal at a higher electrical current gave rise to a higher methane conversion and benzene yield. Furthermore, the catalyst can be efficiently regenerated by eliminating carbon deposition. A stable cell potential is maintained for 45 h under a constant current load of 0.13 A cm –2 . Lastly, the dual production of aromatics and electricity in the electrocatalytic membrane reactor has been demonstrated to be an attractive approach for decarbonizing chemical processing.

aromatic compounds↗
DOE OSTI2026

Hydrogen Dispersion Modeling for Development of Smart Distributed Monitoring

Studying hydrogen dispersion is crucial for ensuring the safe and effective deployment of hydrogen as an energy carrier. This study presents a comprehensive CFD modeling framework for simulating hydrogen dispersion at a real-world hydrogen production, storage, and utilization facility. Utilizing the Hydrogen Research Facility under the Advanced Research on Integrated Energy Systems (ARIES) at the National Renewable Energy Laboratory's (NREL) Flatirons campus, controlled hydrogen releases at 27 kg-H2/hr were simulated. The model incorporated site-specific atmospheric conditions, including hourly wind speeds and temperatures recorded between 8 AM and 8 PM from October to December 2023. To reduce computational demands, a statistical reduction technique was applied to condense the dataset to 100 representative scenarios, validated by statistical tests for wind speeds and power law coefficients. Simulations were conducted using the Reynolds-Averaged Navier-Stokes equations. Results demonstrated that wind speed substantially influences hydrogen dispersion, with low wind conditions forming concentrated clouds and higher wind speeds stretching the plume. Additionally, clustering analysis informed optimal sensor placement at various elevations with up to 10 sensor locations on each elevation. This framework offers a robust approach for understanding hydrogen behavior in ambient conditions and informing detection strategies.

08 HYDROGEN↗
NASA NTRS1981

Rates of fixation by lightning of carbon and nitrogen in possible primitive atmospheres

A thermochemical-hydrodynamic model of the production of trace species by electrical discharges has been used to estimate the rates of fixation of C and N by lightning in the primitive atmosphere. Calculations for various possible mixtures of CH4, CO2, CO, N2, H2, and H2O reveal that the prime species produced were probably HCN and NO and that the key parameter determining the rates of fixation was the ratio of C atoms to O atoms in the atmosphere. Atmospheres with C more abundant than O have large HCN fixation rates, in excess of 10 to the 17th molecules/J, but small NO yields. However, when O is more abundant than C, the NO fixation rate approaches 10 to the 17th molecules/J while the HCN yield is small. The implications for the evolution of life are discussed.

Chameides, W. L.↗
NASA NTRS1988

Structural isomers of C2N(+) - A selected-ion flow tube study

Reactivities of the structural isomers CCN(+) and CNC(+) were examined in a selected-ion flow tube at 300 + or - 5 K. The less reactive CNC(+) isomer was identified as the product of the reactions of C(+) + HCN and C(+) + C2N2; in these reactions only CNC(+) can be produced because of energy constraints. Rate coefficients and branching ratios are reported for the reactions of each isomer with H2, CH4, NH3, H2O, C2H2, HCN, N2, O2, N2O, and CO2. Ab initio calculations are presented for CCN(+) and CNC(+); a saddle point for the reaction CCN(+) yielding CNC(+) is calculated to be 195 kJ/mol above CNC(+). The results provide evidence that the more reactive CCN(+) isomer is unlikely to be present in measurable densities in interstellar clouds.

Knight, J. S.↗
NASA NTRS1998

Hydrogen consumption by methanogens on the early Earth

It is possible that the first autotroph used chemical energy rather than light. This could have been the main source of primary production after the initial inventory of abiotic organic material had been depleted. The electron acceptor most readily available for use by this first chemoautotroph would have been CO2. The most abundant electron donor may have been H2 that would have been outgassing from volcanoes at a rate estimated to be as large as 10(12) moles yr-1, as well as from photo-oxidation of Fe+2. We report here that certain methanogens will consume H2 down to partial pressures as low as 4 Pa (4 x 10(-5) atm) with CO2 as the sole carbon source at a rate of 0.7 ng H2 min-1 microgram-1 cell protein. The lower limit of pH2 for growth of methanogens can be understood on the basis that the pH2 needs to be high enough for one ATP to be synthesized per CO2 reduced. The pH2 values needed for growth measured here are consistent with those measured by Stevens and McKinley for growth of methanogens in deep basalt aquifers. H2-consuming autotrophs are likely to have had a profound effect on the chemistry of the early atmosphere and to have been a dominant sink for H2 on the early Earth after life began rather than escape from the Earth's atmosphere to space.

Non-NASA Center↗
DOE OSTI2020

Electrolyte-Assisted Hydrogen Cycling in Lithium and Sodium Alanates at Low Pressures and Temperatures

An investigation of electrolyte-assisted hydrogen storage reactions in complex aluminum hydrides (LiAlH4 and NaAlH4) reveals significantly reduced reaction times for hydrogen desorption and uptake in the presence of an electrolyte. LiAlH4 evolves ~7.8 wt% H2 over ~3 h in the presence of a Li-KBH4 eutectic at 130 °C compared to ~25 h for the same material without the electrolyte. Similarly, NaAlH4 exhibits 4.8 wt% H2 evolution over ~4 h in the presence of a diglyme electrolyte at 150 °C compared to 4.4 wt% in ~15 h for the same material without the electrolyte. These reduced reaction times are composed of two effects, an increase in reaction rates and a change in the reaction kinetics. While typical solid state dehydrogenation reactions exhibit kinetics with rates that continuously decrease with the extent of reaction, we find that the addition of an electrolyte results in rates that are relatively constant over the full desorption window. Fitting the kinetics to an Avrami-Erofe’ev model supports these observations. The desorption rate coefficients increase in the presence of an electrolyte, suggesting an increase in the velocities of the reactant-product interfaces. In addition, including an electrolyte increases the growth parameters, primarily for the second desorption steps, resulting in the observed relatively constant reaction rates. Similar effects occur upon hydrogen uptake in NaH/Al where the presence of an electrolyte enables hydrogenation under more practical low temperature (75 °C) and pressure (50 bar H2) conditions.

25 ENERGY STORAGE↗
NASA NTRS2018

In-space Biomanufacturing Using CO2 with Methylobacterium Extorquens

Long duration missions to deep space will require new approaches for supplying astronauts. In-space microbial manufacturing could generate many important compounds (such as nutrients, pharmaceuticals and fuels) but there are significant barriers to deploying reliable bioproduction platforms to space. These include ensuring adequate production and proper purification of the desired product, especially in the unique radiation and microgravity environment. Here we are focused on developing methods and technologies to feed microbial factories using the resources available in space. CO2, found in abundance in spacecraft cabins and the Mars atmosphere, can be sequestered and converted into bioproducts. While autotrophic organisms can use CO2 directly, they are generally slow growing and have less-developed biotechnology toolkits. Therefore we are developing an alternative paradigm in which CO2 is first reduced to more energetic carbon compounds that can support more rapid growth of workhorse biotechnology platforms (E. coli, S. cerevisiae, P. pastoris).Various technologies exist or are being developed to convert CO2. For example, the Sabatier system currently installed on the ISS, reacts CO2 and H2 to generate CH4 and H2O. This methane could be consumed by engineered methanotrophic bacteria. Alternatively, electrochemical systems can convert CO2 into formate (CHO2) which could be consumed by formatotrophic bacteria. In either case, synthetic biology techniques allow these microbes to serve as reprogrammable biofactories capable of producing a vast number or products.

Synthetic biology; Formate metabolism↗
DOE OSTI2020

Intensified Co-electrolysis Process for Syngas Production from Captured CO 2

CO 2 reduction to syngas provides a way of ameliorating carbon footprint and storing energy in high-energy-density and versatile feedstock. This current work explores the isothermal integration of CO2 capture with an intensified unit operation for the reduction of CO2 and capture media regeneration. Intensified captured CO2 co-electrolysis (ICC) to syngas (H2:CO ratio of 2) with low CO2 content (<10%) was demonstrated with over 70% CO2 conversion at a current density up to 0.20 A/cm2 for 14 hours of operation. Integration of the co-electrolysis unit with CO2 capture was performed feeding pure and diluted CO2, for which CO2 conversions >65% were observed. Performance of the capture unit becomes critical to maintain syngas ratios (SR). Technology feasibility was assessed through comparative techno-economic and life cycle analysis showing that process intensification enables competitive performance, even at the higher energy consumption featured at the current state of the technology. This because several unit operations can be avoided. LCA also showed that based on the current US electricity mix the reduction of life cycle CO2 emissions is possible at scenarios observed with 0.15 A/cm2 to accomplish a carbon-negative technology.

08 HYDROGEN↗