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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Getting Hydrogen to the Gigaton Scale

Due to its ability to perform clean, efficient processes, hydrogen has long been promoted as the energy carrier of the future, but recent activity and advances suggest a tipping point has been reached as hydrogen is now being recognized by much of the world for its unique capabilities to strongly support global efforts in achieving climate neutrality. The coming decades will require a massive increase in the amount of hydrogen used in the energy system as well as a transition from largely thermochemical to predominantly electrochemical processes involving hydrogen. For this to happen, hydrogen will need to globally approach the gigaton-scale on an annual basis. Thus, before hydrogen can fully achieve its potential, challenges that need to be addressed include achieving scale and further research and development (R&D) advances.

climate neutrality↗
DOE OSTI2022

Accelerated Discovery of Solar Thermochemical Hydrogen Production Materials via High-Throughput Computational and Experimental Methods

In this project, combinatorial synthesis and testing methods were combined with high-throughput materials theory calculations to greatly accelerate the discovery of thermodynamically suitable candidates for green hydrogen production via a two-stage solar thermochemical water splitting (STCH) process. Over the course of the project, more than 8000 quinary and higher oxide compositions were computationally screened for STCH viability, and detailed stability calculations were performed for more than 30 of the most promising identified compositional archetypes. As a result, three new STCH capable compositional families were discovered and experimentally verified. The first, Ce x Sr 2-x MnO 4 (CSM), represents the first known Ruddlesden-Popper compound to show STCH activity, and thus demonstrates that perovskite-related structures may hold promise for this application. The second family, Sr 1-x Ce x MnO 3 (SCM), is the simple perovskite sister-analog to CSM. Sr 0.7 Ce 0.3 MnO 3 (SCM30), a member of this compositional family, was found to produce the highest hydrogen yields of any compound tested in this project, exceeding the end of project milestone target of > 150 μmol H 2 /gram oxide at a reduction temperature of 1350 °C, although only at steam-to-hydrogen ratios greater than 1000:1. Finally, we proved that a third novel Sr-and Mn-containing family, Sr 1-x Ca x Ti 1-y Mn y O 3 (SCTM), which was identified by Materials Project tools, also splits water. The behavior of the SCTM system was found to be similar to the previously discovered Sr 1-x La x Al 1-y Mn y O 3 (SLMA) family, albeit with lower H 2 yields. Across the three thrusts of the project (computational, combinatorial, and bulk testing), five journal articles were published. As part of Program End Analysis and Data Dissemination, relevant data used for the publications was uploaded to the HydroGEN Data Hub for public access, and in certain cases, results were added to public materials databases.

08 HYDROGEN↗
DOE OSTI2024

Aqueous-phase product treatment and monetization options of wet waste hydrothermal liquefaction: Comprehensive techno-economic and life-cycle GHG emission assessment unveiling research opportunities

While wet waste hydrothermal liquefaction technology has a high biofuel yield, a significant amount of the carbon and nitrogen in the feedstock reports to the aqueous-phase product. Pretreatment of this stream before sending to a conventional wastewater plant is essential or at the very least, advisable. In this work, techno-economic and life-cycle assessments were conducted for the state-of-technology baseline and four aqueous-phase product treatment and monetization options based on experimental data. Further, these options can cut minimum fuel selling prices by up to 13 % and life-cycle greenhouse gas emissions by up to 39 % compared to the baseline. These findings highlight the substantial influence of aqueous produce treatment strategies on the entire wet waste hydrothermal liquefaction process, demonstrating the potential for optimizing economic viability and environmental impact through further research and development of milder treatment methods and diversified by-product valorization pathways.

09 BIOMASS FUELS↗
DOE OSTI2020

High temperature water electrolysis testing of gold-based electrodes for H 2 production

The Hybrid Sulfur (HyS) process is a promising thermochemical water-splitting cycle with global scale hydrogen production potential. The SO 2 -depolarized electrolyzer (SDE) is a critical component of the cycle. At the core of the SDE is the membrane-electrode assembly (MEA), which consists of a polymer electrolyte membrane (PEM) sandwiched between two electrocatalyst layers. New electrocatalyst and membrane materials are being developed with the goals of improving the electrolyzer performance and extending the lifetime of the MEA. In this work, we evaluated the performance of three different membranes and optimized operating conditions, resulting is one of the highest performances in the literature.

08 HYDROGEN↗
NASA NTRS1975

An analysis of hydrogen production via closed-cycle schemes

A thermodynamic analysis and state-of-the-art review of three basic schemes for production of hydrogen from water: electrolysis, thermal water-splitting, and multi-step thermochemical closed cycles is presented. Criteria for work-saving thermochemical closed-cycle processes are established, and several schemes are reviewed in light of such criteria. An economic analysis is also presented in the context of energy costs.

Chao, R. E.↗
NASA NTRS1975

Hydrogen production

The state of hydrogen production technology is evaluated. Specific areas discussed include: hydrogen production fossil fuels; coal gasification processes; electrolysis of water; thermochemical production of hydrogen; production of hydrogen by solar energy; and biological production of hydrogen. Supply options are considered along with costs of hydrogen production.

England, C.↗
NASA NTRS1976

A thermochemical data bank for cycle analysis

The use of a computer program PAC-2 to produce a thermodynamic data bank for various materials used in water splitting cycles is described. The sources of raw data and a listing of 439 materials for which data are available are presented. The use of the data bank in conjunction with two other programs, CEC-72 and HYDRGN, is also discussed. The integration of these three programs implement an evaluation procedure for thermochemical water splitting cycles. CEC-72 is a program used to predict the equilibrium composition of the various chemical reactions in the cycle. HYDRGN is a program which is used to calculate changes in thermodynamic properties, work of separation, amount of recycle, internal heat regeneration, total thermal energy, and process thermal efficiency for a thermochemical cycle.

Carty, R. H.↗
NASA NTRS1976

A thermochemical data bank for cycle analysis

The use of the computer program PAC-2 to produce a thermodynamic data bank for various materials used in water-splitting cycles is described. The sources of raw data and a listing of 439 materials for which data are presently available are presented. This paper also discusses the use of the data bank in conjunction with two other programs, CEC-72 and HYDRGN. The integration of these three programs implement an evaluation procedure for thermochemical water splitting cycles. CEC-72 is a program used to predict the equilibrium composition of the various chemical reactions in the cycle. HYDRGN is a program which is used to calculate changes in thermodynamic properties, work of separation, amount of recycle, internal heat regeneration, total thermal energy and process thermal efficiency for a thermochemical cycle.

Carty, R.↗
NASA NTRS1989

Process modeling for carbon-phenolic nozzle materials

A thermochemical model based on the SINDA heat transfer program is developed for carbon-phenolic nozzle material processes. The model can be used to optimize cure cycles and to predict material properties based on the types of materials and the process by which these materials are used to make nozzle components. Chemical kinetic constants for Fiberite MX4926 were determined so that optimization of cure cycles for the current Space Shuttle Solid Rocket Motor nozzle rings can be determined.

Letson, Mischell A.↗
NASA NTRS2003

Residual Gas in Closed Systems: Formation of Gases from the Source Materials - 2

The amount and composition of residual gases formed in sealed ampoules loaded with different elements or binary II-VI or IV-VI compounds were investigated. The source materials underwent different thermal processings, annealing and/or resublimation conducted under different conditions. The results of these experiments are discussed in terms of the procedural, thermochemical, and kinetic limitations to the process.

Palosz, W.↗
NASA NTRS2003

Residual Gas in Closed Systems: Formation of Gases from the Source Materials - 2

The amount and composition of residual gases formed in sealed ampoules loaded with different elements or binary II-VI or IV-VI compounds and subjected to various thermal processings, annealing and/or resublimation conducted under different conditions were investigated. The results of these experiments are discussed in terms of the procedural, thermochemical, and kinetic limitations to the process.

Palosz, W.↗
DOE OSTI2022

Thermochemical Conversion of Plastic Waste into Fuels, Chemicals, and Value-Added Materials: A Critical Review and Outlooks

Plastic waste is an emerging environmental issue for our society. Critical action to tackle this problem is to upcycle plastic waste as valuable feedstock. Thermochemical conversion of plastic waste has received growing attention. Although thermochemical conversion is promising for handling mixed plastic waste, it typically occurs at high temperatures (300–800 °C). Catalysts can play a critical role in improving the energy efficiency of thermochemical conversion, promoting targeted reactions, and improving product selectivity. Here this Review aims to summarize the state-of-the-art of catalytic thermochemical conversions of various types of plastic waste. First, general trends and recent development of catalytic thermochemical conversions including pyrolysis, gasification, hydrothermal processes, and chemolysis of plastic waste into fuels, chemicals, and value-added materials were reviewed. Second, the status quo for the commercial implementation of thermochemical conversion of plastic waste was summarized. Finally, the current challenges and future perspectives of catalytic thermochemical conversion of plastic waste including the design of sustainable and robust catalysts were discussed.

chemolysis↗
DOE OSTI2023

Defect graph neural networks for materials discovery in high-temperature clean-energy applications

We present a graph neural network approach that fully automates the prediction of defect formation enthalpies for any crystallographic site from the ideal crystal structure, without the need to create defected atomic structure models as input. Here we used density functional theory reference data for vacancy defects in oxides, to train a defect graph neural network (dGNN) model that replaces the density functional theory supercell relaxations otherwise required for each symmetrically unique crystal site. Interfaced with thermodynamic calculations of reduction entropies and associated free energies, the dGNN model is applied to the screening of oxides in the Materials Project database, connecting the zero-kelvin defect enthalpies to high-temperature process conditions relevant for solar thermochemical hydrogen production and other energy applications. The dGNN approach is applicable to arbitrary structures with an accuracy limited principally by the amount and diversity of the training data, and it is generalizable to other defect types and advanced graph convolution architectures. In conclusion, it will help to tackle future materials discovery problems in clean energy and beyond.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1985

Thermal barrier coating life-prediction model development

Life predictions are made for two types of strain-tolerant and oxidation-resistant Thermal Barrier Coating (TBC) systems produced by commercial coating suppliers to the gas turbine industry. The plasma-sprayed TBC system, composed of a low-pressure plasma spray (LPPS) applied oxidation-resistant NiCrAlY bond coating and an air-plasma-sprayed yttria (8 percent) partially stabilized zirconia insulative layer, is applied by both Chromalloy and Klock. The second type of TBC is applied by the electron-beam/physical vapor deposition process by Temescal. Thermomechanical and thermochemical testing of the program TBCs is in progress. A number of the former tests has been completed. Fracture mechanics data for the Chromalloy plasma-sprayed TBC system indicate that the cohesive toughness of the zirconia layer is increased by thermal cycling and reduced by high temperature exposure at 1150 C. Eddy current technology feasibility has been established with respect to nondestructively measuring zirconia layer thickness of a TBC system. High pressure turbine blades have been coated with program TBC systems for a piggyback test in a TFE731-5 turbofan factory engine test. Data from this test will be used to validate the TBC life models.

Strangman, T. E.↗
DOE OSTI2021

Roundtable on Foundational Science for Carbon-Neutral Hydrogen Technologies (Technology Status Document)

This document summarizes the status of carbon-neutral hydrogen production, storage and transport, and utilization. The state of the art in the implementation, limitations, and challenges of these technologies are summarized. Sources of hydrogen are broadly categorized as hydrcoarbons or water and the processes used to convert these sources to hydrogen as catalytic, thermochemical, or electrochemical. Catalytic steam methane reforming of methane is the dominant process today. Other processes have smaller production volumes and the technology is less mature, but are being deployed at increasing rates, most notably water electrolyzers for hydrogen fueling stations. Efficient transport and storage of hydrogen is one of the major challenges facing a hydrogen-based energy economy. This arises in part from its low volumetric energy density necessitating very high pressures or cryogenic temperatures to store sufficient amounts for practical applications. High-pressure compressed hydrogen cylinders are the incumbent hydrogen storage technology for applications such as light-duty fuel cell electric vehicles, for example. The storage of hydrogen in materials or in chemicals is being pursued to address the issues associated with compression, such as parasitic energy loss and weight, size, and cost of storage containers. The complex nature of the chemical and physical processes involved in the uptake, storage, and release of hydrogen has slowed the discovery of suitable hydrogen storage materials. Both small and large-scale storage face the challenge of embrittlement of the storage media by hydrogen. There is a myriad of uses of hydrogen offering the promises of improving the efficiency of various applications and reducing or eliminating CO 2 emissions. These range from direct electrochemical conversion to electricity to power vehicles and grid-level stationary applications to combustion to production of chemicals and commodities. One of the most impactful applications in terms of reduction of CO 2 emissions is fuel cell passenger vehicles and heavy-duty vehicles such as class 8 trucks. The challenges facing widespread deployment of fuel cells, beyond the major hurdle of the lack of a hydrogen distribution infrastructure, are cost and durability, primarily related to the precious metal cathode catalyst and its durability. The other uses of hydrogen from conversion to hydrocarbons, polymer upcycling, and upgrading of bio-oils are at varying stages of maturity and also face fundamental challenges associated with catalytic processes and materials.

08 HYDROGEN↗
DOE OSTI2022

Manufacturing Supply Chain Development for Modular Solar-Thermochemical Conversion Platform - CRADA 387 (Final Report)

Modular chemical process intensification (MCPI) is an emerging field where chemical processing is performed using small-scale modular equipment instead of conventional large centralized chemical plants. Conventional chemical plants benefit from economies of scale that encourage scale-up to ever larger plants. A goal of MCPI is to develop technology that intensifies processing so that equipment can be dramatically smaller and integrated into modular systems. Scale-up occurs by adding more modules in parallel rather than making the equipment larger. A key concept is that equipment and modules can ultimately be cheaper by leveraging economies of mass production, analogous to the automotive industry, in manufacturing the equipment. This project made significant progress toward this outcome by meeting the RAPID institute metric to reduce equipment cost by 20% for each doubling in manufacturing volume. The MCPI application was thermochemical technology that is being commercialized by STARS Technology Corporation, one of the CRADA partners. The technology converts solar and renewable power to chemical energy to produce renewable hydrogen, fuels, and chemicals. The benefit to the public is reduction in greenhouse gases that are contributing to climate change. The project transitioned the steam methane reforming (SMR) reactor from conventional fabrication methods to additive manufacturing (AM) direct metal laser sintering (DMLS) process. This is projected to reduce the cost of making a reactor by 58% when producing 100 reactors per year. Innovations in the DMLS process produced a patented design that reduces reactor weight by 60%. Reductions in material costs and processing time extend the DMLS advantage to higher production volumes. The new design promises to be 38% cheaper than the conventional processes at 1000 units per year. The resulting 87% reduction in the steam methane reforming (SMR) module cost in scaling from current costs meets the RAPID metric. The project was successful in producing and testing the first ever additively manufactured SMR reactors. A reactor achieved over 82% efficiency in converting electric power to chemical energy, which is a world record for an inductively heated SMR. The project has contributed to the design and assembly of a first demonstration plant that is headed to a hydrogen bus filling station in Thousand Palms, CA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Advances in imaging of chemically reacting flows

Many important chemically reacting systems are inherently multi-dimensional with spatial and temporal variations in the thermochemical state, which can be strongly coupled to interactions with transport processes. Fundamental insights into these systems require multi-dimensional measurements of the thermochemical state as well as fluid dynamics quantities. Laser-based imaging diagnostics provide spatially and temporally resolved measurements that help address this need. The state of the art in imaging diagnostics is continually progressing with the goal of attaining simultaneous multi-parameter measurements that capture transient processes, particularly those that lead to stochastic events, such as localized extinction in turbulent combustion. Development efforts in imaging diagnostics benefit from advances in laser and detector technology. This article provides a perspective on the progression of increasing dimensionality of laser-based imaging diagnostics and highlights the evolution from single-point measurements to 1D and 2D multi-parameter imaging and 3D high-speed imaging. This evolution is demonstrated using highlights of laser-based imaging techniques in combustion science research as an exemplar of a complex multi-dimensional chemically reacting system with chemistry–transport coupling. Imaging diagnostics impact basic research in other chemically reacting systems as well, such as measurements of near-surface gases in heterogeneous catalysis. The expanding dimensionality of imaging diagnostics leads to larger and more complex datasets that require increasingly demanding approaches to data analysis and provide opportunities for increased collaboration between experimental and computational researchers in tackling these challenges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Analysis of Emission Spectra from Arc-jet Shock Layer Flows

This paper reports computational comparisons with experimental studies of a nonequilibrium blunt body shock layer in a high enthalpy arc-jet wind tunnel at NASA Ames Research Center. The primary objective of this work is to investigate the existence of a thermochemical equilibrium region in the shock layer. The existence of such an equilibrium region is of interest for following reasons: (1) to understand the equilibration process behind the shock in an arc-jet flow environment; (2) to interpret measured surface heat transfer data for purpose of determining surface catalytic efficiency, and (3) to determine the total enthalpy from the spectroscopic measurements. The paper will present an analysis of the experimental data obtained in the arc-jet wind tunnel. Experimental data includes measurements of emission spectra of radiation emanating from a shock layer formed in front of a 6-inch flat-faced cylinder. The measurements, obtained using a two dimensional CCD camera mounted on a spectrograph, provide spatially resolved spectra along the stagnation streamline of the model. Computational analysis includes simulation of nonequilibrium flow in the arc-jet facility (flow in the conical nozzle and shock layer in front of a flat-faced cylinder) using 2-D/axisymmetric Navier-Stokes codes and prediction of the radiation spectra from the axisymmetric flowfield using NEQAIR radiation code. Various line-of-sight averaged flow properties such as vibrational and rotational temperatures, species number densities within the shock layer are deduced from the experimental spectra. Comparison of the computed and experimental line-of-sight averaged flow properties provides assessment of thermochemical equilibration processes in an arc-jet shock layer.

Gokcen, T.↗