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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS2026

Thermochemical Stability of Ca2Yb8(SiO4)6O2 Apatite in Presence of Molten Calcium-Magnesium-Aluminosilicate (CMAS)

Thermochemical stability of ytterbium silicon oxyapatite Ca 2 Yb 8 (SiO 4 ) 6 O 2 (CYbS) in the presence of molten calcium-magnesium aluminosilicate (CMAS) has been investigated at elevated temperatures for consideration as a thermal and environmental barrier coating (T/EBC) material. CYbS apatite powder was synthesized from the constituent oxides via a solid-state reaction method. Hot-pressed apatite substrates were exposed to molten CMAS at 1200, 1300, and 1400 °C for 1, 10, and 50 h. Development of phases in the interaction region of the heat-treated specimens was monitored using scanning electron microscopy, transmission electron microscopy, high-angle annular dark-field imaging, selected area electron diffraction, and energy dispersive x-ray spectroscopy. Monoclinic cyclosilicate Ca 3 Yb 2 (Si 3 O 9 ) 2 formed from interaction of CYbS apatite with CaO in the CMAS melt at the apatite-CMAS reaction front and continued to nucleate and grow within the residual CMAS in diffusion couples annealed for 1 to 50 h at 1200 °C as well as in those heat treated at 1300 °C for 1 h. Residual CMAS was depleted of Ca when cyclosilicate was present. Dendritic wollastonite (CaSiO3) was observed within the residual CMAS in couples annealed at 1200 and 1300 °C. Ingress of molten CMAS, because of its exponential decrease in viscosity, occurred through open pores and along the grain boundaries of the apatite substrates without any detectable chemical reaction at 1300 and 1400 °C. Results of this study indicate that Ca 2 Yb 8 (SiO 4 ) 6 O 2 apatite has the potential to mitigate the CMAS corrosion up to about 1200 °C but not at higher temperatures.

Narottam P Bansal↗
DOE OSTI2020

Biocatalysts for conversion of thermochemical waste streams

Disclosed herein are microorganisms that have enhanced tolerance to toxic compounds found in thermochemical waste streams. Methods of utilizing carbon found in waste streams are also disclosed. Also presented herein are methods for detoxifying waste streams and methods of bioconversion of toxic waste stream materials into useful products.

Jayakody, Thelhawadigedara Lahiru Niroshan↗
DOE OSTI2021

Ab Initio Study of Atomic and Electronic Structure of Promising Ba4XMn3O12 (X = Nb, Ce, Pr) Oxides for Solar Thermochemical Hydrogen Production

The two-step metal oxide water-splitting cycle is one of the most viable approach for Solar Thermochemical Hydrogen (STCH) production. Challenges exist in finding suitable oxides that can satisfy thermodynamics of the STCH redox cycle under viable range of temperatures and partial pressures. Recently, BXM family members, i.e., Ba4NbMn3O12 (BNM), Ba4CeMn3O12 (BCM), Ba4PrMn3O12 (BPM) are discovered to exhibit promising STCH performance. However, the magnetic degrees of freedom of their experimental crystal structures is not characterized, and only hypothetical models exist for their electronic structure. We performed Monte-Carlo sampling for the magnetic spin arrangement of Mn atoms to provide explicit atomic structure models for their ground state 12R polytype and determined the most stable spin configuration for each member after structure relaxation using density functional theory (DFT) calculations. We also elucidate the most stable charge configuration (Mn3+/Mn4+ arrangement) for BNM among the existing hypothesis in literature. We investigate these strongly correlated oxides using different levels of theory (DFT+U, Hybrid-DFT) to develop better understanding of their electronic structure. These calculations allowed us to develop a model based on molecular orbital interactions that help explain the observed changes in their experimental x-ray spectroscopy measurements. Thereby, help link differences in electronic structure of BXM family members to their varying water-splitting behavior. These structure models will further facilitate future in-depth defect studies to model STCH redox cycle of these oxides.

atomic and magnetic structure↗
DOE OSTI2021

Solar thermochemical processing system and method

A solar thermochemical processing system is disclosed. The system includes a first unit operation for receiving concentrated solar energy. Heat from the solar energy is used to drive the first unit operation. The first unit operation also receives a first set of reactants and produces a first set of products. A second unit operation receives the first set of products from the first unit operation and produces a second set of products. A third unit operation receives heat from the second unit operation to produce a portion of the first set of reactants.

Wegeng, Robert S.↗
DOE OSTI2022

High temperature thermochemical energy storage system

A thermochemical energy storage system and method of storing thermal energy are described. The energy storing system described herein comprises a reactor comprising: a) a reactor with a CO 2 sorbent including MgO; and b) a supercritical CO 2 source with supercritical CO 2 and H 2 O, wherein the supercritical CO 2 source is in fluid communication with the reactor and the CO 2 sorbent including MgO to allow flow of the supercritical CO 2 and H 2 O between the supercritical CO 2 source and the reactor, thereby allowing contact of CO 2 with the CO 2 sorbent comprising MgO.

Muto, Andrew Jerome↗
DOE OSTI2023

Comparison of Select Thermochemical Conversion Options for Municipal Solid Waste to Energy

This document provides a comparison of several thermochemical conversion options for municipal solid waste (MSW) - combustion, gasification, and pyrolysis - across various metrics such as products, number of current projects in the United States, capital and O&M costs, job development potential, emissions, and incentives associated with each pathway, as well as other parameters, such as operational considerations, land requirements, and public perception.

BIOMASS FUELS,ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Solar thermochemical processing system and method

A solar thermochemical processing system is disclosed. The system includes a first unit operation for receiving concentrated solar energy. Heat from the solar energy is used to drive the first unit operation. The first unit operation also receives a first set of reactants and produces a first set of products. A second unit operation receives the first set of products from the first unit operation and produces a second set of products. A third unit operation receives heat from the second unit operation to produce a portion of the first set of reactants.

Wegeng, Robert S.↗
DOE OSTI2023

System and operation for thermochemical renewable energy storage

Systems and methods for energy storage and energy recovery are provided. An electrical-to-electrical energy storage system includes a thermochemical energy storage device, a blower, a compressor, a turbine, and an electrical generator. The TCES device includes a vessel, a porous bed, and a heater. The porous bed is disposed within an interior volume of the vessel. The porous bed comprises a reactive material. The reactive material is configured to release oxygen upon being heated to a reduction temperature, and generate heat when exposed to oxygen. The heater is in thermal contact with the reactive material. The blower is configured to remove oxygen from the interior volume. The compressor is configured to flow oxygen into the interior volume. The turbine is configured to receive a heated, oxygen-depleted gas from the interior volume. The generator is configured to be powered by the turbine to generate electricity.

Klausner, James F.↗
DOE OSTI2024

High temperature thermochemical energy storage materials

Disclosed are high enthalpy thermochemical energy storage materials that exhibit high thermal conductivity and stability at high temperature reaction conditions. Disclosed materials include hydride-based alloys that can undergo high temperature reversible hydrogenation/dehydrogenation reactions without phase change of any metal or metalloid components of the alloy. The materials undergo a reversible exothermic hydrogenation reaction to form a metal hydride and a ternary alloy that includes a high thermal conductivity metal that, in its pure state, would exhibit a phase change at the hydrogenation reaction conditions.

Ward, Patrick A.↗
DOE OSTI2024

Solar thermochemical processing system and method

A solar thermochemical processing system is disclosed. The system includes a first unit operation for receiving concentrated solar energy. Heat from the solar energy is used to drive the first unit operation. The first unit operation also receives a first set of reactants and produces a first set of products. A second unit operation receives the first set of products from the first unit operation and produces a second set of products. A third unit operation receives heat from the second unit operation to produce a portion of the first set of reactants.

Wegeng, Robert↗
DOE OSTI2024

Thermochemical renewable energy storage

Systems and methods for energy storage and energy recovery are provided. An electrical-to-electrical energy storage system includes a thermochemical energy storage device, a blower, a compressor, a turbine, and an electrical generator. The TCES device includes a vessel, a porous bed, and a heater. The porous bed is disposed within an interior volume of the vessel. The porous bed comprises a reactive material. The reactive material is configured to release oxygen upon being heated to a reduction temperature, and generate heat when exposed to oxygen. The heater is in thermal contact with the reactive material. The blower is configured to remove oxygen from the interior volume. The compressor is configured to flow oxygen into the interior volume. The turbine is configured to receive a heated, oxygen-depleted gas from the interior volume. The generator is configured to be powered by the turbine to generate electricity.

Klausner, James F.↗
DOE OSTI2022

A Computational Framework to Accelerate the Discovery of Perovskites for Solar Thermochemical Hydrogen Production: Identification of Gd Perovskite Oxide Redox Mediators

A high-throughput computational framework to identify novel multinary perovskite redox mediators is presented, and this framework is applied to discover the Gd-containing perovskite oxide compositions Gd 2 BB'O 6 , GdA'B 2 O 6 , and GdA'BB'O 6 that split water. The computational scheme uses a sequence of empirical approaches to evaluate the stabilities, electronic properties, and oxygen vacancy thermodynamics of these materials, including contributions to the enthalpies and entropies of reduction, ΔH TR and ΔS TR . This scheme uses the machine-learned descriptor τ to identify compositions that are likely stable as perovskites, the bond valence method to estimate the magnitude and phase of BO 6 octahedral tilting and provide accurate initial estimates of perovskite geometries, and density functional theory including magnetic- and defect-sampling to predict STCH-relevant properties. Eighty-three promising STCH candidate perovskite oxides down-selected from 4392 Gd-containing compositions are reported, three of which are referred to experimental collaborators for characterization and exhibit STCH activity. Our results demonstrate that the high-throughput computational scheme described herein—which is used to evaluate Gd-containing compositions but can be applied to any multinary perovskite oxide compositional space(s) of interest—accelerates the discovery of novel STCH active redox mediators with reasonable computational expense.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Solar Thermochemical Carbon Dioxide Splitting Using Ceria and Iron Aluminate Foam Devices and Simulation of a Plant System for Demonstration

An international research project has been undertaken to integrate a unique solar thermal processing reactor system with ceria and iron aluminate as active redox materials for CO2 splitting. Experimental investigations for CO2 splitting were conducted using a solar simulator and tube furnace at Niigata University, followed by demonstrations using a high-flux solar furnace (HFSF) at the National Renewable Energy Laboratory (NREL) in Golden, CO. Each experimental setup consisted of foam devices composed of reticulated porous ceramic (RPC). The RPC has a full ceria or iron aluminate body. It fabricated using the replica method and subjected to a two-step redox reaction, which iteratively separated a stream of CO2 into O2 and CO. Reactivity was evaluated using CO production per mass of the reactive material. The tubular furnace yielded a CO production of 6.41 mL/g at a reduction temperature of 1600degrees C, showcasing a higher CO production rate and total amount than those obtained from experiments conducted with solar simulators and solar furnace setups. For iron aluminate RPC, the productivity was measured as 3.57 mL/g using HFSF at a reduction temperature of 1450degrees C. These results are somewhat higher than those of the previous experiment at lower reduction temperatures of 1400degrees C-1500degrees C. Additionally, the production of CO in the case of ceria RPC was compared with the steady flow model simulation, which assumed chemical equilibrium at various levels of oxygen partial pressure during the reduction process. On the basis of these results, this study proposes a solar fuel system with an open receiver that uses a high-temperature heat transfer fluid.

carbon dioxide thermochemical splitting↗
DOE OSTI2025

Thermochemical conversion of waste plastics with coal and biomass to generate value-added products

Co-gasification of waste plastic and waste coal/biomass in steam was investigated to evaluate the effects of operating conditions and low-cost catalyst compositions of coal ash on syngas production and tar mitigation. The results demonstrate the benefits of waste plastic conversion with coal or biomass. A better understanding of these processes will facilitate the development of more accurate kinetic models for industrial-scale chemical recycling.

co-gasification↗