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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 OSTI2020

Burning magnesium in carbon dioxide for highly effective phosphate removal

Magnesium oxide was found to have high-phosphate-affinity as an effective component to enhance the phosphate removal ability of common adsorbent materials. However, the currently prepared MgO-based hybrid adsorbents by conventional methods still suffer from the limited low loading of MgO and inferior removal performances, much far away from practical application. In this study, an ingenious carbon coated MgO nanocomposite is designed by directly burning magnesium in CO 2 , a well-known textbook reaction. X-ray diffraction analysis, scanning electron microscope and aberration-corrected high-resolution transmission electron microscope demonstrate the sample is well prepared. Consequently, the high content of nanosized MgO combined with defect-rich carbon layer brings unprecedented phosphate removal capacity of 1135.0 mg/g, removal rate of 99% and benign compatibility with coexisting anions and solution pH. Furthermore, the removal mechanism is also investigated in detail by characterizing the sample before and after adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Carbonation of MgO Single Crystals: Implications for Direct Air Capture of CO 2

Direct air capture (DAC) may be feasible to remove carbon dioxide (CO 2 ) from the atmosphere at the gigaton scale, holding promise to become a major contributor to climate change mitigation. Mineral looping using magnesium oxide (MgO) is potentially an economical, efficient, and sustainable pathway to gigaton-scale DAC. The hydroxylation and carbonation of MgO determine the efficiency of the looping process, but their rates and mechanisms remain uncertain. Here, in this work, MgO single crystals were reacted in air or CO 2 at varying humidities and characterized by X-ray scattering, microscopy, and vibrational spectroscopy. Results show that the hydroxylation formed a brucite (Mg(OH) 2 )-like layer immediately after crystal cleaving. Concurrently, the carbonation formed hydrated magnesium carbonate phases, including barringtonite (MgCO 3 ·2H 2 O) and nesquehonite (MgCO 3 ·2H 2 O), in the layer. Rapid initial growth of the layer is also manifested in short-range bending/warping of nanocrystallites, resulting in multiple orientations of the same phases on the surface. The layer growth slowed down over time, indicating surface passivation. The formation of barringtonite and nesquehonite with 1:1 CO 3 /Mg ratio indicates an efficient carbonation when compared to other magnesium carbonate phases of lower ratio. Our results are essential for understanding surface passivation mechanisms and tackling the passivation issue of mineral looping DAC technology.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Encapsulation of Wastes Using Adapted Geopolymer Formulations - 20272

A geopolymer formulation characterized by a low initial viscosity, suitable to immobilise a wide range of waste types such as oils, chemicals and solid waste, is introduced and characterized. The role of the specific surface area of magnesium oxide additions to the reference formulation is presented. Moreover, its capability to encapsulate different volume fractions of oil via the preparation of oil in activator solution emulsions is introduced. Lastly, the effect of oil incorporation on the density, the mechanical strength and the leaching properties of the compositions is presented and discussed. (authors)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Iron Impurity Impairs the CO 2 Capture Performance of MgO: Insights from Microscopy and Machine Learning Molecular Dynamics

Magnesium oxide (MgO) is a promising sorbent for direct air capture (DAC) of carbon dioxide. Iron (Fe) is a common impurity in naturally occurring MgO and minerals used to produce MgO, yet a molecular-scale understanding of Fe-doping effects on carbonation is lacking. Here, in this study, we observed reduced carbonation performance in Fe-doped MgO experimentally. The energetics of adsorbing a (bi)carbonate ion on pristine and Fe-doped MgO(001) surfaces were further investigated using ab initio and machine learning potential molecular dynamics coupled with metadynamics simulations. Both pristine and Fe-doped surfaces exhibited a basic (OH – ) hydration layer, where the (bi)carbonate ion adsorption is thermodynamically favorable. However, the dissolution of surface Fe had smaller energy barriers and was more favorable than Mg. Leached Fe likely neutralized the near-surface basicity, yielding reduced reactivity on Fe-doped MgO. Our observations offer critical insights for material selection and emphasize the importance of evaluating the geologic origin of earth materials used for DAC.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of multiple calcination cycles on CO 2 capture efficiency during carbonation of MgO in a mineral looping process

Magnesium oxide (MgO) is considered as a potential sorbent for direct air capture of carbon dioxide in a looping process. Previous research on mineral looping for carbon capture from flue gas using MgO has shown deactivation of the sorbent with repeated cycles but repeated cycling for carbonation at ambient conditions has not been yet investigated. Here, we tested three cycles of carbonation for MgO nano-scale powders with different starting surface area. We find that carbonation efficiency is higher at higher surface area. No decrease in carbonation efficiency was observed with cycling, instead we find that carbonation efficiency and surface area are stable or even increasing with cycling. Based on our experimental data, we hypothesize that the carbonation in presence of relative humidity leads to first hydration of MgO, leading to formation of brucite (Mg(OH) 2 ). This formation of Mg(OH) 2 is a volume-increasing reaction, which leads to fracturing of MgO particles and results in an increase in surface area. We observed formation of amorphous and crystalline hydrated carbonates. The crystalline phase observed was nesquehonite (MgCO 3 ⋅ 3H 2 O). Our results show that MgO does not show any deactivation with repeated cycling for carbon capture at ambient conditions and in the presence of humidity. These findings therefore indicate that MgO is a suitable candidate as sorbent material for direct air capture of carbon dioxide.

Ambient weathering↗
DOE OSTI2020

Assessment of Impurities in Neptunium Metal Using Double-Focusing SF-ICP-MS

In the transmutation process, minor actinides such as neptunium, americium and curium obtained from spent nuclear fuel are incorporated into new fuel that can be placed into a fast reactor, where these elements fission into products with shorter half-lives which reduces the health and safety hazards. In order to better understand the all the involved processes, fundamental physical properties of actinides should be investigated, and for that reason, high-purity materials need to be produced. One of the main challenges in characterizing these materials is the lack of pure metal available for study, and lack of analytical methods to determine the purity. Trans-uranic elements are challenging to study because of the need to be handled in specialized facilities, safeguards concerns and they are not easily purchased and/or produced. High-purity Np metal is being produced at the Materials and Fuels Complex (MFC) of Idaho National Laboratory (INL), in a process of direct oxide reduction developed by Squires and Lessing, with a target purity of 99.999%. The goal of this research is to develop methods to determine the impurities in the Np metal, with detection limits low enough to achieve this purity level. In this work, we have used several ICP-MS and ICP OES techniques, but the focus was the method development using a recently acquired Double-Focusing Sector Field Inductively Coupled Plasma Mass Spectrometer (SF-ICP-MS). To produce the Np metal, approximately 20 g of the neptunium oxide powder was calcined at 800 oC for 6 h in a magnesium oxide crucible, which is placed inside a stainless steel crucible, that goes into the Hot Uniaxial Press (HUP) furnace insert. After the calcining step, the Np oxide was mixed with approximately 9 g of calcium metal and 100 g of ultra-dry calcium chloride. The HUP furnace was heated in a ramp rate of 50 oC min -1 up to 1000 oC. When the reaction mixture reached 850 oC, a tantalum stirrer was activated at 100 rpm. After the tantalum stirrer was removed and the mixture cooled overnight, the MgO crucible was opened with a hammer and chisel to retrieve the Np metal button at the bottom of the reaction mixture. Prior to the dissolution process, the surface contaminants of the sample were removed. The Np button was washed in 10 mL of ultra-pure water for 1 min, with a faint reaction observed on the surface, indicating the presence of Ca metal. The water-washed sample was placed in a tube with 2 M HCl for only 3 s, as a vigorous reaction in the button surface was observed. The leachates were saved for further analysis. The sample was then rinsed with ultra-pure water and air-dried prior to dissolution. The cleaned sample was placed in a PTFE beaker and 25 mL of 6 M HCl and 150 µL of 24 M HF were added. After 10 minutes of reaction, the beaker was placed on a hot plate for 1 h and 30 min, followed by the addition of 1 mL of 16 M HNO3 and allowed to react for a further 1 h and 20 min. The sample was removed from heat and 10 mL of HNO3 16 M was added to react with the HCl. The beaker was covered and left for overnight reaction, producing a solution with approximately 20 mL of final volume. A Quadrupole Inductively Coupled Plasma Mass Spectrometer (Q-ICP-MS, Perkin Elmer ELAN DRC II Q-ICP-MS) was used to obtain qualitative mass spectra for the dissolution blank, each of the leachates and the dissolved sample. In the water leachate spectrum mainly Ca and Mg were observed, while the acid wash had a similar peak pattern to the one observed for the Np metal sample, indicating that the process not only removed surface contamination, but also reacted with the sample itself. In the Np material spectrum, Ta and actinides were identified as candidates for major contaminants, as the most intense peaks corresponded to the mass-to-charge ratios of these elements. Minor contaminants included Al, Au, Ca, Cr, Fe, I, Na, Nb, Pb, Sn, Ti, Tl, V, Y. The presence of impurities in the material could have originated from several sources, such as the materials used for the casting process, the use of impure NpO2 or contamination of reagents and materials used for the analysis. Some of the isotopes listed as potential contaminants are susceptible to spectral interferences, so Double-Focusing SF-ICP-MS (Nu Instruments Attom ES HR-ICP-MS) was used for the quantitative analysis. For each isotope determined, several items were evaluated: raw signal of a blank solution, sensitivity and determination coefficient of calibration curves, possibility of interferences and comparison of results obtained for at least two resolving powers (RP): 300 and 4000. The evaluation of the signal in a blank solution can indicate if a spectral interference from the plasma gas and/or the solvent was successfully resolved (commonly observed for 52Cr+/40Ar12C+, for example). It is important to highlight that a signal reduction is expected when a higher RP is used, as the ion beam transmission is decreased by the use of narrower slits

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Thermal Mechanical Stability of Single-Crystal-Oxide Refractive Concentrators Evaluated for High-Temperature Solar-Thermal Propulsion

Recently, refractive secondary solar concentrator systems were developed for solar thermal power and propulsion (ref. 1). Single-crystal oxides-such as yttria-stabilized zirconia (Y2O3-ZrO2), yttrium aluminum garnet (Y3Al5O12, or YAG), magnesium oxide (MgO), and sapphire (Al2O3)-are candidate refractive secondary concentrator materials. However, the refractive concentrator system will experience high-temperature thermal cycling in the solar thermal engine during the sun/shade transition of a space mission. The thermal mechanical reliability of these components in severe thermal environments is of great concern. Simulated mission tests are important for evaluating these candidate oxide materials under a variety of transient and steady-state heat flux conditions. In this research at the NASA Lewis Research Center, a controlled heat flux test approach was developed for investigating the thermal mechanical stability of the candidate oxide. This approach used a 3.0-kW continuous-wave (wavelength, 10.6 mm) carbon dioxide (CO2) laser (ref. 2). The CO2 laser is especially well-suited for single-crystal thermal shock tests because it can directly deliver well-characterized heat energy to the oxide surfaces. Since the oxides are opaque at the 10.6-mm wavelength of the laser beam, the light energy is absorbed at the surfaces rather than transmitting into the crystals, and thus generates the required temperature gradients within the specimens. The following figure is a schematic diagram of the test rig.

Jacobson, Nathan S.↗
NASA NTRS1999

Thermal Shock Behavior of Single Crystal Oxide Refractive Concentrators for High Temperatures Solar Thermal Propulsion

Single crystal oxides such as yttria-stabilized zirconia (Y2O3-ZrO2), yttrium-aluminum-garnet (Y3Al5O12, or YAG), magnesium oxide (MgO) and sapphire (Al2O3) have been considered as refractive secondary concentrator materials for high temperature solar propulsion applications. However, thermal mechanical reliability of the oxide components in severe thermal environments during space mission sun/shade transitions is of great concern. In this paper, critical mechanical properties of these oxide crystals are determined by the indentation technique. Thermal shock resistance of the oxides is evaluated using a high power CO, laser under high temperature-high thermal gradients. Thermal stress fracture behavior and failure mechanisms of these oxide materials are investigated under various temperature and heating conditions.

Zhu, Dongming↗
DOE OSTI2022

Improbability of Nuclear Criticality in Compacted Criticality Control Overpacks after Room Closure by Salt Creep at Waste Isolation Pilot Plant

Based on the rationale presented, nuclear criticality is improbable after salt creep causes compaction of criticality control overpacks (CCOs) disposed at the Waste Isolation Pilot Plant, an operating repository in bedded salt for the disposal of transuranic (TRU) waste from atomic energy defense activities. For most TRU waste, the possibility of post-closure criticality is exceedingly small either because the salt neutronically isolates TRU waste canisters or because closure of a disposal room from salt creep does not sufficiently compact the low mass of fissile material. The criticality potential has been updated here because of the introduction of CCOs, which may dispose up to 380 fissile gram equivalent plutonium-239 in each container. The criticality potential is evaluated through high-fidelity geomechanical modeling of a disposal room filled with CCOs during two representative conditions: (1) large salt block fall, and (2) gradual salt compaction (without brine seepage and subsequent gas generation to permit maximum room closure). Geomechanical models of rock fall demonstrate three tiers of CCOs are not greatly disrupted. Geomechanical models of gradual room closure from salt creep predict irregular arrays of closely packed CCOs after 1000 years, when room closure has asymptotically approached maximum compaction. Criticality models of spheres and cylinders of 380 fissile gram equivalent of plutonium (as oxide) at the predicted irregular spacing demonstrate that an array of CCOs is not critical when surrounded by salt and magnesium oxide, provided the amount of hydrogenous material shipped in the CCO (usually water and plastics) is controlled or boron carbide (a neutron poison) is mixed with the fissile contents.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Improbability of Post-Closure Criticality in Compacted Criticality Control Overpacks after Room Closure at Waste Isolation Pilot Plant

As part of its periodic re-certification of the Waste Isolation Pilot Plant (WIPP), an operating repository in bedded salt for the disposal of transuranic (TRU) waste from atomic energy defense activities, the United States Environmental Protection Agency expects a re-evaluation of features, events, and processes, such as post-closure nuclear criticality. Although salt creep beneficially encapsulates the TRU waste in the closed WIPP repository, the spacing between an array of waste packages is disrupted as the salt creep closes disposal rooms and containers lose structural integrity. For most TRU waste, the possibility of post-closure criticality is exceedingly small either because the salt neutronically isolates TRU waste canisters or because closure of a disposal room from salt creep does not sufficiently compact the low mass of fissile material. The criticality evaluation was updated, however, because of the introduction of criticality control overpack (CCO) containers, which may dispose up to 380 fissile gram equivalent plutonium-239 in each container. The criticality potential is evaluated through high-fidelity geomechanical modeling of a disposal room filled with CCO containers during two representative conditions: (1) large salt block fall, and (2) gradual disposal room closure from salt creep. Geomechanical models of roof fall demonstrate three tiers of CCO containers are not greatly disrupted. Geomechanical models of gradual room closure from salt creep (without brine seepage and subsequent gas generation to permit maximum room closure) were used to predict irregular arrays of closely packed CCOs after 1000 years, when room closure has asymptotically approached maximum compaction. Models of spheres or cylinders with 380 fissile gram equivalent of plutonium (as oxide) at the predicted irregular compacted spacing demonstrate that an array of CCO containers is not critical when surrounded by salt and magnesium oxide, provided the mass of hydrogenous material shipped in CCO containers (usually plastics) is controlled or boron carbide (a neutron poison) is mixed with the fissile contents.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1989

Making MgO/SiO2 Glasses By The Sol-Gel Process

Silicon dioxide glasses containing 15 mole percent magnesium oxide prepared by sol-gel process. Not made by conventional melting because ingredients immiscible liquids. Synthesis of MgO/SiO2 glass starts with mixing of magnesium nitrate hexahydrate with silicon tetraethoxide, both in alcohol. Water added, and transparent gel forms. Subsequent processing converts gel into glass. Besides producing glasses of new composition at lower processing temperatures, sol-gel method leads to improved homogeneity and higher purity.

Bansal, Narottam P.↗
DOE OSTI2022

Stoichiometric metal nitration based novel green synthesis of mesoporous metal oxides and their enhanced heterogeneity

Here, in this work, a general and novel method for the green synthesis of mesoporous metal oxides via stoichiometric metal nitration has been demonstrated. Pluronic surfactants and their effect on synthesis procedures in terms of surface area have been experimentally studied in detail. Contrary to the traditional synthesis procedure, water has been utilized as the solvent and in several cases, such as tin oxide, manganese oxide, aluminum oxide, antimony oxide, zinc oxide, cobalt oxide, copper oxide, yttrium oxide, lanthanum oxide, and silver either the highest or comparable surface areas have been successfully synthesized. Through XRD, and TEM, all materials were observed to be crystalline except silver and magnesium oxide. SEM shows that with an increase in surfactant molar mass agglomeration decreases. Ammonia chemisorption on acidic materials gives quantitative amounts of ammonia chemical bonding with catalysts, whereas carbon dioxide chemisorption gives a quantitative value of CO 2 chemical binding with basic sites. As high as 1901.8 μmol/g and 994.6 μmol/g ammonia chemisorption values for oxides of vanadium and tin were achieved. Amphoteric materials give both acidic and basic enhanced adsorption. Finally, all synthesized materials are studied under organic catalytic transformations. Benzyl bromide is theoretically more active compared with benzylamine and benzyl alcohol which was also experimentally shown through the conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Combustion synthesis of nanoscale magnesium borides with improved hydrogen uptake and release

The overarching goal of the reported project was to develop reversible metal hydrides that can be dehydrogenated and recharged at relatively low temperatures and pressures. The project complemented the research on reversible metal hydrides for hydrogen storage conducted by the Hydrogen Materials – Advanced Research Consortium (HyMARC). The students involved were trained at both the University of Texas at El Paso (UTEP) and Sandia National Laboratories (SNL). The research objectives were to fabricate nanoscale magnesium boride powders with different B/Mg atomic ratios and to investigate the effects of B/Mg ratio and particle size on the hydrogenation properties of the obtained materials. Magnesium diboride (MgB 2 ) and tetraboride (MgB 4 ) were synthesized by using combustion synthesis and by heating in a tube furnace. The latter method resulted in materials with significantly reduced impurity levels. An effective method for the removal of magnesium oxide impurities was identified. High-energy ball milling produced submicron MgB 2 and MgB 4 powders. However, hydrogenation experiments at pressures up to 700 bar have not shown any uptake of hydrogen. Thermogravimetric analysis of the decomposition of the obtained MgB 2 and MgB 4 demonstrated higher thermodynamic stability of the latter. Thus, the boron-rich nature and phase stability of magnesium borides with high B/Mg ratios make them poor candidates for direct hydrogenation. However, the synthesized MgB 4 is a promising energetic additive to solid fuels for high-speed air-breathing propulsion as it offers a lower oxidation onset temperature and greater energy density than MgB 2 .

08 HYDROGEN↗
DOE OSTI2021

Implications of the iron oxide phase transition on the interiors of rocky exoplanets

The discovery of an extraordinary number of extrasolar planets, characterized by an unexpected variety of sizes, masses and orbits, challenges our understanding of the formation and evolution of the planets in the Solar System and the perception of the Earth as the prototypical habitable world. Many exoplanets appear to be rocky and yet more massive than the Earth, with expected pressures and temperatures of hundreds of gigapascal and thousands of Kelvin in their deep interiors. At these conditions, the properties of bridgmanite and ferropericlase, expected to dominate their mantles, are largely unconstrained, limiting our knowledge of their interior structure. Here we used nano-second X-ray diffraction and dynamic compression to experimentally investigate the atomic structure and density of iron oxide (FeO), one of the end-members of the (Mg,Fe)O ferropericlase solid solution, up to 700 GPa, a pressure exceeding the core–mantle boundary of a 5 Earth masses planet. Our data document the stability of the high-pressure cesium-chloride B2 structure above 300 GPa, well below the pressure required for magnesium oxide (MgO) to adopt the same phase. These observations, complemented by the calculation of the binary MgO–FeO phase diagram, reveal complex stratification and rheology inside large terrestrial exoplanets.

58 GEOSCIENCES↗
DOE OSTI2025

Enhancing HT-WGS catalyst performance with stable monovalent copper species via electron supply from defect-induced MgO

Magnesium oxide (MgO) exhibits excellent synergy with cerium oxide (CeO2), serving as either textural or electronic promoters during catalytic reactions. However, achieving well-dispersed CeO2-MgO is technically challenging because they are known not to form solid solutions, and the crystal growth of CeO2 suppresses the structure formation of MgO, leading to MgO being in an inhomogeneous amorphous state within CeO2-MgO. For this reason, most of research groups have been struggling with synthesizing well-dispersed CeO2-MgO. This leads them to focusing on the interaction between the active metal and cerium, overlooking the true role of magnesium. In this study, we successfully synthesized well-dispersed CeO2-MgO via a spray pyrolysis-assisted evaporation-induced self-assembly method, followed by the impregnation of Cu. The location and dispersion of Cu nanoparticles were highly dependent on the MgO distribution. Additionally, we revealed that this significantly influenced the catalytic activity and stability towards the HTS reaction and furthermore supplies electrons to monovalent Cu species, helping maintain the stable electron structure and oxidation state of Cu species considered as active sites. These findings suggest that optimizing the MgO distribution in CeO2-MgO is a promising strategy for developing efficient catalysts for the HTS reaction, emphasizing the role of MgO in designing high-performance catalysts.

Kim, Min-Jae↗
NASA NTRS1961

Spontaneous Cracking in Unfired Magnesia Compacts Upon Standing in Air

Analytical-grade magnesium oxide powder without binder was compressed hydrostatically to 50,000 lb. per sq. in. to form compacts. When exposed to moist air immediately after pressing, these compacts developed irregularly shaped cracks. Controlled tests, in which these compacts were exposed for various lengths of time to various atmospheres, indicated that in general water vapor, carbon dioxide, and residual stresses had to be present if cracking was to occur. The probable cause of the cracking was the formation of a less dense and mechanically weak basic carbonate of magnesium at crystallite surface points of high stress concentration which developed during the compacting. The adsorption of dry CO2 at such sites prevented subsequent delayed fracture.

Davies, Myron O.↗
DOE OSTI2026

Mining waste-driven carbon capture via ocean alkalinity enhancement

Ocean alkalinity enhancement (OAE) has emerged as a promising strategy to mitigate ocean acidification and reduce global warming. Traditional metal (e.g., critical materials) mining industries release alkaline waste via mining tailings with high concentrations (99.2%) of calcium and magnesium oxide (CaO, MgO). Incorporating mining waste into OAE processes is less energy intensive than processes relying on calcination of limestone for CaO production. The solubility limit of simulated mining waste in American Society for Testing and Materials (ASTM) seawater is 75 mg⋅L -1 , which can sequester 118 mg of carbon dioxide (CO 2 ). The solubility in seawater retrieved from Sunset Beach, FL was 25 mg⋅L -1 . Changes in pH, total alkalinity, and total inorganic carbon were analyzed to confirm the successful addition of simulated alkaline mining waste without the formation of secondary precipitation. This study proposes a new OAE strategy where a facility is developed nearby ocean waters that mixes alkaline waste with seawater. Subsequently, the seawater is met with previously captured, pure CO 2 to bring the pH back to 8.2 and eliminate the risks of pH shock and secondary precipitation. Technoeconomic analysis estimated an energy requirement of 1.4 GJ per ton of CO 2 stored that resulted in a processing cost of $\$$266 per ton of CO 2 sequestered (4.2 GJ per ton, $\$$807 per ton of CO 2 for real seawater). Results from this study underscore the potential for utilizing mining waste in OAE processes and provide a pathway for practical deployment.

Absorption↗