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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

SPRUCE Soil Metabolome Responses to Whole Ecosystem Warming in SPRUCE Experimental Plots Beginning in 2016

This dataset reports a suite of complementary environmental geochemical analyses of peat extracts and porewater samples from SPRUCE experimental plots across a range of whole ecosystem warming (WEW) temperature treatments beginning in 2016. Results of peat extract analyses include NMR and GC-MS analyses of central metabolites, liquid chromatography mass spectra (LC-MS) analyses of lipids, and quantitative proteomics. Porewater was analyzed by FTICR-MS for secondary metabolites, and for carbon dioxide (CO2), methane (CH4) concentrations, stable isotope composition, and the differential solubility corrected CO2:CH4 ratio. This dataset contains six files in comma separated (*.csv) format.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Elevations in Tumor Necrosis Factor Alpha and Interleukin 6 From Neuronal-Derived Extracellular Vesicles in Repeated Low-Level Blast Exposed Personnel

The purpose of this pilot study was to determine if military service members with histories of hundreds to thousands of low-level blast exposures (i. e., experienced breachers) had different levels of serum and neuronal-derived extracellular vesicle (EV) concentrations of interleukin (IL)-6, IL-10, and tumor necrosis factor alpha (TNFα), compared to matched controls, and if these biomarkers related to neurobehavioral symptoms. Participants were experienced breachers (n = 20) and matched controls without blast exposures (n = 14). Neuronal-derived EVs were isolated from serum and identified with mouse anti-human CD171. Serum and neuronal-derived EVs were analyzed for IL-6, IL-10, and TNFα using an ultra-sensitive assay. Serum TNFα concentrations were decreased in breachers when compared to control concentrations (p < 0.01). There were no differences in serum concentrations of IL-6, IL-10, or the IL-6/IL-10 ratio between breachers and controls (p's > 0.01). In neuronal-derived EVs, TNFα and IL-6 levels were increased in breachers compared to controls (p's < 0.01), and IL-10 levels were decreased in the breacher group compared to controls (p < 0.01). In breachers the IL-6/IL-10 ratio in neuronal-derived EVs was higher compared to controls, which correlated with higher total Rivermead Post-concussion Questionnaire (RPQ) scores (p's < 0.05). These findings suggest that exposure of personnel to high numbers of low-level blast over a career may result in enduring central inflammation that is associated with chronic neurological symptoms. The data also suggest that peripheral markers of inflammation are not necessarily adequate surrogates for central neuroinflammation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

dlppi2 (b1)

The Doppler lidar (DL) is an active remote-sensing instrument that provides range- and time-resolved measurements of the line-of-sight component of air velocity (i.e., radial velocity) and attenuated aerosol backscatter. The DL operates in the near-infrared and is sensitive to backscatter from atmospheric aerosol, which are assumed to be ideal tracers of atmospheric wind fields. The DL works by transmitting short pulses of infrared laser light into the atmosphere. Atmospheric aerosols scatter a small fraction of that light energy back to the transceiver, where it is collected and recorded as a time-resolved signal. From the delay between the outgoing pulse and the backscattered signal, the instrument infers the distance to the scattering volume. Coherent detection is used to measure the Doppler frequency shift of the backscatter signal. This is accomplished by mixing the backscatter signal with a reference laser beam (i.e., local oscillator) of known frequency. The onboard signal processor then determines the Doppler frequency shift from the spectrum of the mixed signal. The Doppler frequency shift and thus the radial air velocity is determined from the peak of the Doppler spectrum. The attenuated backscatter is determined from the energy content of the Doppler spectra. The DL provides accurate measurements of radial velocity in regions of the atmosphere where aerosol concentrations are high enough to ensure good signal-to-noise ratio. Thus, valid data are usually limited to the atmospheric boundary layer where aerosol is ubiquitous. Valid measurements can also be obtained in elevated aerosol layers or in optically thin clouds above the boundary layer. Most of the ARM DLs have full upper-hemispheric scanning capability, enabling 3D mapping of turbulent flows in the atmospheric boundary layer. With the scanner pointed vertically, the DL provides height- and time-resolved measurements of vertical velocity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Synthesis, Characterization, and Testing of High-Lithium-Density Composite Breeders

Solid tritium breeder materials must first and foremost have sufficiently high concentrations of lithium to enable a plant-scale tritium breeding ratio greater than 1:1. However, in addition to lithium content, such breeder materials must also meet other performance metrics including high tritium release rates, thermal conductivities, and irradiation damage tolerance. Perhaps most importantly, tritium breeders must maintain their mechanical integrity during reactor operation so as to avoid degradation which can jeopardize the functionality of the tritium breeder blanket module, which in most designs takes the form of a pebble bed geometry. Unfortunately, the mechanical robustness of most lithium-bearing ceramics under investigation for fusion applications is often inversely related to the lithium atom density. For example, a material such as lithium oxide (Li2O), which has one of the highest lithium atom densities, has a much lower mechanical splitting strength than lithium metatitanate (Li2TiO3), though Li2TiO3 has less than half the lithium atom density of Li2O. This work seeks to provide an alternative to monolithic ceramic tritium breeders, in the form of metal-reinforced composite tritium breeders. Specifically, composite tritium breeders have been synthesized combining Li2O with various ferrous metal reinforcements via electric field assisted sintering (EFAS), also known as spark plasma sintering (SPS). As the metal reinforcement content is increased, metallic networks are observed, via electron microscopy and X-ray computed tomography, to form throughout the composite material. Through destructive mechanical testing, even dilute metal reinforcement loading enables drastic mechanical strength improvements over pure Li2O while higher loadings give rise to quasi-ductile behavior and higher ultimate strengths than Li2TiO3 – while still maintaining a higher density of lithium atoms than Li2TiO3 and many other breeder candidates. In addition to microstructural characterization and mechanical testing, thermal property measurements and hydrogen permeability testing are underway to further assess the suitability of such composites for fusion reactor applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Chemical and isotopic evolution of flowback fluids from the Utica Gas Shale Play, Eastern Ohio USA

For this work, hydraulic fracturing flowback fluids were collected from two Utica/Point Pleasant well pads in eastern Ohio. One site was in the wet gas zone (UPPW), while the site ~50 km south consisted of four wells on the same pad in the dry gas zone (UPPS). Samples of input fluids also were collected before and during hydraulic fracturing. Flowback fluids are Na-Ca-Cl brines with total dissolved salt (TDS) concentrations that increase over several months from ~100 to 200 g/L. The slightly higher TDS of the dry gas fluids are in part due to recycled flowback used as input fluids, and in part due to lower volume of water used in hydraulic fracturing. Concentrations of most major ions (Ca 2+ , Mg 2+ , Na + , Sr2 + , Fe, Mn, Cl – , Br – ) are similar for the five wells sampled, although small but systematic changes occur in the major element ratios over time. Most notably, an increase in the Sr/Cl ratio corresponds to an increase in the 87 Sr/ 86 Sr ratio in the fluids, suggesting interactions with a more radiogenic Sr source in the subsurface. Dissolved Ba concentrations and Ra activities were different between the two sites, reflecting a high SO 4 2– fluid used at the UPPW site, and water-rock reactions occurring during hydraulic fracturing at the UPPS site. Water oxygen (δ 18 O) and hydrogen (δD) isotopes for input fluids used in the UPPW4 well and fresh water used for the UPPS wells fall on the Global Meteoric waterline (GMWL). Flowback fluids from both sites are relatively enriched in δ 18 O and δD compared to the input, but do not appear to follow a simple mixing trend, suggesting reaction and isotopic exchange with carbonates and fractionation due to imbibition in the rock. Cl isotopes, δ 37 Cl in the FP fluids varied from ~ –0.43 to +0.13‰, the largest variation was observed in the earlier stages of flowback, while in the later stages δ 37 Cl exhibited a small but systematic increase over time, suggesting diffusion control of isotopic composition. Some of the trace species measured (dissolved Fe, Mn, thiosulfate and organic acids) do not follow the same trends as the major ions, suggesting contributions from input fluids, or microbially mediated reactions are exerting control on their concentrations. Input water chemistry exerts an important control on the Sr and Ba concentrations in flowback water. High SO 4 2– in the input fluids used for hydraulically fracturing the wet gas well leads to precipitation of barite-celestite in flowback fluids.

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

Highly sensitive 2D X-ray absorption spectroscopy via physics informed machine learning

Abstract Improving the spatial and spectral resolution of 2D X-ray near-edge absorption structure (XANES) has been a decade-long pursuit to probe local chemical reactions at the nanoscale. However, the poor signal-to-noise ratio in the measured images poses significant challenges in quantitative analysis, especially when the element of interest is at a low concentration. In this work, we developed a post-imaging processing method using deep neural network to reliably improve the signal-to-noise ratio in the XANES images. The proposed neural network model could be trained to adapt to new datasets by incorporating the physical features inherent in the latent space of the XANES images and self-supervised to detect new features in the images and achieve self-consistency. Two examples are presented in this work to illustrate the model’s robustness in determining the valence states of Ni and Co in the LiNi x Mn y Co 1-x-y O 2 systems with high confidence.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-Temperature Heat Transfer Fluid Circulator for Concentrating Solar Power Systems

A high temperature Heat Transfer Fluid circulator compressor with wide turn down ratio aerodynamic performance was designed, fabricated and tested for application with high pressure super Critical CO2 fluid capable of temperatures and pressures to >750°C and 25 MPa respectively. The modular system decoupled the drive motor system from an independent compressor shaft to provide thermal isolation between the high temperature compressor shaft and the lower temperature capable motor elements. While the thermal management approach appears to be viable there are potential losses in the secondary cooling flows that need to be taken into account and fine-tuned during operation in order to achieve desired overall system efficiencies. The system was also shown to be viable and dynamically stable throughout the entire operating speed range, thereby validating the overall system configuration and structural design approach used. Finally, while it was not possible to achieve specific PTC-10 test points, the compressor performance tests provide sufficient data to indicate that the compressor has the ability to achieve the required performance in practice. The two key factors affecting compressor design and cost are the maximum expected temperature and pressure. The maximum allowable temperatures for current state-of-the-art (SOA) motor driven compressor technology is limited to of approximately 150-200°C, but inlet temperatures >750 °C may be encountered. While the optimal efficiency of compression is in the transcritical region, some concepts require inlet pressures to 225 bar.

14 SOLAR ENERGY↗
DOE OSTI2021

Comparison of near-background concentrations of Argon-37 and Xenon-133 in the Atmosphere

Radioisotopes of noble gases xenon and argon can be important indicators of underground nuclear explosions. The Comprehensive Nuclear-Test-Ban Treaty (CTBT) includes monitoring capabilities to identify potential nuclear explosions conducted in violation of the CTBT. This monitoring currently focuses on measurement of the xenon isotopes 133Xe, 135Xe, 131mXe and 133mXe. However, it is predicted that within 100 days of an underground nuclear explosion (UNE) 37Ar would be released to the atmosphere at higher concentrations than xenon isotopes (Haas et al. 2010) and with a higher signal to background ratio, depending on the radioxenon background levels. Therefore, inclusion of 37Ar measurement capabilities at atmospheric International Monitoring System (IMS) stations may represent an improvement in the capability to detect a nuclear explosion. At an IMS station, it could be difficult to determine what constitutes an elevated concentration as a result of an UNE without first understanding the expected range of background concentrations. This work describes our analysis of atmospheric samples for 37Ar to evaluate the range of background concentrations. Samples were collected at multiple locations, with approximately half coming from a sampler co-located with an IMS xenon monitoring station (RN75). The range of 37Ar concentrations measured in atmospheric air samples was relatively narrow; for samples considered detectable, the minimum and maximum measured concentrations were 0.56 and 2.3 mBq/m3, respectively. Comparison of 37Ar and 133Xe concentrations measured at the IMS station indicated some correlation between the measured concentrations. The results presented here demonstrate the capability to detect background concentrations of 37Ar in atmospheric air and provide a basis for potential implementation of 37Ar monitoring at IMS stations.

Fritz, Brad G.↗
DOE OSTI2020

Influence of manganese abundances on iron and arsenic solubility in rice paddy soils

Arsenic (As) mobilization in rice paddy soils under fluctuating redox conditions is influenced by the biogeochemical cycling of redox sensitive elements such as iron (Fe) and manganese (Mn). Arsenic mobility in paddy soils is highly variable, and the influence of Mn abundances and Mn/Fe ratios on As mobility in these soils have received little attention. In this contribution, we developed a complementary set of field and laboratory experiments designed to evaluate the impact of Mn on interconnected Fe and As solubilization in rice paddy soils experiencing wetting-drying cycles through controlled irrigation. Porewater monitoring and synchrotron-based imaging and spectroscopy of thin sections prepared from an Arkansas paddy soil confirmed that As release was primarily governed by reductive dissolution of Fe (oxy)hydroxide phases. Experiments with laboratory soil microcosms amended with the synthetic nanocrystalline Mn oxide, δ-MnO 2 , showed that higher initial Mn/Fe inhibited Fe and As mobilization into porewater relative to unamended soil by up to 95% and 45%, respectively. Geochemical modeling suggests that pH increases driven by microbial MnO 2 reduction, in conjunction with microbial Fe- and sulfate-reduction in carbonate-rich porewater, enhanced the precipitation of siderite (FeCO 3(s) ), mackinawite (FeS (s) ), and potentially a Mn(II) arsenate phase. These secondary mineral phases likely played a greater role in controlling As solubilization than the role of Mn as a redox buffer regulating the redox conditions in the flooded soils. Field and laboratory experiments showed that alternate wetting and drying approaches with a single dry-down can be effective at reducing dissolved As concentrations in porewater through the oxidation of Fe. Differences in soil Mn/Fe ratios had no clear impact on the effectiveness of dry-downs as a strategy to reduce As mobilization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Mobilization of mercury from contaminated creekbank soils

The industrial use of mercury (Hg) led to the contamination of numerous watersheds worldwide, including the East Fork Poplar Creek (EFPC) in Tennessee, USA. Mercury can accumulate in creek banks and floodplain soils and is mobilized into downstream environments due to erosion from precipitation and flooding. Here, this study aimed to evaluate the geochemical conditions contributing to the release of Hg from contaminated soils in this watershed. Bank soil samples from the EFPC watershed with total Hg concentrations ranging from 27.2 to 1,425 mg·kg −1 were used in a series of batch experiments with artificial creek water at a solid-to-solution ratio of 1:30 to assess Hg release. Additional experiments examined Hg release across different soil size fractions and solid-to-solution ratios, as well as the effect of dissolved organic matter and time on Hg mobilization. Mercury release ranged from 0.011 to 0.17% of the total soil Hg and is correlated with total Hg concentrations. Variations in release among size fractions suggested heterogeneous distribution of labile Hg species. Results indicated two distinct solubility regimes depending on solid-to-solution ratios. Dissolved organic matter enhanced Hg release, and time-dependent experiments showed that changes in mercury speciation could decrease dissolved Hg concentrations over time. Identifying conditions that promote Hg mobilization from contaminated soils improves our understanding of Hg fluxes into downstream environments. Key factors influencing mercury release include soil characteristics, water chemistry, and temporal changes in mercury speciation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Carbon and silicon background impurity control in undoped GaN layers grown with trimethylgallium and triethylgallium via metalorganic chemical vapor deposition

The unintentional impurity incorporation in GaN epitaxial layers impacts the electrical conductivity and optical properties of the films grown by metalorganic chemical vapor deposition (MOCVD). It is critical to control impurity-related states for device structure development. The aim of this work is to contribute to the understanding of the reasons for the presence of certain background impurities. In this paper, the unintentional impurity incorporation of carbon, hydrogen, oxygen, and silicon in undoped (u-) GaN films grown by low-pressure MOCVD were studied. Background impurity concentrations were evaluated by secondary ion mass spectroscopy (SIMS) to optimize growth parameters including V/III ratio, growth temperature (T g ), growth pressure (P g ), and gallium (Ga) precursors of trimethylgallium (TMG) or triethylgallium (TEG). Unintentional [C] and [Si] incorporations are found to be highly dependent on the growth parameters. Further, for the same growth conditions, u-GaN films grown with a TEG precursor exhibited a lower background concentration of C compared to that of GaN grown with TMG. However, the lowest background [C] achieved was grown with TMG using optimized conditions and exhibited [C]<4×10 15 cm -3 which was at the detection limit of the SIMS measurement. These results were measured for a u-GaN layer grown with TMG at 200 Torr, 1030°C, and a V/III of 3700. The lowest background [Si] of 4×10 15 cm -3 was achieved by growing with TMG at 200 Torr, 1000°C, and V/III of 650.

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

Probing electronic and dielectric properties of ultrathin Ga 2 O 3 /Al 2 O 3 atomic layer stacks made with in vacuo atomic layer deposition

Ultrathin (1–4 nm) films of wide-bandgap semiconductors are important to many applications in microelectronics, and the film properties can be sensitively affected by defects especially at the substrate/film interface. Motivated by this, an in vacuo atomic layer deposition (ALD) was developed for the synthesis of ultrathin films of Ga 2 O 3 /Al 2 O 3 atomic layer stacks (ALSs) on Al electrodes. It is found that the Ga 2 O 3 /Al 2 O 3 ALS can form an interface with the Al electrode with negligible interfacial defects under the optimal ALD condition whether the starting atomic layer is Ga 2 O 3 or Al 2 O 3 . Such an interface is the key to achieving an optimal and tunable electronic structure and dielectric properties in Ga 2 O 3 /Al 2 O 3 ALS ultrathin films. In situ scanning tunneling spectroscopy confirms that the electronic structure of Ga 2 O 3 /Al 2 O 3 ALS can have tunable bandgaps (E g ) between ~2.0 eV for 100% Ga 2 O 3 and ~3.4 eV for 100% Al 2 O 3 . With variable ratios of Ga:Al, the measured E g exhibits significant non-linearity, agreeing with the density functional theory simulation, and tunable carrier concentration. Furthermore, the dielectric constant of ultrathin Ga 2 O 3 /Al 2 O 3 ALS capacitors is tunable through the variation in the ratio of the constituent Ga 2 O 3 and Al 2 O 3 atomic layer numbers from 9.83 for 100% Ga 2 O 3 to 8.28 for 100% Al 2 O 3 . The high ε leads to excellent effective oxide thickness ~1.7–2.1 nm for the ultrathin Ga 2 O 3 /Al 2 O 3 ALS, which is comparable to that of high-K dielectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Highly tail-asymmetric lipids interdigitate and cause bidirectional ordering

Phospholipids form structurally and compositionally diverse membranes. A less studied type of compositional diversity involves phospholipid tail variety. Some phospholipids contain two acyl tails which differ in length. These tail-asymmetric lipids are shown to contribute to temperature sensitivity, oxygen adaptability, and membrane fluidity. Membranes of a highly virulent intracellular bacterium, Francisella tularensis, contain highly tail-asymmetric 1-lignoceroyl-2-decanoyl-sn-glycero-3-phosphatidylethanolamine (XJPE) lipids which were previously shown to inhibit inflammatory responses in host cells. XJPE tails have unusually high asymmetry, and how they contribute to membrane properties on a molecular level is unknown. Here, we use small angle X-ray scattering and molecular dynamics simulations to investigate how varying XJPE ratios alters properties of simple membranes. Our results demonstrate that at high concentration they promote liquid-to-gel transition in otherwise liquid membranes, while at low concentration they are tolerated well, minimally altering membrane properties. In liquid membranes, XJPE lipids dynamically adopt two main conformations; with the long tail extended into the opposing leaflet or bent-back residing in its own leaflet. When added to both leaflets XJPE primarily adopts an extended confirmation, while asymmetric addition results in more bent-back orientations. The former increases tail ordering and the latter decreases it. XJPE tails adopt different conformations that induce composition- and leaflet-dependent bidirectional effect on membrane fluidity and this suggests that Francisella tularensis could use tail asymmetry to facilitate vesicle fusion and destabilize host cells. The effect of tail-asymmetric lipids on complex membranes should be further investigated to reveal the regulatory roles of high tail asymmetry.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Probing O 2 dependence of hydroperoxy-butyl reactions via isomer-resolved speciation

Degenerate chain-branching mechanisms of n-alkanes are centered on the formation of hydroperoxy-alkyl radicals ($\dot{Q}$OOH), formed via $\dot{R}$ + O 2 reactions, and the ensuing competition between unimolecular decomposition and second-O 2 -addition. Quantitative measurements of partially oxidized intermediates formed via reactions of $\dot{Q}$OOH provide critical constraints that are required for accurate modeling of combustion chemistry. To examine the influence of temperature and oxygen concentration on intermediates from unimolecular decomposition of $\dot{Q}$OOH, isomer-resolved speciation measurements were conducted on n-butane oxidation at 835 Torr in a jet-stirred reactor (JSR) from 500 – 900 K. Resulting from negative-temperature coefficient behavior, cyclic ether formation peaked at two temperatures, 650 K and 800 K, which were selected for separate experiments to quantify the O 2 -dependence of species profiles using O 2 concentrations of 4.2 · 10 17 – 1.1 · 10 19 molecules cm –3 . Utilizing vacuum-ultraviolet absorption spectroscopy and electron-impact mass spectrometry, cyclic ether isomers were quantified separately, including explicit resolution of cis– and trans– isomers of 2,3-dimethyloxirane. Stereoisomers of 2-butene were also quantified explicitly. For all cyclic ethers, a common trend in O 2 -dependence emerged: species concentrations reach a maximum near 3.0 · 10 18 molecules cm –3 (equivalence ratio of 0.5). Although quantitative disparities are evident, chemical kinetics modeling qualitatively reproduces the O 2 dependence of species at 650 K. However, at 800 K, weak dependence on O 2 is predicted, which is in contrast with the measurements. Two carbonyls, diacetyl and methyl vinyl ketone, were also quantified and follow similar dependence on [O 2 ] and temperature as the cyclic ethers, which indicates some fraction forms via $\dot{Q}$OOH-mediated reactions. The discrepancies between the measured and model-predicted species profiles indicate that sub-mechanisms for important intermediates may require additional elementary reactions, including stereochemical-specific reactions, to improve the fidelity of n-alkane combustion modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

An Aluminum-Based Metal–Organic Cage for Cesium Capture

Metal–organic cages are a class of supramolecular structures that often require the careful selection of organic linkers and metal nodes. Of this class, few examples of metal–organic cages exist where the nodes are composed of main group metals. Herein, we have prepared an aluminum-based metal–organic cage, H 8 [Al 8 (pdc) 8 (OAc) 8 O 4 ] (Al-pdc-AA), using inexpensive and commercially available materials. The cage formation was achieved via solvothermal self-assembly of solvated aluminum and pyridine-dicarboxylic linkers in the presence of a capping agent, acetic acid. The obtained supramolecular structure was characterized by single-crystal X-ray diffraction (SCXRD), thermogravimetric analysis, and NMR spectroscopy. Based on crystal structure and computational analyses, the cage has a 3.7 Å diameter electron-rich cavity suitable for the binding of cations such as cesium (ionic radius of 1.69 Å). Here, the host–guest interactions were probed with 1 H and 133 Cs NMR spectroscopy in DMSO, where at low concentrations, Cs + binds to Al-pdc-AA in a 1:1 ratio. The binding site was identified from the crystal structure of CsH 7 [Al 8 (pdc) 8 (OAc) 8 O 4 ] (Cs + Al-pdc-AA), and a binding affinity of ~10 6 –10 7 M –1 was determined from NMR titration experiments. The Al-pdc-AA showed improved selectivity for cesium binding over alkali metal cations (Cs + > Rb + > K + >> Na + ~ Li + ). Collectively, the study reports a novel aluminum cage that can serve as a promising host for efficient and selective cesium removal.

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

Extraction of Nitric Acid and Uranium with DEHiBA under High Loading Conditions

We report the mechanism by which high concentrations (1.5 M in n-dodecane) of N,N-di-2-ethylhexylisobutyramide (DEHiBA) extracts HNO 3 and UO 2 (NO 3 ) 2 is under examination. Most prior studies have examined the extractant and the mechanism at a concentration of 1.0 M in n-dodecane, however under the higher loading conditions that can be achieved by a higher concentration of extractant this mechanism could change. Increased extraction of both nitric acid and uranium is observed with an increased concentration of DEHiBA. The mechanisms are examined by thermodynamic modeling of distribution ratios, 15 N NMR, and FTIR spectroscopy coupled with Principal Component Analysis (PCA). Speciation diagrams produced through thermodynamic modeling have been qualitatively reproduced through PCA of the FTIR spectra. The predominant extracted species of HNO 3 (DEHiBA), HNO 3 (DEHiBA) 2 , and UO 2 (NO 3 ) 2 (DEHiBA) 2 are in good agreement with prior literature reports for 1.0 M DEHiBA systems. Evidence for an additional species of either UO 2 (NO 3 ) 2 (DEHiBA) or UO 2 (NO 3 ) 2 (DEHiBA) 2 (HNO 3 ) also contributing to the extraction of uranium species is given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The optimal co-doping of SrFe 1-x Co x O 3-δ oxygen carriers in redox applications

Although the oxygen carrier SrCoO 3 has higher redox activity than SrFeO 3 , cobalt is both more expensive and scarcer than iron, which would hinder the wide implementation of SrCoO 3 . For these reasons, doping SrFeO 3 with Co is a potential compromise, benefitting the redox properties of SrFeO 3 , while still limiting the overall amount of cobalt being used. In this work, to find the optimal level of Co-doping, density functional theory calculations were performed to investigate the Co-doping effect on the oxygen vacancy formation and oxygen migration in SrFe 1- x Co x O 3- δ ( x = 0, 0.125, 0.25, 0.375, 0.5). Our findings show that the oxygen vacancy formation energies ( E f ) decrease with the increase of Co content resulting from the increased composition of the O-2p band at the Fermi level upon Co doping. In particular, the E f decreases nearly 0.5 eV between the x = 0 and x = 0.25 samples while E f only decreases 0.1 eV further as Co content is increased to x = 0.5. We obtain that x = 0.25 is an optimal cost/benefit ratio for Co doping, which is preserved at both low oxygen vacancy concentrations ( δ = 0.0625 values listed above) and at high concentrations of δ = 0.1875 and 0.375. Kinetically, the oxygen migration barrier has slight change upon Co doping due to the similar size of Co and Fe. Therefore, considering both redox activity and economics in reversible oxygen storage applications, x = 0.25 is suggested as the optimal Co-doping value in SrFe 1- x Co x O 3- δ .

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

Final Report for FE0032098: Improving the cost-effectiveness of algal CO2 utilization by synergistic integration with power plant and wastewater treatment operations

The overall goal of this project was to demonstrate an engineering-scale open raceway pond algae cultivation system (approximately 180 m²), including the integration of technologies that utilized carbon dioxide (CO₂) from a coal-fired power plant and wastewater-derived nutrient inputs for cost-effective and environmentally friendly biomass production. The key advantages associated with the innovative algae cultivation system and its integration with wastewater treatment functions, as described herein, had been demonstrated in previous bench- and pilot-scale work by the project team partners. This project combined those approaches to maximize practical benefits and available synergies, resulting in a significant reduction in the net cost of producing algal biomass products. The primary target algal species for the project was Spirulina, which served as a high-protein content ingredient for food and animal feed. Spirulina was selected because it had already been approved by the FDA, was in use as a food ingredient, and commanded prices of up to $30/kg. It had a typical protein content of 50–75%, comparable to other high-protein concentrates, featured high digestibility without requiring pretreatment, and offered a high conversion ratio in animal feed applications. In addition, Spirulina had a relatively high content of the blue pigment phycocyanin, which could be extracted as a high-value co-product prior to using the remaining biomass for nutritional purposes.

Schideman, Lance [University of Illinois]↗