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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Evaluation of two extraction chromatography resins for scandium and titanium separation for medical isotope production

Scandium-47 ( 47 Sc) can be used in nuclear medicine as a therapeutic-diagnostic, or "theragnostic," radioactive medical isotope for cancer detection and treatment. The 47 Sc isotope can be produced through the photonuclear reaction 48 Ti(γ,p) 47 Sc by irradiating enriched 48 Ti target material. The enriched target material necessary for production is costly; 48 TiO 2 costs ~ $\$$1550/g, and targets can be > 50 g ($\$$77,500) to produce medically relevant amounts of 47 Sc. In order to keep costs low, a highly efficient separation of scandium from bulk titanium is desired, along with efficient methods for recycling the target material. Here this research is focused on evaluating efficient methods for the separation of scandium from bulk quantities of titanium using commercially available diglycolamide-based and hydroxamate-based extraction chromatography resins (DGA resin and ZR resin, respectively). The sorption of 47 Sc and Ti on these resins were investigated at varying concentrations of HNO 3 , HCl, H 2 SO 4 , and HF to explore how they might be used in a large-scale production/processing setting.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Stacked target irradiations and radiochemical separations for simultaneous production of short-lived Ni and Ir isotopes

A method was developed for simultaneous production of neutron-deficient Ni and Ir isotopes by irradiation of stacked targets with a 50.5 MeV proton beam, followed by radiochemical separations to remove excess target material. The target, irradiation configuration, and post-irradiation radiochemical separations were developed and tested in a proof-of-principle irradiation. Radiochemical yields and purity of the products are discussed. Finally, the stacked target method, developed herein, can be used to produce other isotope pairs with appropriate beam tailoring.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Extraction and separation of rare earth elements using LN resins in hydrochloric acid

The separation of the rare earth elements is essential for numerous scientific applications but remains a significant challenge due to the nearly identical chemical properties of the adjacent lanthanide elements. Eichrom’s LN series of extraction chromatographic resins feature organophosphorus extractants and are widely used to achieve adjacent lanthanide separations. While extensive characterization of these resins has been completed for nitric acid matrices, the use of hydrochloric acid is preferred for a variety of applications. Further, the extraction of the rare earth elements, La–Lu and Y, has been characterized on LN and LN2 resins in hydrochloric acid via batch uptake and column chromatographic studies.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Ozonolysis of selenium: an alternative oxidation method for radiochemical separations of arsenic and selenium

Many arsenic and selenium radiochemical separation methods use hydrogen peroxide (H 2 O 2 ) to oxidize selenite (Se(IV)) to selenate (Se(VI)), but this reaction is challenging to control and replicate. Here, this study introduces a simple ozonolysis apparatus with an in-line oxygen-ozone generator and impinger system for rapid selenium oxidation in aqueous samples as an alternative to H 2 O 2 . The system quickly converts Se(IV) to Se(VI), enabling successful separations of arsenic-73 and selenium-75 with high recoveries using ion-exchange chromatography (1-X8). Compared to traditional H 2 O2 treatment, ozone oxidation is a faster and more easily controlled method for selenium redox chemistry.

and nuclear chemistry↗
DOE OSTI2026

Analysis of an irradiated uranium sample for source attribution without chemical separation using microplasma ionization and ultrahigh resolution mass spectrometry

The use of element isotope ratios has great potential in not only determining the reactor type used to produce plutonium (Pu) but also in determining the burnup and the time since irradiation. While a powerful nuclear forensic technique, determining element isotope ratios is complicated by severe isobaric interferences when performed on typical inductively coupled plasma mass spectrometers. Such analyses require extensive chemical separations prior to analysis to alleviate the inter-elemental isobars. Ultrahigh mass resolution spectrometry provides a potential alternative, greatly reducing the complexity of sample preparation and turnaround times for these critical measurements. To demonstrate the power of the approach, a sample of irradiated, depleted uranium was analyzed with the liquid sampling—atmospheric pressure glow discharge ion source coupled to an Orbitrap mass spectrometer. The Orbitrap is augmented with an external data acquisition system, Spectroswiss’s FTMS-Booster X2T, allowing collection of extended ion transients, providing higher mass resolution. In using this approach, the 150 Sm/ 149 Sm and 152 Sm/ 149 Sm isotope ratios were found to be within 20% of predicted values without any chemical separations and without mass bias corrections. In addition, the 240 Pu/ 239 Pu isotope ratio was determined, free from the 238 UH + interferences common to the ICP-MS platforms, while at the same time allowing for the determination of U isotopic signatures. While these demonstrative results are from a single sample, the advantages of the microplasma/ultrahigh mass resolution approach to intra-element isotope ratio determinations are clear.

Fuel burnup↗
DOE OSTI2021

Traction-separation response of bilayer graphene interfaces: The role of an intercalated single atomic layer of water molecules and hydroxyl groups

Molecular dynamics simulations of the normal and shear traction-separation response of dry and wet bilayer graphene interfaces were performed. The influence of a single, atomic layer of water molecules sandwiched between graphene layers and hydroxyl functionalization on one or both layers were investigated. Hydroxyl groups provided a shielding effect during normal separation while favoring stick-slip friction under sliding conditions. The single, atomic layer of water molecules confined between hydrophilic and asymmetric hydrophobic/hydrophilic surfaces was found to ease sliding friction. The mechanisms arose from the balance between the attractive and repulsive graphene/water interactions through bridges of single water molecules between the two surfaces and the structure of the water monolayer under confinement for which an out-of-plane water/water hydrogen bond network could not be developed. The single, atomic layer of water molecules reduced the sliding friction the most when both surfaces were hydrophilic and lowered the sliding friction of the asymmetric hydrophobic/hydrophilic interfaces to that when both surfaces were hydrophobic. An optimal hydroxyl surface coverage of less than 10% may exist for efficient water lubrication, with diminishing effect with increasing number of hydroxyl groups. Finally, the findings offer a design strategy for assembling bilayer graphene interfaces with tailored friction and sliding contact properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A parametric approach to identify synergistic domains of process intensification for reactive separation

Process intensification aims to combine multiple tasks within multi-functional units to drastically improve economic, energy or sustainability metrics of a chemical process. Limited work exists to systematically identify the synergistic domains where intensification outperforms its nonintensified counterpart. In this work, we computationally derive the synergistic domains of a reactive separation system. Specifically, we first postulate general models for both intensified and nonintensified systems. We use these models to generate data to train a ReLU-type artifical neural network (ANN). Further, the trained ReLU-NN model is formulated as a multi-parametric mixed-integer linear program (mp-MILP), and the critical regions of this mp-MILP define the synergistic feasible domains of intensification. We have derived these synergistic domains of vapor–liquid equilibrium (VLE)-based reactive separation for several industrial applications. These synergistic domains enable quick screening of properties that favor intensification.

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

A fully light-driven approach to separate carbon dioxide from emission streams

Carbon capture from industrial point sources is an essential component of the global effort to mitigate climate risks. However, traditional approaches require significant energy input—often provided, counterproductively, by fossil fuel combustion. Using sunlight directly as the energy source would significantly improve the energy efficiency of carbon capture processes. Herein, we report the first fully visible-light-driven CO 2 separation system, in which carbon capture is achieved via the photoenolization/addition reaction of inexpensive 2-methylbenzophenone with CO 2 , and CO 2 release is realized through an intramolecular photodecarboxylation reaction. Finally, this system operates isothermally, works with natural sunlight, and facilitates CO 2 removal from natural gas flue emissions, providing a blueprint for other non-thermal chemical separations.

Ahmad, Bayu I. Z. [Cornell Univ., Ithaca, NY (Unit↗
DOE OSTI2026

Separation of radium and actinium in acetic acid/acetate solutions using TK101 resin

Here, the uptake and elution behavior of Ra and Ac was studied on TK101 resin using acetic acid and acetate buffer (acetic acid/lithium acetate) solutions. There is high extraction of Ra (>10 3 ) over a wide range of acetic acid concentrations (0.02 to 4 M) with slightly lower extraction (>10 2 ) in the acetate buffer solutions (pH 3.9 to 5.6). The Ac extraction is considerably lower with a maximum D w of ∼100, and negligible extraction at high acetic acid concentrations (> 1 M) and in the acetate buffer solutions. The difference in D w can be leveraged for highly efficient separations of Ac from Ra, with no detectable Ra in the Ac fractions and high Ac yields (∼100%). These separations may be useful for radiopharmaceutical applications as the Ac purity is extremely high and the elution conditions can be optimized to be biologically safe and appropriate for chelation to molecules relevant to targeted alpha therapy.

and nuclear chemistry↗
DOE OSTI2026

Direct regeneration of degraded LiFePO4 cathodes via a separator-enabled prelithiation strategy

A persistent challenge in lithium-ion batteries is the loss of active lithium due to the solid electrolyte interphase (SEI) formation and associated side reactions. While prelithiation employing lithium replenishment separator (LRS) has been proven effective in compensating for lithium loss, previous studies have largely been accompanied by gas evolution or solid residue formation during the prelithiation process. To surmount this challenge, we present a LRS based on 4-fluoro-1,2-dihydroxybenzene lithium salt (LiDF), capable of mitigating lithium loss while producing decomposition products that integrate directly into the electrolyte as functional additives which can assist with the stability of the SEI, free from gas or solid formation, thus establishing a sustainable and environmentally benign strategy for lithium compensation. Incorporation of the LRS enables the pristine LiFePO4||graphite (Gr) full cell to achieve 10.8% higher capacity than the cell with a polypropylene separator (PPS) after 200 cycles at 0.5C. Remarkably, the degraded LiFePO4 (D-LFP)||Gr full cell with the LRS exhibits a 135.8% capacity improvement over the PPS-based cell after 500 cycles. These findings establish the LRS as a powerful approach for both boosting high-performance lithium-ion batteries and recovering the capacity of degraded batteries.

Tao, Fujun↗
DOE OSTI2023

Class-based separations of mixed solid–liquid systems with condensable solvent washing and extraction: The dilemma of pizza box recycling

As primary feedstocks deplete across the world, raw material extraction becomes increasingly expensive. Awareness of the environmental impact of primary extraction has motivated the development of energy- and reagent-efficient methods for material reuse. This work confronts an emblematic challenge of modern recycling: the soiled pizza box. While the fibers constituting corrugated cardboard are generally recyclable, pizza contaminants such as sauces and oils complicate their reuse, resulting in municipal prohibitions on the recycling of used pizza boxes in cardboard recycling streams and a representative of 275 kg/year per US household of food waste that is directed to landfill. This challenge is common to many materials, and engineering strategies must be developed to tackle complex/mixed feedstocks. To address the mixed composition of the pizza box (and similar materials), an environmentally benign, non-toxic organic solvent is applied to remove and fractionate components from mixed materials. The solvent employed in this process, dimethyl ether (DME), is a condensable hygroscopic gas, which facilitates its removal and recovery for reuse. Further, the results of this study indicate that 1) DME is capable of solubilizing and extracting components from soiled cardboard and other materials, (resulting in cardboard drier than new/unused cardboard) facilitating its recycling, and 2) the DME-soluble components of the system phase separate into aqueous and fatty acid/oil fractions (potentially ~27.5 kg/year per US household). Condensable solvent-driven washing and extraction enable the efficient separation of multiple intermediate product streams, suggesting a pathway to enable technology development necessary for achieving clean production in a circular economy.

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

Numerical evaluation of photosensitive tracers as a strategy for separating surface and subsurface transient storage in streams

For this work, we numerically evaluated photosensitive tracers as a potential strategy for separating the effects of surface and hyporheic storage zones (SSZs and HSZs, respectively) on stream corridor transport. Correctly separating HSZ and SSZ effects is critical to estimating the hydro-biogeochemical function of a stream because HSZs and SSZs expose solutes to significantly different biogeochemical conditions, like sunlight exposure, microbial processes, and oxygen availability. Our numerical experiments used a multiscale river-corridor transport model implemented in the ATS code, which accommodates multiple storage zones with distinct travel time distributions and biogeochemical reactions. For parameter inferences, we used Bayesian inverse modeling. We found that breakthrough curves for photo-decaying tracers from day and night injection can delineate surface and hyporheic transient storage contributions, but only when interpreted jointly through a two-storage zone model. Numerical experiments that used only daytime injection or interpreted breakthrough curves with a single storage zone model yielded good fit to breakthrough curves, but parameter estimates were biased and controlling processes misattributed, examples of good model fits for the wrong reasons. Using those biased parameter estimates in reactive transport simulations resulted in significantly different projections of denitrification, which underscores the potential for stream function to be mischaracterized if tracer tests are interpreted through an inappropriately simplified model for transient storage. More generally, this study highlights the role of modeling in evaluating the experimental design and identifying the potential of system mischaracterization and its implications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Accelerating nuclear fuel development and qualification: Modeling and simulation integrated with separate-effects testing

In this work, an approach to transform and accelerate nuclear fuel development and qualification is outlined. The approach exploits advanced modeling and simulation at the outset to inform constituent and system selection and to enable integral fuel performance analyses. Analyses using these tools identify and prioritize the most important fuel performance parameters and phenomena for subsequent targeted characterization with separate-effects tests. Separate-effects testing spans out-of-pile and in-pile tests and is meant to iterate with and inform engineering-scale integral fuel performance analyses throughout the development process. Exercising this cycle in an agile fashion will increase confidence in the integral fuel performance predictions while reducing uncertainties. This process sets the stage for executing a much more limited set of well-defined integral irradiation tests designed to validate engineering-scale fuel performance codes and to confirm the performance and safety of the fuel system under prototypic conditions. This approach will reduce the time for development and qualification of a new fuel system, and it will also reduce associated costs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Fast charging of Li-ion cells: Effect of separator membranes and mapping of “safe lines” to avoid Li plating

An experimental method is introduced that uses microprobe Li/Cu reference electrodes to map "safe" charging regimes to avoid Li metal plating on graphite anodes at rates to 8C. With this method, a Li-ion cell closely approaches the Li plating condition but avoids descending into this regime. This "safe" approach is used to demonstrate effects of the microporous separator on Li plating in cells consisting of a layered nickel-manganese -cobalt oxide cathode and graphite anode. We argue that most of the difference in behaviors for different separators arises from time delayed Li + ion percolation through the membrane. In conclusion, our study suggests that explicitly treating kinetics of phase transitions in the lithiated graphite anode is essential for electrochemical models predicting "safe" lines for fast charging cells.

25 ENERGY STORAGE↗
DOE OSTI2023

Coarse-grained methods for heterogeneous vesicles with phase-separated domains: Elastic mechanics of shape fluctuations, plate compression, and channel insertion

We develop coarse-grained particle approaches for studying the elastic mechanics of vesicles with heterogeneous membranes having phase-separated domains. We perform simulations both of passive shape fluctuations and of active systems where vesicles are subjected to compression between two plates or subjected to insertion into narrow channels. Analysis methods are developed for mapping particle configurations to continuum fields with spherical harmonics representations. Heterogeneous vesicles are found to exhibit rich behaviors where the heterogeneity can amplify surface two-point correlations, reduce resistance during compression, and augment vesicle transport times in channels. The developed methods provide general approaches for characterizing the mechanics of coarse-grained heterogeneous systems taking into account the roles of thermal fluctuations, geometry, and phase separation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Highly permeable polyethersulfone substrates with bicontinuous structure for composite membranes in CO 2 /N 2 separation

Substrate morphology has a significant effect on the CO 2 transport performance of a thin-film composite (TFC) membrane. In this study, a new mixed solvent comprising 2-pyrrolidone (2-PD) and 2-methoxyethanol (2-ME) was used to prepare polyethersulfone (PES) substrates with bicontinuous structure by water vapor-induced phase separation, followed by immersion in water as nonsolvent. Here, compared with the commonly used solvent, N-methyl-2-pyrrolidone (NMP), the 2-PD/2-ME mixed solvent is more hydrophilic and can decrease the thermodynamic stability of the casting solution significantly. As a result, the phase separation was induced via the spinodal decomposition mechanism. The open morphology bestowed the optimized substrate with a very high CO 2 permeance of 133,226 ± 3,870 GPU (1 GPU = 10 –6 cm 3 (STP) s –1 cm –2 cmHg –1 = 3.3464 × 10 -9 kg-mol s –1 m –2 Pa –1 ), which was 5 times more permeable than the baseline substrate synthesized with NMP. By using this new substrate, the prepared TFC membrane containing amines showed an increased CO 2 permeance of 908 ± 8 GPU at 57°C, which was 48 GPU higher than that with the baseline substrate. Meanwhile, the CO 2 /N 2 selectivity was retained at 162 ± 4 at 57°C. In addition, the good scalability of the new PES substrate was demonstrated by roll-to-roll fabrication of a 50' long scale-up PES substrate with a width of 21".

2-Pyrrolidone↗
DOE OSTI2026

Electron/hadron separation with the TRD based on GaAs pixel detectors

Transition Radiation Detectors (TRDs) are widely used for particle identification in both high-energy physics and astroparticle physics. They are typically equipped with gaseous detectors. The main limitation of these types of detectors is that TR photons and ionization losses cannot be decoupled, which significantly reduces the particle separation power. Recent advancements in the development of pixel detectors based on GaAs sensors offer a unique opportunity to effectively detect TR photons and separate them from ionization losses. Such detectors represent novel devices that combine precise tracking capabilities with particle identification (PID) properties. The present work is dedicated to an experimental study of particle identification properties of the TRD prototype based on 500 μ m-thick GaAs sensor bonded to a Timepix3 chip. Studies were performed at the CERN SPS and it was shown that at a particle momentum of 20 GeV/c, the probability of misidentifying a hadron as an electron is below 10 −2 for an electron detection efficiency of 98%–99%, and it is 1 . 6⋅10 −4 for electron detection efficiency of 90%. This performance surpasses the electron/hadron rejection power of all known TRDs by an order of magnitude for the same detector length.

GaAs detectors↗
DOE OSTI2021

Extraction and separation of iridium(Ⅳ) and rhodium(Ⅲ) from hydrochloric acid media by a quaternary ammonium-based hydrophobic eutectic solvent

We report the extraction and separation of iridium(IV) and rhodium(III) from hydrochloric acid solutions by a hydrophobic eutectic solvent composed of tetraheptylammonium chloride and decanoic acid have been studied for the first time. This eutectic solvent selectively extracts iridium(IV) over rhodium(III), the highest separation factor obtained is approximately 20. The effects of the main experimental factors (shaking time, the volume ratio of aqueous to organic phase, hydrochloric acid concentration, and the initial metal concentration in the aqueous phase) on the extraction behavior of iridium(IV) and rhodium(III) have been investigated. Ultraviolet–visible (UV–Vis) spectroscopy was applied to reveal the [IrCl 6 ] 2- complex to be a predominant species attributed to iridium(IV) extraction. To understand the underlying extraction mechanism, the initial iridium(IV) concentration in the aqueous phase has been varied and a corresponding mathematical model has been developed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗