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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A green closed-loop process for selective recycling of lithium from spent lithium-ion batteries

As the economy started to recover from the COVID pandemic, the price of Li 2 CO 3 skyrocketed to its highest. This situation has aggravated concerns about the supply chain for lithium-ion batteries (LIBs). Recycling spent LIBs is a potential solution to alleviate the bottleneck of the supply chain and prevent environmental pollution, and has attracted lots of attention. However, lithium recycling is generally disregarded because of the complex recycling process and its low recycling efficiency. Here, in this work we developed a sustainable lithium recovery process, which can selectively leach and recover lithium with formic acid before recycling valuable metals. With the reported method, lithium can be 99.8% recovered from layered oxide cathode materials with 99.994% purity. In addition, this lithium recovery process is affordable, compared to the typical hydrometallurgical process, by saving 11.15% per kilogram of spent LIBs. Therefore, this research provided a new solution to eliminating the effects of lithium ions on valuable metal separation and the co-precipitation reaction and precluding the influence of other metal ions on lithium recovery. Finally, this simplified lithium recovery process provides new opportunities for sustainable recycling of LIBs and economical restoration of the lithium supply chain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

A New Cell-Centered Implicit Numerical Scheme for Ions in the 2-D Axisymmetric Code Hall2de

We present a new algorithm in the Hall2De code to simulate the ion hydrodynamics in the acceleration channel and near plume regions of Hall-effect thrusters. This implementation constitutes an upgrade of the capabilities built in the Hall2De code. The equations of mass conservation and momentum for unmagnetized ions are solved using a conservative, finite-volume, cell-centered scheme on a magnetic-field-aligned grid. Major computational savings are achieved by making use of an implicit predictor/multi-corrector algorithm for time evolution. Inaccuracies in the prediction of the motion of low-energy ions in the near plume in hydrodynamics approaches are addressed by implementing a multi-fluid algorithm that tracks ions of different energies separately. A wide range of comparisons with measurements are performed to validate the new ion algorithms. Several numerical experiments with the location and value of the anomalous collision frequency are also presented. Differences in the plasma properties in the near-plume between the single fluid and multi-fluid approaches are discussed. We complete our validation by comparing predicted erosion rates at the channel walls of the thruster with measurements. Erosion rates predicted by the plasma properties obtained from simulations replicate accurately measured rates of erosion within the uncertainty range of the sputtering models employed.

electric propulsion↗
DOE OSTI2020

Ion-specific clustering of metal-amphiphile complexes in rare earth separations

The nanoscale structure of a complex fluid can play a major role in the selective adsorption of ions at the nanometric interfaces, which is crucial in industrial and technological applications. Here we study the effect of anions and lanthanide ions on the nanoscale structure of a complex fluid formed by metal-amphiphile complexes, using small angle X-ray scattering. The nano- and mesoscale structures we observed can be directly connected to the preferential transfer of light (La and Nd) or heavy (Er and Lu) lanthanides into the complex fluid from an aqueous solution. While toluene-based complex fluids containing trioctylmethylammonium-nitrate (TOMA-nitrate) always show the same mesoscale hierarchical structure regardless of lanthanide loading and prefer light lanthanides, those containing TOMA-thiocyanate show an evolution of the mesoscale structure as a function of the lanthanide loading and prefer heavy lanthanides. The hierarchical structure indicates the presence of attractive interactions between ion-amphiphile aggregates, causing them to form clusters. A clustering model that accounts for the hard sphere repulsions and short-range attractions between the aggregates has been adapted to model the X-ray scattering results. The new model successfully describes the nanoscale structure and helps in understanding the mechanisms responsible for amphiphile assisted ion transport between immiscible liquids. Accordingly, our results imply different mechanisms of lanthanide transport depending on the anion present in the complex fluid and correspond with anion-dependent trends in rare earth separations.

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

Aqueous Interfaces in Chemical Separations

Chemical separations play a vital role in refinery and reprocessing of critical materials, such as platinum group metals, rare earths, and actinides. The choice of separation system─whether it is liquid–liquid extraction (LLE), sorbents, or membranes─depends on specific needs and applications. In almost all separation processes, the desired metal ions adsorb or transfer across an aqueous interface, such as the solid/liquid interface in sorbents or oil/water interfaces in LLE. Despite these separation technologies being extensively used for decades, our understanding of the molecular-scale mechanisms governing ion adsorption and transport at interfaces remains limited. This knowledge gap presents a significant challenge in meeting the increasing demands for these critical materials due to their growing use in advanced technologies. Fortunately, recent advancements in surface-specific experimental and computational techniques offer promising avenues to bridge this gap and facilitate the development of next-generation separation systems. Interestingly, unanswered questions regarding interfacial phenomena in chemical separations hold great relevance to various fields, including energy storage, geochemistry, and atmospheric chemistry. Therefore, the model interfacial systems developed for studying chemical separations, such as amphiphilic molecules assembled at a solid/water, air/water, or oil/water interface, may have far-reaching implications, extending beyond separations and opening doors to addressing a wide range of scientific inquiries. This perspective discusses recent interfacial studies elucidating amphiphile–ion interactions in chemical separations of metal ions. Finally, these studies provide direct, molecular-scale information about solute and solvent behavior at aqueous interfaces, including multivalent and complex ions in highly concentrated solutions, which play key roles in LLE of critical materials.

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

Toward a Photomagnetic Mechanism for f-element separations (Final Technical Report)

The intent behind this proposal was to evaluate magnetic field effects of rare-earth ions on radical pairs. Rare-earth ions are notoriously challenging to separate based on similar thermodynamic characteristics (e.g. solubility) or ion radius, whereas magnetism varies starkly from rare-earth to rare-earth, even when ions are immediately adjacent on the periodic table. Magnetism could be a useful property then for separations, but a mechanism that is effective and selective for magnetic characteristics must be produced. A reactive mechanism for separations could likewise be interesting for selective separations, if a magnetic handle for such a separation could be defined. This proposal sought to understand a specific reactive, magnetic handle for a reactive separations scheme by creating proof of concept model complexes that place rare earths in proximity to photochemically active functional groups.

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

Developing reactors for electrifying bio-methanation: a perspective from bio-electrochemistry

The integration of microbial synthesis with renewable electricity is an emerging route for both CO 2 utilization and seasonal energy storage in the form of stored bio-electrofuels. The major benefits of electrifying bioreactors include: using highly selective bio-catalysts for CO 2 conversion under mild reaction conditions; decoupling the production of more facile electrochemical intermediates, such as hydrogen, at the electrode from the production of bio-catalyzed multi-electron and/or carbon products, such as methane or acetate; using microbes as robust and self-regenerating catalysts enabling higher efficiency and durability in CO 2 conversion systems compared to inorganic catalysis. In this Perspective, we propose research aimed at developing electro-bioreactor components that will increase the productivity of the reactor while maintaining high energy efficiency and biocompatible reaction conditions to fully realize the benefits of electrified bioreactors. Furthermore, these developments include: flow reactors with tailored 3D electrodes to optimally use the reactor volume, electrocatalysts designed for peak performance in neutral pH electrolytes, high conductivity microbial media, and new membrane separator materials with high ion conductivity and low gas permeability. Production of methane via a hybrid electrical-biological approach is taken as a case study to motivate these developments. Finally, an iterative design–manufacture–test cycle, enabled by additive manufacturing and 3D printing technologies, is proposed to rapidly prototype components prior to large-scale manufacturing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Solar Particle Induced Upsets in the TDRS-1 Attitude Control System RAM During the October 1989 Solar Particle Events

The three large solar particle events, beginning on October 19, 1989 and lasting approximately six days, were characterized by high fluences of solar protons and heavy ions at 1 AU. During these events, an abnormally large number of upsets (243) were observed in the random access memory of the attitude control system (ACS) control processing electronics (CPE) on-board the geosynchronous TDRS-1 (Telemetry and Data Relay Satellite). The RAM unit affected was composed of eight Fairchild 93L422 memory chips. The Galileo spacecraft, launched on October 18, 1989 (one day prior to the solar particle events) observed the fluxes of heavy ions experienced by TDRS-1. Two solid-state detector telescopes on-board Galileo, designed to measure heavy ion species and energy, were turned on during time periods within each of the three separate events. The heavy ion data have been modeled and the time history of the events reconstructed to estimate heavy ion fluences. These fluences were converted to effective LET spectra after transport through the estimated shielding distribution around the TDRS-1 ACS system. The number of single event upsets (SEU) expected was calculated by integrating the measured cross section for the Fairchild 93L422 memory chip with average effective LET spectrum. The expected number of heavy ion induced SEU's calculated was 176. GOES-7 proton data, observed during the solar particle events, were used to estimate the number of proton-induced SEU's by integrating the proton fluence spectrum incident on the memory chips, with the two-parameter Bendel cross section for proton SEU'S. The proton fluence spectrum at the device level was gotten by transporting the protons through the estimated shielding distribution. The number of calculated proton-induced SEU's was 72, yielding a total of 248 predicted SEU'S, very dose to the 243 observed SEU'S. These calculations uniquely demonstrate the roles that solar heavy ions and protons played in the production of SEU's during the October 1989 solar particle events.

Croley, D. R.↗
DOE OSTI2021

Selective sulfidation of metal compounds

There is urgent, unprecedented demand for critical by-product and co-product metallic elements for the infrastructure (magnets, batteries, catalysts and electronics) needed to power society with renewable electricity1,2,3. However, the extraction of d-block and f-block metals from mineral and recycled streams is thermodynamically difficult, typically requiring complete dissolution of the materials, followed by liquid–liquid separation using metal-ion complexing or chelating behaviour4,5. The similar electronic structure of these metals results in poor separation factors, necessitating immense energy, water and chemicals consumption6,7,8. Here a metal-processing approach based on selective anion exchange is proposed. Several simple process levers (gas partial pressure, gas flowrate and carbon addition) are demonstrated to selectively sulfidize a target metal from a mixed metal-oxide feed. The physical and chemical differences between the sulfide and oxide compounds (for example, density, magnetic susceptibility and surface chemistry) can then be exploited for vastly improved separation compared with liquid–liquid methods9. The process conditions of sulfidation are provided for 56 elements and demonstrated for 15 of them. An assessment of the environmental and economic impacts suggests a path towards 60–90% reductions in greenhouse gas emissions while offering substantial capital cost savings compared with liquid–liquid hydrometallurgy.

36 MATERIALS SCIENCE↗
NASA NTRS2009

A Review of State-of-the-Art Separator Materials for Advanced Lithium-Based Batteries for Future Aerospace Missions

As NASA embarks on a renewed human presence in space, safe, human-rated, electrical energy storage and power generation technologies, which will be capable of demonstrating reliable performance in a variety of unique mission environments, will be required. To address the future performance and safety requirements for the energy storage technologies that will enhance and enable future NASA Constellation Program elements and other future aerospace missions, advanced rechargeable, lithium-ion battery technology development is being pursued with an emphasis on addressing performance technology gaps between state-of-the-art capabilities and critical future mission requirements. The material attributes and related performance of a lithium-ion cell's internal separator component are critical for achieving overall optimal performance, safety and reliability. This review provides an overview of the general types, material properties and the performance and safety characteristics of current separator materials employed in lithium-ion batteries, such as those materials that are being assessed and developed for future aerospace missions.

Bladwin, Richard S.↗
DOE OSTI2022

Synthesis, crystal structure and magnetic properties of K Ln Se 2 ( Ln = La, Ce, Pr, Nd) structures: A family of 2D triangular lattice frustrated magnets

Here, we report the detail synthesis, single crystal structure characterization and magnetic properties of KLnSe 2 series obtained via solid state molten flux growth method. The crystal structures were characterized using single crystal x-ray diffraction. The KLnSe 2 (Ln = La, Ce, Pr and Nd) series crystallizes in the trigonal crystal system with the space group of R-3m (No. 166). The overall structure contains two-dimensional (2D) layers made from edged shared LnSe 6 -octahedra. Ln 3+ ions form a perfect triangular magnetic lattice which propagates along ab-plane. These triangular lattices are separated by the K + ions. The magnetic properties confirm that, Ce, Pr and Nd do not show any long-range ordering down to 0.4 K indicating frustrated magnetism in the KLnSe 2 series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Inference of the ring current ion composition by means of charge exchange decay

The analysis of the measured ion fluxes during the several day storm recovery period and the assumption that beside hydrogen other ions were present and that the decays were exponential in nature, it was possible to establish three separate lifetimes for the ions. These fitted decay lifetimes are in excellent agreement with the expected charge exchange decay lifetimes for H(+), O(+), and He(+) in the energy and L-value range of the data. This inference technique, thus, establishes the presence of measurable and appreciable quantities of oxygen and helium ions as well as protons in the storm-time ring current. Indications that He(+) may also be present under these same conditions were found.

Smith, P. H.↗
DOE OSTI2022

Functionalization of Electrodes with Tunable [EMIM] x [Cl] x +1 – Ionic Liquid Clusters for Electrochemical Separations

Functionalization of electrodes with clusters of hydrophobic molecules may improve the energy efficiency and selectivity of electrochemical separations by modulating the desolvation process occurring at the interface. Ionic liquids (IL), which have a broad range of compositions and properties, are potential candidates for controlling the transport, desolvation, and adsorption of target ions at electrochemical interfaces. We report a joint experimental and theoretical investigation of the structure, stability, and selective adsorption properties of the IL clusters 1-ethyl-3-methylimidazolium chloride [EMIM] x [Cl] x+1 - (x = 1 – 10) and demonstrate their ability to adsorb and separate ions from solution. The structure and stability of the IL clusters are determined experimentally using high-mass-resolution electrospray ionization mass spectrometry, collision-induced dissociation, and negative ion photoelectron spectroscopy. Global optimization theory and ab initio molecular dynamics simulations provide molecular-level insight into the bonding and structural fluxionality of these species. Ion soft landing is used to selectively functionalize the surface of highly oriented pyrolytic graphite (HOPG) working electrodes with [EMIM] 1 [Cl] 2 - , [EMIM] 3 [Cl] 4 - , and [EMIM] 5 [Cl] 6 - clusters. Kelvin probe microscopy provides insight into the relative stability of the clusters on HOPG and their effect on the work function of IL-functionalized electrodes. Cyclic voltammetry measurements reveal irreversible adsorption of Fe(CN) 6 4-/3- anions during redox cycling, while electrochemical impedance spectroscopy indicates a substantial decrease in the electron transfer resistance of the IL-functionalized electrodes due to adsorption of Fe(CN) 6 4-/3- . Overall, our findings demonstrate that IL clusters with different size and stoichiometry may be used to increase the efficiency of electrochemical separations, opening new horizons in selective electrode functionalization.

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

Origin of Unusual Acidity and Li+ Diffusivity in a Series of Water-in-Salt Electrolytes.

Superconcentrated aqueous electrolytes ("water-in-salt" electrolytes, or WiSEs) enable various aqueous battery chemistries beyond the voltage limits imposed by the Pourbaix diagram of water. However, their detailed structural and transport properties remain unexplored and could be better understood through added studies. Here, we report on our observations of strong acidity (pH 2.4) induced by lithium bis(trifluoromethane sulfonyl)imide (LiTFSI) at superconcentration (at 20 mol/kg). Multiple nuclear magnetic resonance (NMR) and pulsed-field gradient (PFG) diffusion NMR experiments, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations reveal that such acidity originates from the formation of nanometric ion-rich structures. The experimental and simulation results indicate the separation of water-rich and ion-rich domains at salt concentrations >= 5 m and the acidity arising therefrom is due to deprotonation of water molecules in the ion-rich domains. As such, the ion-rich domain is composed of hydrophobic -CF3 (of TFSI-) and hydrophilic hydroxyl (OH-) groups. At 20 m concentration, the tortuosity and radius of water diffusion channels are estimated to be similar to 10 and similar to 1 nm, respectively, which are close to values obtained from hydrated Nafion membranes that also have hydrophobic polytetrafluoroethylene (PTFE) backbones and hydrophilic channels consisting of SO3- ion cluster networks providing for the transport of ions and water. Thus, we have discovered the structural similarity between WiSE and hydrated Nafion membranes on the nanometer scale.

Han, Kee Sung↗
NASA NTRS2010

Battery Separator Characterization and Evaluation Procedures for NASA's Advanced Lithium-Ion Batteries

To address the future performance and safety requirements for the electrical energy storage technologies that will enhance and enable future NASA manned aerospace missions, advanced rechargeable, lithium-ion battery technology development is being pursued within the scope of the NASA Exploration Technology Development Program s (ETDP's) Energy Storage Project. A critical cell-level component of a lithium-ion battery which significantly impacts both overall electrochemical performance and safety is the porous separator that is sandwiched between the two active cell electrodes. To support the selection of the optimal cell separator material(s) for the advanced battery technology and chemistries under development, laboratory characterization and screening procedures were established to assess and compare separator material-level attributes and associated separator performance characteristics.

Baldwin, Richard S.↗
DOE OSTI2023

Synthesis and structure of Americium(III) diglycolate oxalate Trihydrate, Am(ODA)(C 2 O 4 )(H 2 O) 3

Improving f-element separations is important for actinide(III) (An 3+ ) and lanthanide(III) (Ln 3+ ) based technologies. Unfortunately, An 3+ and Ln 3+ ions are difficult to separate from one another because they have similar chemical characteristics. One successful separation method utilizes anion exchange chromatography. This approach exploits differences in An 3+ and Ln 3+ Lewis acidities and their varying abilities to attract anionic complexing agents, like oxalates (C 2 O 4 2– ) and diglycolates (ODA 2– ). The resulting negatively charged complexes are then separated using an anion exchange resin. To better understand how this anion exchange separation works, we reacted Am 3+ (aq) (aq designates Am 3+ dissolved in water) with the anion exchange complexing agents (H 2 C 2 O 4 and H 2 ODA). Here, the resulting Am(ODA)(C 2 O 4 )(H 2 O) 3 product was characterized using single crystal X-ray diffraction and UV-Vis-NIR spectroscopy. The Am(ODA)(C 2 O 4 )(H 2 O) 3 structure was similar to that established previously for Ln 3+ analogues, namely Ln(ODA)(C 2 O 4 )(H 2 O) x . These compounds were all isomorphous, had bridging C 2 O 4 2– and ODA 2– ligands, and crystallized as 2-dimensional extended solids. In addition, the Am 3 +–O bond distances could be predicted based on relative differences in Am 3+ and Ln 3+ 9-coordinate metal ionic radii. Overall, isolation of Am(ODA)(C 2 O 4 )(H 2 O) 3 showcased similarities in complexation and crystallization chemistry for Am 3+ and Ln 3+ .

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

Cost‐Effective and Scalable Approach for the Separation and Direct Cathode Recovery from End‐of‐Life Li‐Ion Batteries

Li-ion battery recycling presents a promising opportunity to decrease dependence on foreign sources of materials and harvest precious materials within the United States. Herein, a superior complete direct recycling process on individual end-of-life cells is reported where the recovered high-purity cathode active material, as well as electrolyte salt Li hexafluorophosphate (LiPF 6 ) can be reused without significant processing. This new process utilizes a series of mechanical separation steps that enable the separation of the cathode and anode active materials while they are still attached to their current collectors. Using this type of process can significantly reduce metal contamination and enable a clean cathode that can be directly recycled. The process if implemented commercially can greatly reduce the environmental burden of batteries as the greenhouse gas emissions of 8.25 kg CO 2 e kg −1 from the direct recycling process are 64% lower compared to those from virgin production of cathode material. During electrochemical testing of the recovered LiNi 0.6 Mn 0.2 Co 0.2 O 2 a discharge capacity of ≈160 mAh g −1 and good cyclability of over 250 cycles at 0.33C are achieved. This success paves a new pathway to explore and optimize existing Li-ion battery recycling procedures.

electrolyte reuse↗