Search NASA⌕ Search

SEARCH · Search NASA

Results for “Absorption capacity”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

UNESE Data Analysis-Disko Elm Gas Transport Characteristics (NA-22 Quarterly Report)

Recently published papers have demonstrated the impact of sorption mechanisms on gas transport in the subsurface following an underground nuclear explosion. To include sorption processes in the multi-physics models of noble gas production and transport, researchers have conducted experiments of gas sorption in geologic materials and calibrated a linear (Henry’s law) sorption model for all gases in various geologic materials. As a part of Task #4, we requested the experimental data from Sandia Laboratories and derived a dual-mode (Henry’s absorption and Langmuir adsorption) sorption model. The derived model better describes the nonlinear sorption mechanism with much higher fitness with the experimental data. When gas concentrations are relatively low (in the conditions of field experiments or underground nuclear explosions) compared to those used sorption experiments, the nonlinear sorption model can be approximated as a linear sorption model. The equivalent Henry’s constant, which equals the product of Langmuir capacity and affinity, is systematically higher than the literature values. Further analyses and comparison of sorption models are planned in FY2020 Q4 and the sorption model will be coupled in models of nonisothermal multiphase transport for studying noble gas detectability.

58 GEOSCIENCES↗
DOE OSTI2022

Carbonate Composite Sorbents: A Novel Technology for Biogas Upgrading

With no signs of slowing, global warming and resource consumption continue to rise. Biogas has been shown to be a reliable renewable energy source in tandem to natural gas. Biogas is naturally sourced as a byproduct from dairy and food waste plants and can be upgraded to biomethane as an alternative to natural gas. Lawrence Livermore National Laboratory (LLNL) has developed carbonate composite sorbents which yield pipeline quality biomethane and cost less than traditional biogas upgrading technologies (e.g., water/chemical scrubbing, pressure swing adsorption). Laboratory-scale experiments using biogas and the composite sorbents resulted in absorption of 0.62 mol of CO 2 per kilogram of material, methane purity of >99% and an energy demand of <0.1 MJ/Nm 3 . The team is currently working on scaling up the production of the composite sorbent to kilogram quantities and to operate a small-scale pilot at a partnered test facility. To ensure market competitiveness, the team is currently working on improving the CO 2 loading capacity of the composite sorbent by optimizing the powder to polymer ratio and developing a confined coaxial powder extrusion method.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reversible Anionic Redox Activities in Conventional LiNi 1/3 Co 1/3 Mn 1/3 O 2 Cathodes

Redox reactions of oxygen have been considered critical in controlling the electrochemical properties of lithium-excessive layered-oxide electrodes. However, conventional electrode materials without overlithiation remain the most practical. Typically, cationic redox reactions are believed to dominate the electrochemical processes in conventional electrodes. Herein, we show unambiguous evidence of reversible anionic redox reactions in LiNi 1/3 Co 1/3 Mn 1/3 O 2 . The typical involvement of oxygen through hybridization with transition metals is discussed, as well as the intrinsic oxygen redox process at high potentials, which is 75 % reversible during initial cycling and 63% retained after 10 cycles. Our results clarify the reaction mechanism at high potentials in conventional layered electrodes involving both cationic and anionic reactions and indicate the potential of utilizing reversible oxygen redox reactions in conventional layered oxides for high-capacity lithium-ion batteries.

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

Hydrous Nickel–Iron Turnbull’s Blue as a High-Rate and Low-Temperature Proton Electrode

Proton batteries are emerging as a promising solution for energy storage; however, their development has been hindered by the lack of suitable cathode materials. Herein, a hydrous Turnbull’s blue analogue (TBA) of Ni[Fe(CN) 6 ] 2/3 ·4H 2 O has been investigated as a viable proton cathode. Particularly, it shows an extremely high rate performance up to 6000 C (390 A g –1 ) at room temperature and delivers good capacity values at a low temperature of -40 °C in an aqueous electrolyte. The excellent rate capability is also amenable to high mass loadings of 10 mg cm –2 . Such fast and low-temperature rate behavior likely stems from the fast proton conduction that is afforded by the Grotthuss mechanism inside the TBA structure. Furthermore, advanced characterization, including in operando synchrotron X-ray diffraction (XRD), and X-ray absorption near-edge structure (XANES) were employed to understand the changes of crystal structures and the oxidation-states of metal elements of the electrodes.

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

Multiple and nonlocal cation redox in Ca–Ce–Ti–Mn oxide perovskites for solar thermochemical applications

Modeling-driven design of redox-active off-stoichiometric oxides for solar thermochemical H 2 production (STCH) seldom has resulted in empirical demonstration of competitive materials. Here, we report the theoretical prediction and experimental evidence that the perovskite Ca 2/3 Ce 1/3 Ti 1/3 Mn 2/3 O 3 is synthesizable with high phase purity, stable, and has desirable redox thermodynamics for STCH, with a predicted average neutral oxygen vacancy (VO) formation energy, E v = 3.30 eV. Flow reactor experiments suggest potentially comparable or greater H 2 production capacity than recent promising Sr–La–Mn–Al and Ba–Ce–Mn metal oxide perovskites. Utilizing quantum-based modeling of a solid solution on both A and B sub-lattices, we predict the impact of nearest-neighbor composition on E v and determine that A-site Ce 4+ reduction dominates the redox-activity of Ca 2/3 Ce 1/3 Ti 1/3 Mn 2/3 O 3 . X-ray absorption spectroscopy measurements provide evidence that supports these predictions and reversible Ce 4+ -to-Ce 3+ reduction. Our models predict that Ce 4+ reduces even when it is not nearest-neighbor to the V O , suggesting that refinement of Ce stoichiometry has the possibility of further enhancing performance.

08 HYDROGEN↗
DOE OSTI2020

Evaluation of the Tenti S6 model for hydrocarbon fuels at elevated temperatures using filtered Rayleigh scattering measurements

This Letter targets the assessment of the well-known Tenti S6 model for predicting the Rayleigh–Brillouin scattering (RBS) spectra of select gas–phase hydrocarbon fuels (CH 4 , C 2 H 2 , C 2 H 4 , C 3 H 8 , and C 4 H 10 ) over a temperature range of 300 to 700 K. The Tenti S6 model is evaluated by comparing filtered Rayleigh scattering (FRS) measurements to synthetic FRS signals generated from the combination of the Tenti S6 output and an accurate iodine absorption filter model. Here, the experimental and synthetic FRS results agree very well (<3% difference) over the full temperature range for CH 4 , C 2 H 2 , and C 2 H 4 , indicating accurate calculation of the RBS spectra. For C 3 H 8 and C 4 H 10 , there are some large differences between the experimental and synthetic FRS results which cannot be resolved through tuning of bulk viscosity, internal heat capacity, or inclusion of vibrational degrees of freedom, suggesting the need for detailed measurements of the Rayleigh–Brillouin spectra.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Speciation of Transition Metal Dissolution in Electrolyte from Common Cathode Materials

Abstract Significant capacity loss has been observed across extended cycling of lithium‐ion batteries cycled to high potential. One of the sources of capacity fade is transition metal dissolution from the cathode active material, ion migration through the electrolyte, and deposition on the solid‐electrolyte interphase on the anode. While much research has been conducted on the oxidation state of the transition metal in the cathode active material or deposited on the anode, there have been limited investigations of the oxidation state of the transition metal ions dissolved in the electrolyte. In this work, X‐ray absorption spectroscopy has been performed on electrolytes extracted from cells built with four different cathode active materials (LiMn 2 O 4 (LMO), LiNi 0.5 Mn 1.5 O 4 (LNMO), LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811), and (x Li 2 MnO 3 *(1‐x) LiNi a Mn b Co c O 2 , with a+b+ c =1) (LMRNMC)) that were cycled at either high or standard potentials to determine the oxidation state of Mn and Ni in solution. Inductively coupled plasma‐mass spectrometry has been performed on the anodes from these cells to determine the concentration of deposited transition metal ions. While transition metal ions were found dissolved in all electrolytes, the oxidation state(s) of Mn and Ni were determined to be dependent on the cathode material and independent of cycling potential.

Rynearson, Leah↗
DOE OSTI2022

Insights into the Effect of Heat Treatment and Carbon Coating on the Electrochemical Behaviors of SiO Anodes for Li-Ion Batteries

The use of SiO as an anode material has attracted significant interest due to its high capacity and long cycling life. Many promising approaches, including structural design and carbon coating at high temperatures, effectively improve its intrinsic low electrical conductivity and poor Coulombic efficiency. However, the “heat treatment process-composition and microstructure-electrochemical properties” relationship of the SiO anode is not fundamentally understood. Here the structure and composition evolution in amorphous SiO and graphene-coated SiO is investigated using different heat-treatment conditions. X-ray absorption near-edge structure techniques are also employed to analyze the surface and bulk composition change during the initial lithiation process, supplemented by physical or chemical characterization and electrochemical testing. Here results reveal the structural transition of SiO during heat treatment, from amorphous to disproportionated hierarchical structure, where the as-formed dielectric exterior SiO 2 shell and interior SiO 2 matrix severely polarizes electrodes, hindering the lithiation process. Carbon coating on SiO effectively restricts the growth of the SiO 2 shell and facilitates charge transfer, leading to improved electrochemical performance. A schematic model is proposed to reveal the relationship between the treatments, the resultant structural evolutions, and corresponding electrochemical behaviors.

36 MATERIALS SCIENCE↗
DOE OSTI2024

CO 2 Capture with Capsules of Ionic Liquid/Amines

Carbon capture remains an urgent issue that has gained a great deal of attention over the past few decades. Aqueous amines have excellent selectivity, but present corrosion and volatility issues, whereas ionic liquids (ILs) have negligible volatility and tunable physical properties, but high viscosities. One approach to improve the practical performance of these liquids is encapsulating them in a CO 2 permeable polymer shell to enhance the accessibility of the liquid and the CO 2 absorption rate. In this work, we report the encapsulation of a mixture of amine and IL (i.e., monoethanolamine (MEA) and 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF 4 ])) and demonstrate enhanced carbon capture performance. A soft-template approach and interfacial polymerization are used to give capsules with liquid core (64 wt %) and polyurea shell. Compared to the bulk liquid, the encapsulated liquid shows improved thermal stability over cycles of absorption at 25 °C, and desorption at 75 °C. The capsules with core of [BMIM][BF 4 ]-MEA show 0.2 mol CO 2 /kg of capsules at 1 bar CO 2 , compared to the bulk liquid, which has 0.05 mol CO 2 /kg of sorbent. This is attributed to the limited evaporation of the amines. Alternatively, the same capsules but with 5 wt % of piperazine (Pz) in the core have doubled gravimetric CO 2 capacity of the capsules (0.4 mol CO 2 /kg of capsules); performance is evaluated over 10 capture–release cycles showing minimal mass loss. Characterization of the CO 2 uptake of the polymer shell itself reveals that the shell contributes only ~10% of the observed capacity, likely attributed to amine functionalities of the polymer. Here, this facile approach to encapsulating such “active” liquids can be applied to other CO 2 selective solvents that are volatile, viscous, and corrosive.

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

LaCl 3 -based sodium halide solid electrolytes with high ionic conductivity for all-solid-state batteries

To enable high performance of all solid-state batteries, a catholyte should demonstrate high ionic conductivity, good compressibility and oxidative stability. Here, a LaCl 3 -based Na + superionic conductor (Na 1–x Zr x La 1–x Cl 4 ) with high ionic conductivity of 2.9 × 10 –4 S cm –1 (30 °C), good compressibility and high oxidative potential (3.80 V vs. Na 2 Sn) is prepared via solid state reaction combining mechanochemical method. X-ray diffraction reveals a hexagonal structure (P6 3 /m) of Na 1–x Zr x La 1–x Cl 4 , with Na + ions forming a one-dimensional diffusion channel along the c-axis. First-principle calculations combining with X-ray absorption fine structure characterization etc. reveal that the ionic conductivity of Na 1–x Zr x La 1–x Cl 4 is mainly determined by the size of Na + -channels and the Na + /La 3+ mixing in the one-dimensional diffusion channels. When applied as a catholyte, the NaCrO 2 ||Na 0.7 Zr 0.3 La 0.7 Cl 4 ||Na 3 PS 4 ||Na 2 Sn all-solid-state batteries demonstrate an initial capacity of 114 mA h g –1 and 88% retention after 70 cycles at 0.3 C. In addition, a high capacity of 94 mA h g –1 can be maintained at 1 C current density.

36 MATERIALS SCIENCE↗
DOE OSTI2025

All-optical control of charge-trapping defects in rare-earth doped oxides

Abstract Charge-trapping defects in crystalline solids play important roles in applications ranging from microelectronics, optical storage, sensing and quantum technologies. On one hand, depleting trapped charges in the host matrix reduces charge noise and enhances coherence of solid-state quantum emitters. On the other hand, stable charge traps can enable high-density optical storage systems. Here we report all-optical control of charge-trapping defects via optical charge trapping (OCT) spectroscopy of a rare-earth ion doped oxide (Y 2 O 3 ). Charge trapping is realized by low intensity optical excitation in the 200–375 nm range. Charge detrapping or depletion is carried out by optically stimulated luminescence (OSL) under 532 nm stimulation. Using a Pr-doped Y 2 O 3 polycrystalline ceramic host matrix, we observe charging pathways via the inter-band optical absorption of Y 2 O 3 and via the 4f-5d transitions of Pr 3+ . We demonstrate effective control of the density of trapped charges within the Y 2 O 3 matrix at ambient environment. These results point to a viable method for controlling the local charge environment in rare-earth doped crystals via all-optical means, and pave the way for further development of efficient optical storage technologies with ultrahigh storage capacity, as well as for the localized control of quantum coherence in rare-earth doped solids.

França, Leonardo V. S. [Pritzker School of Molecul↗
DOE OSTI2021

A Review on Advanced Manufacturing for Hydrogen Storage Applications

Hydrogen is a notoriously difficult substance to store yet has endless energy applications. Thus, the study of long-term hydrogen storage, and high-pressure bulk hydrogen storage have been the subject of much research in the last several years. To create a research path forward, it is important to know what research has already been done, and what is already known about hydrogen storage. In this review, several approaches to hydrogen storage are addressed, including high-pressure storage, cryogenic liquid hydrogen storage, and metal hydride absorption. Challenges and advantages are offered based on reported research findings. Since the project looks closely at advanced manufacturing, techniques for the same are outlined as well. There are seven main categories into which most rapid prototyping styles fall. Each is briefly explained and illustrated as well as some generally accepted advantages and drawbacks to each style. An overview of hydrogen adsorption on metal hydrides, carbon fibers, and carbon nanotubes are presented. The hydrogen storage capacities of these materials are discussed as well as the differing conditions in which the adsorption was performed under. Concepts regarding storage shape and materials accompanied by smaller-scale advanced manufacturing options for hydrogen storage are also presented.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Speciation of Transition Metal Dissolution in Electrolyte from Common Cathode Materials

Significant capacity loss has been observed across extended cycling of lithium-ion batteries cycled to high potential. One of the sources of capacity fade is transition metal dissolution from the cathode active material, ion migration through the electrolyte, and deposition on the solid-electrolyte interphase on the anode. While much research has been conducted on the oxidation state of the transition metal in the cathode active material or deposited on the anode, there have been limited investigations of the oxidation state of the transition metal ions dissolved in the electrolyte. Here, in this work, X-ray absorption spectroscopy has been performed on electrolytes extracted from cells built with four different cathode active materials (LiMn 2 O 4 (LMO), LiNi 0.5 Mn 1.5 O 4 (LNMO), LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811), and (x Li 2 MnO 3 *(1-x) LiNi a Mn b Co c O 2 , with a+b+c=1) (LMRNMC)) that were cycled at either high or standard potentials to determine the oxidation state of Mn and Ni in solution. Inductively coupled plasma-mass spectrometry has been performed on the anodes from these cells to determine the concentration of deposited transition metal ions. While transition metal ions were found dissolved in all electrolytes, the oxidation state(s) of Mn and Ni were determined to be dependent on the cathode material and independent of cycling potential.

25 ENERGY STORAGE↗
DOE OSTI2020

Revealing the working mechanism of a multi-functional block copolymer binder for lithium-sulfur batteries

The lithium-sulfur (Li-S) battery is one of the most promising substitutes for current energy storage systems because of its low cost, high theoretical capacity, and high energy density. However, the high solubility of intermediate products (i.e., lithium polysulfides) and the resultant shuttle effect lead to rapidly fading capacity and a low coulombic efficiency, which hinder the practical application of Li-S batteries. In this study, block copolymers are constructed with both an ethylene oxide unit and a styrene unit and then used as binders for Li-S batteries. Electrochemical performance improvements are attributed to the synergistic effects contributed by the different units of the block copolymer. Here, the ethylene oxide unit traps polysulfide, which bonds strongly with the intermediate lithium polysulfide, and enhances the transport of lithium ions to reach high capacity. Meanwhile, the styrene unit maintains cathode integrity by improving the mechanical properties and elasticity of the constructed block copolymer to accommodate the large volume changes. By enabling multiple functions via different units in the polymer chain, high sulfur utilization is achieved, polysulfide diffusion is confined, and the shuttle effect is suppressed during the cycle life of Li-S batteries, as revealed by operando ultraviolet–visible spectroscopy and S K-edge X-ray absorption spectroscopy.

25 ENERGY STORAGE↗
DOE OSTI2024

Structural and physical properties of Ni 1- x V x alloys around and away from quantum critical point

We investigate the room temperature structure (global and local), temperature dependent magnetic and transport behaviour of Ni 1-x V x (0$&LessSlantEqual;$x$ &LessSlantEqual;$ $0.13$) alloys. Our Energy Dispersive Analysis of x-rays results show that the prepared compositions are stoichiometric. With increase in V doping, the compounds exhibit a quantum phase transition around x c = 0.12, where the ferromagnetic phase is suppressed. Further, our results show that all the compounds stabilize in face centred cubic structure at RT and the lattice parameter shows unusual behaviour close to x c . The magnetic and heat capacity studies show signature of Griffiths phase on either side of x c . From 25 K to the lowest collected temperature, we observe a linear T dependence of resistivity at x = 0.1 and around x c , which is separated by a Fermi-liquid region around x = 0.106. This suggests that the origin of the transport behaviour is different around the quantum critical point and away from it. Our Ni K-edge x-ray Absorption Spectroscopy results show that there is a significant reduction in the first coordination number around Ni central atom on doping. Further, with doping, there is distortion in the first coordination shell around Ni. This suggests, with V doping, the local structure around Ni is different from the global structure as obtained from the x-ray Diffraction results. Interestingly, with doping, we observe a direct connection between the extent of distortion at RT and the magnetic disorder obtained at 2 K. We believe our results will motivate the scientific community to further study the interplay between the structural disorder and quantum fluctuations with temperature at the local level.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

High strain rate deformation of aged TRIP Ti-10V-2Fe-3Al (wt.%) examined by in-situ synchrotron X-ray diffraction

Transformation Induced Plasticity (TRIP) is a promising avenue for tailoring the work hardening response of metastable $β$ titanium (Ti) alloys. Here we show that aged TRIP Ti-10V-2Fe-3Al (wt.%) maintains higher elongations and flow stresses as strain rate increases, if phase stability and microstructural characteristics are tuned. Low temperature aging influences the matrix $β$ phase stability by $ω$ phase precipitation, which affords a promising way to impact the TRIP effect and obtain desirable mechanical properties, ranging from high damping capacity to good strength/ductility combinations. Although TRIP is active during quasi-static and dynamic testing up to 2000 s –1 , increasing aging time and/or strain rate reduces the overall propensity for the TRIP effect and extent of transformation, which occurs rapidly just at the onset of yielding. Importantly, TRIP with $ω$ phase precipitation provides interesting alloying, microstructure, and property design strategies for engineering applications like lightweight protective structures, where high strains and the need for energy absorption are encountered.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetocapacitance effect and magnetoelectric coupling in type-II multiferroic HoFeWO 6

We have investigated the multiferroicity and magnetoelectric (ME) coupling in HoFeWO 6 . With a noncentrosymmetric polar structure (space group Pna2 1 ) at room temperature, this compound shows an onset of electric polarization with an antiferromagnetic ordering at the Néel temperature (T N ) of 17.8 K. The magnetic properties of the polycrystalline samples were studied by DC and AC magnetization and heat capacity measurements. The metamagnetic behavior at low temperatures was found to be directly related to the dielectric properties of the compound. In particular, field-dependent measurements of capacitance show a magnetocapacitance (MC) effect with double-hysteresis loop behavior in direct correspondence with the magnetization. Our x-ray diffraction results show the Pna2 1 structure down to 8 K and suggest the absence of a structural phase transition across T N . Soft x-ray absorption spectroscopy and soft x-ray magnetic circular dichroism (XMCD) measurements at the Fe L 2,3 and Ho M 4,5 edges revealed the oxidation state of Fe and Ho cations to be 3+. Fe L 2,3 XMCD further shows that Fe 3+ cations are antiferromagnetically ordered in a noncollinear fashion with spins arranged 90° with respect to each other. Our findings show that HoFeWO 6 is a type-II multiferroic exhibiting a MC effect. Furthermore, the observed MC effect and the change in polarization by the magnetic field, as well as their direct correspondence with magnetization, further support the strong ME coupling in this compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗