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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Control of Two Solid Electrolyte Interphases at the Negative Electrode of an Anode‐Free All Solid‐State Battery based on Argyrodite Electrolyte

Abstract Anode‐free all solid‐state batteries (AF‐ASSBs) employ “empty” current collector with three active interfaces that determine electrochemical stability; lithium metal – Solid electrolyte (SE) interphase (SEI‐1), lithium – current collector interface, and collector – SE interphase (SEI‐2). Argyrodite Li 6 PS 5 Cl (LPSCl) solid electrolyte (SE) displays SEI‐2 containing copper sulfides, formed even at open circuit. Bilayer of 140 nm magnesium/30 nm tungsten (Mg/W‐Cu) controls the three interfaces and allows for state‐of‐the‐art electrochemical performance in half‐cells and fullcells. AF‐ASSB with NMC811 cathode achieves 150 cycles with Coulombic efficiency (CE) above 99.8%. With high mass‐loading cathode (8.6 mAh cm −2 ), AF‐ASSB retains 86.5% capacity after 45 cycles at 0.2C. During electrodeposition of Li, gradient Li‐Mg solid solution is formed, which reverses upon electrodissolution. This promotes conformal wetting/dewetting by Li and stabilizes SEI‐1 by lowering thermodynamic driving force for SE reduction. Inert refractory W underlayer is required to prevent ongoing formation of SEI‐2 that also drives electrochemical degradation. Inert Mo and Nb layers likewise protect Cu from corroding, while Li‐alloying layers (Mg, Sn) are less effective due to ongoing volume changes and associated pulverization. Mechanistic explanation for observed Li segregation within alloying Li x Mg layer is provided through mesoscale modelling, considering opposing roles of diffusivity differences and interfacial stresses.

Wang, Yixian [Materials Science and Engineering Pr↗
DOE OSTI2025

Reciprocal Ternary Molten Salts Enable the Direct Upcycling of Spent Lithium‐Nickel‐Manganese‐Cobalt Oxide (NMC) Mixtures to Make NMC 622

Cathode active material is the most valuable component of spent lithium‐ion batteries, accounting for ≈30% of their overall value. Direct recycling of cathode materials involves recovering, regenerating, and reusing them without breaking down their chemical structure. This approach maximizes the added value of the cathode compound and reduces manufacturing costs by avoiding the need for virgin material production. However, one key challenge in scaling direct recycling from lab to industry is the requirement for highly purified cathode materials, contrasting with the low purity of black mass generated from battery shredding. No efficient separation process currently exists to isolate different lithium‐nickel‐manganese‐cobalt oxides (NMCs) from each other. Thus, direct recycling technologies that can operate with mixtures of multiple NMC stoichiometries will be best‐suited for industrial adoption. This study explores the direct recycling of NMC mixtures into NMC 622 using a “reciprocal ternary molten salts (RTMS)” system. Ionothermal relithiation and upcycling within the RTMS system successfully restore the layered structure, lithium content, and electrochemical performance of degraded NMCs, yielding results comparable to pristine NMC 622 (P‐NMC 622).

25 ENERGY STORAGE↗
DOE OSTI2022

Leading-color two-loop amplitudes for four partons and a $\textit{W}$ boson in QCD

We present the leading-color two-loop QCD corrections for the scattering of four partons and a W boson, including its leptonic decay. The amplitudes are assembled from the planar two-loop helicity amplitudes for four partons and a vector boson decaying to a lepton pair, which are also used to determine the planar two-loop amplitudes for four partons and a $Z/γ^\ast$ boson with a leptonic decay. The analytic expressions are obtained by setting up a dedicated Ansatz and constraining the free parameters from numerical samples obtained within the framework of numerical unitarity. The large linear systems that must be solved to determine the analytic expressions are constructed to be in Vandermonde form. Such systems can be very efficiently solved, bypassing the bottleneck of Gaussian elimination. Our results are expressed in a basis of one-mass pentagon functions, which opens the possibility of their efficient numerical evaluation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Electrochemical leaching of spent LIBs: Kinetics, novel reactor, and modeling

The use of electrons as main reagent for the recovery and recycling of critical metals from spent lithium-ion batteries (LIBs) is a process electrification strategy that can be used to close the life-cycle loop of LIBs through more sustainable methods. Electrochemical leaching, a process that uses a reductant that is constantly regenerated electrochemically for the leaching of lithium-ion battery black mass (LIBBM), has shown high extraction efficiencies and sustainable scores. However, slow kinetics, reactor design challenges and lack of deeper understanding of the underlying processes are barriers to the optimization, scale-up, and market adoption of this technology. In this paper, a kinetic study and mathematical model for dissolving LIBBM is presented to better understand the underlying mechanisms aiming to reduce the processing time and make predictions for future design and scale-up. The effect of acid and electrochemically mediated reductant concentrations, LIBBM loading, and cathode/reactor designs were explored. As a result, the leaching time was reduced from 7h to under 1h at a pulp density of 73 g/L, without external heating. A novel reactor with parallel baffle electrodes (PBE) was developed, which significantly reduced the leaching time by improving convection in a stirred slurry electrochemical reactor. Dimensionless numbers were deduced from an unsteady state model, which can be used in dimensional analysis for future process design and scale-up.

25 ENERGY STORAGE↗
DOE OSTI2024

Physical properties of asteroid Dimorphos as derived from the DART impact

On 26 September 2022, NASA’s Double Asteroid Redirection Test (DART) mission successfully impacted Dimorphos, the natural satellite of the binary near-Earth asteroid (65803) Didymos. Numerical simulations of the impact provide a means to find the surface material properties and structures of the target that are consistent with the observed momentum deflection efficiency, ejecta cone geometry and ejected mass. Our simulation that best matches the observations indicates that Dimorphos is weak, with a cohesive strength of less than a few pascals, like asteroids (162173) Ryugu and (101955) Bennu. We find that the bulk density of Dimorphos ρ B is lower than ~2,400 kg m – 3 and that it has a low volume fraction of boulders (≲40 vol%) on the surface and in the shallow subsurface, which are consistent with data measured by the DART experiment. These findings suggest that Dimorphos is a rubble pile that might have formed through rotational mass shedding and reaccumulation from Didymos. Our simulations indicate that the DART impact caused global deformation and resurfacing of Dimorphos. ESA’s upcoming Hera mission may find a reshaped asteroid rather than a well-defined crater.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Clump survival and migration in VDI galaxies: an analytical model versus simulations and observations

ABSTRACT We address the nature of the giant clumps in high-z galaxies that undergo violent disc instability, distinguishing between long-lived and short-lived clumps. We study the evolution of long-lived clumps during migration through the disc via an analytical model tested by simulations and confront theory with CANDELS-HST observations. The clump ‘bathtub’ model, which considers gas and stellar gain and loss, involves four parameters: the accretion efficiency α, the star formation rate (SFR) efficiency ϵd, and the outflow mass-loading factors for gas and stars, η and ηs. The corresponding time-scales are comparable to the migration time, two-three orbital times. The accretion-rate dependence on clump mass, gas, and stars, allows an analytical solution involving exponential growing and decaying modes. For the fiducial parameter values there is a main evolution phase where the SFR and gas mass are constant and the stellar mass is rising linearly with time. This makes the inverse specific SFR an observable proxy for clump age. When η or ϵd are high, or α is low, the decaying mode induces a decline of SFR and gas mass till the migration ends. Later, the masses and SFR approach an hypothetical exponential growth with a constant specific SFR. The model matches simulations with different, moderate feedbacks, both in isolated and cosmological settings. The observed clumps agree with our predictions, indicating that the massive clumps are long-lived and migrating. A challenge is to model feedback that is non-disruptive in massive clumps but suppresses SFR to match the galactic stellar-to-halo mass ratio.

Dekel, Avishai↗
DOE OSTI2026

Intelligent Experiments through Real-Time AI: Fast Data Processing and Autonomous Detector Control for High-Energy Nuclear Experiments

The aim of this project is to develop software and hardware for fast real-time data processing and autonomous detector control and calibration for the sPHENIX and the future EIC experiments. Below summarizes Georgia Tech team efforts in the past year: 1. We developed a real-time clustering algorithm and FPGA-based pipeline architecture for processing fired pixel data from ALPIDE sensors in sPHENIX experiments. Our Columnar Clustering Co-Design introduces a hardware-aware, stream-friendly approach that segments pixel data by column pairs using a Column Pair Clustering (CPC) strategy, followed by Cluster Stitching to merge adjacent subclusters. Implemented in Vitis HLS, the pipeline comprises five stages—read-in, subclustering, stitching, analysis, and write-out—connected by tagged HLS streams with custom end-of-event signaling for robust synchronization. We designed a pipelined dataflow model optimized for throughput, low latency, and minimal buffering, enabling scalable clustering across events of arbitrary size. Our system maintains spatial precision via center-of-mass and shape key extraction and efficiently handles edge cases such as fragmented or nested clusters. Compared against DBSCAN in both software and hardware, our approach demonstrates competitive performance under FPGA constraints. 2. We also conducted a comprehensive algorithm-to-hardware co-design of connected component analysis tailored for sPHENIX experiments, focusing on real-time, low-latency processing using FPGAs and High-Level Synthesis (HLS). Starting from a Python-based particle tracking pipeline, the team translated the core logic—graph traversal via DFS and Union-Find—into an HLS-compatible C++ model, replacing dynamic memory and recursion with static arrays and pipelined control flow. The final design includes a fully streamed and dataflow-compatible Union-Find kernel optimized across five iterations, incorporating loop pipelining, array partitioning, AXI/FIFO interface tuning, and function flattening. Experimental results show up to 14.8× speedup over the CPU baseline, reducing per-graph latency to 1.58 μs and demonstrating strong resource efficiency with only ~7k LUTs and zero BRAM usage. The design maintains functional correctness against the Python reference using a Python-based C-simulation framework and Mean Squared Error metrics. This work validates the potential of HLS-driven FPGA designs for edge-level HEP data acquisition, laying a scalable foundation for future integration with real-time detector pipelines and multi-graph processing systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Status of the DUNE experiment

The Deep Underground Neutrino Experiment aims at an unprecedentedly precise neutrino CPviolation phase measurement with a broad-band muon neutrino and antineutrino beam, a 1,300 km baseline, an order of 10skt fiducial mass detector with high particle identification efficiency and low external background.Additionally, the orders of systematic uncertainty should be constrained to 2% for the signal and5% for the background. This uncertainty constraint requires an unprecedented level of robustnessand redundancy in the near detector measurement. In this presentation, the near detector designand the far detector prototyping status are shown. The long-baseline sensitivity and differentphysics potentials are described.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Precise Measurement of the Neutron Magnetic Form Factor Using Super-BigBite Spectrometer at Jefferson Lab

The GMn experiment (E12-09-019) was conducted at Jefferson Laboratory from late 2021 into early 2022. The goal was to make high-precision measurement of the neutron’s magnetic form factor (GMn) at multiple kinematic points, including Q2 = 3.5, 4.5, 6.5, 8.5, 10, 12, 13.5, 16, and 18 (GeV/c)2. Limited data exist for GMn in the region up to about Q2 = 10 (GeV/c)2, with existing data having large systematic uncertainty. In this experiment, the ratio method was employed to reduce systematic uncertainty by measuring the ratio of neutron and proton yields. The experiment took place at Jefferson Laboratory in Hall A, where the BigBite spectrometer was used to detect the scattered electrons, while the HCal in the SuperBigbite spectrometer was used to detect both neutrons and protons. The protons were deflected slightly upwards with the use of a large-aperture dipole magnet named BigBen, allowing for enhanced particle identification. Extraction of GMn requires taking the ratio of proton and neutron yields. Analysis efforts are still currently underway to refine corrections to the data, including detector efficiencies, radiative corrections, neutron and proton mass identification, and charge exchange.

Lashley-Colthirst, Nathaniel↗
DOE OSTI2026

Mesogenesis through the ephemeral dark decay of Beauty

Mesogenesis provides a path for generating the baryon asymmetry of the Universe, using only the CP violation furnished by the Standard Model in the decay of B mesons. While this is an intriguing possibility, it is largely constrained by the data on B meson branching fractions into baryons and missing energy carried into the dark sector. We point out that it is possible to make this branching fraction dominant only in the early Universe, through an ultralight scalar coupled to the dark sector and the Standard Model leptons. A scenario is examined where the thermal density of muons in the early Universe temporarily lowers the mass of a dark fermion, allowing for efficient B meson decays. This `dark’ decay channel is shut off later when the muon number density falls, making the scenario compatible with flavor data. Our model can be consistent with the LHC constraints on color-charged heavy bosons required to implement Mesogenesis; such states may be discovered in the future runs as their masses cannot be far above the current bounds. We also outline other possible signals, which can arise in future displaced vertex searches, long range force searches, and observations of neutron star binary mergers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Assessment of TMT Labeling Efficiency in Large-Scale Quantitative Proteomics: The Critical Effect of Sample pH

Isobaric labeling via tandem mass tag (TMT) reagents enables sample multiplexing prior to LC–MS/MS, facilitating high-throughput large-scale quantitative proteomics. Consistent and efficient labeling reactions are essential to achieve robust quantification; therefore, embedded in our clinical proteomic protocol is a quality control (QC) sample that contains a small aliquot from each sample within a TMT set, referred to as “Mixing QC.” This Mixing QC enables the detection of TMT labeling issues by LC–MS/MS before combining the full samples to allow for salvaging of poor TMT labeling reactions. While TMT labeling is a valuable tool, factors leading to poor reactions are not fully studied. We observed that relabeling does not necessarily rescue TMT reactions and that peptide samples sometimes remained acidic after resuspending in 50 mM HEPES buffer (pH 8.5), which coincided with low labeling efficiency (LE) and relatively low median reporter ion intensities (MRIIs). To obtain a more resilient TMT labeling procedure, we investigated LE, reporter ion missingness, the ratio of mean TMT set MRII to individual channel MRII, and the distribution of log 2 reporter ion ratios of Mixing QC samples. We discovered that sample pH is a critical factor in LE, and increasing the buffer concentration in poorly labeled samples before relabeling resulted in the successful rescue of TMT labeling reactions. Moreover, resuspending peptides in 500 mM HEPES buffer for TMT labeling resulted in consistently higher LE and lower missing data. By better controlling the sample pH for labeling and implementing multiple methods for assessing labeling quality before combining samples, we demonstrate that robust TMT labeling for large-scale quantitative studies is achievable.

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

Impact of Systematic Modeling Uncertainties on Kilonova Property Estimation

The precise atomic structure and therefore the wavelength-dependent opacities of lanthanides are highly uncertain. This uncertainty introduces systematic errors in modeling transients like kilonovae and estimating key properties such as mass, characteristic velocity, and heavy metal content. Here, we quantify how atomic data from across the literature as well as choices of thermalization efficiency of r-process radioactive decay heating impact the light curve and spectra of kilonovae. Specifically, we analyze the spectra of a grid of models produced by the radiative transfer code Sedona that span the expected range of kilonova properties to identify regions with the highest systematic uncertainty. Our findings indicate that differences in atomic data have a substantial impact on estimates of lanthanide mass fraction, spanning approximately 1 order of magnitude for lanthanide-rich ejecta, and demonstrate the difficulty in precisely measuring the lanthanide fraction in lanthanide-poor ejecta. Mass estimates vary typically by 25%–40% for differing atomic data. Similarly, the choice of thermalization efficiency can affect mass estimates by 20%–50%. Observational properties such as color and decay rate are highly model dependent. Velocity estimation, when fitting solely based on the light curve, can have a typical error of ∼100%. Atomic data of light r-process elements can strongly affect blue emission. Even for well-observed events like GW170817, the total lanthanide production estimated using different atomic data sets can vary by a factor of ∼6.

Gravitational wave sources↗
DOE OSTI2022

Meta-Study of Particulate Detection Losses on Radioactive Air Sample Filters

Several mathematical relationships between air sample filter mass loading and the correlated analytical self-absorption factor were developed using data from other published research in this meta-study. Gross-alpha and -beta applications are addressed for this research. As filter media becomes loaded with particulate matter, there is potential for measurement losses due to self-absorption by mass loading. Components contributing to absorption include particulate dust, radioactive particulates, and filter material. Standards indicate a correction factor should be used when the penetration of radioactive material into the collection media or self-absorption of radiation by the material collected would reduce the detection rate by more than 5%. Previously, losses due to self-absorption have been reported up to 100% over a range up to ~10 mg∙cm -2 mass loading. These absorption losses then can be used to determine a correction factor for sample results. For low mass loadings (e.g., ≤0.1 mg∙cm -2 ) corrections factors in the 0.85 - 1 range have been recommended and used, while at higher mass loadings nearer to 10 mg∙cm -2 correction factors closer to 0 (representing near 100% losses) are used. Based on data from published studies, the different methods for relating percent loss due to self-absorption to mass loading include linear, exponential, quadratic, and trinomial derived functions. Where applicable, both forced zero and non-forced zero results were evaluated. From the derived functions evaluated, the trinomial function provided the best fit. Once the sample filter mass loading is known, the trinomial function can be applied to estimate losses and the corresponding self-absorption factor. When applied to routine operating conditions for radiological facility stacks monitored at the Pacific Northwest National Laboratory for an average sample filter mass loading of 0.09 ± 0.12 (2σ) mg∙cm -2 (excluding negative values and outliers) and a range from 0 - 0.24 mg∙cm -2 , the estimated trinomial function nominal self-absorption losses are less than 5% at 0.09 mg∙cm -2 and less than 10% at 0.24 mg∙cm -2 . The trinomial function is one method that may be used to adjust the activity results of an air sample when the sample-specific mass loading is determined. The application of no correction factor when the ANSI/HPS N13.1-2021 guidance of a 5% threshold for loss is not reached with typical stack sample mass loadings may be reasonable in high-efficiency particulate air filtered systems. For simplicity, it would be conservative in assigning the self-absorption correction factor at the 5% threshold (i.e., 0.95) for general uses but in cases of heavy mass loading to calculate the factor.

air sampling↗
DOE OSTI2022

A framework to quantify mass flow and assess food loss and waste in the US food supply chain

Abstract Reducing food loss and waste can improve the efficiency of food supply chains and provide food security. Here we estimate mass flow as well as food loss and waste along the US food supply chain for 10 commodity groups and nine management pathways to provide a baseline for designing efficient strategies to reduce, recycle, and recover food loss and waste. We estimate a total food loss and waste of 335.4 million metric tonnes from the U.S. food supply chain in 2016. Water evaporation (19%), recycling (55%), and landfill, incineration, or wastewater treatment (23%) accounted for most of the loss and waste. The consumption stage accounted for 57% of the food loss and waste disposed of through landfill, incineration, or wastewater treatment. Manufacturing was the largest contributor to food loss and waste (61%) but had a high recycling rate. High demand, perishable products accounted for 67% of food waste. We suggest that funding for infrastructure and incentives for earlier food donation can promote efficiency and sustainability of the supply chain, promote FLW collection and recycling along the U.S. FSC, and improve consumer education in order to move towards a circular economy.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Enhancing characterization of organic nitrogen components in aerosols and droplets using high-resolution aerosol mass spectrometry

This study aims to enhance the understanding and application of the Aerodyne high-resolution aerosol mass spectrometer (HR-AMS) for comprehensive characterization of organic nitrogen (ON) compounds in aerosol particles and atmospheric droplets. To achieve this, we analyzed seventy-five N-containing organic compounds, representing a diverse range of ambient ON types, including amines, amides, amino acids, N-heterocycles, protein, and humic acids. Our results show that ON compounds can produce significant levels of NH x + and NO x + ion fragments, which are typically recognized as ions representative of inorganic nitrogen species. We also discovered the presence of CH 2 N + at m/z = 28.0187, an ion fragment that is rarely quantified in ambient datasets due to substantial interference from air-related N 2 + . As a result, we determined that an updated calibration factor of 0.79 is necessary to accurately quantify ON content using aerosol mass spectrometry. We also assessed the relative ionization efficiencies (RIEs) for different ON species and found that the average RIE of ON compounds (1.52 ± 0.58) aligns with the commonly used default value of 1.40 for organic aerosol (OA). Moreover, through a careful examination of the HR-AMS mass spectral features of various ON types, we propose fingerprint ion series that can aid the ON speciation analysis. The presence of C n H 2n+2 N + ions is closely linked with amines, with CH 4 N + indicating primary amines, C 2 H 6 N + suggesting secondary amines, and C 3 H 8 N + representing tertiary amines. C n H 2n NO + ions (especially for n values of 1–4) are very likely derived from amides. The co-existence of three ions, C 2 H 4 NO 2 + , C 2 H 3 NO + , and CH 4 NO + , serves as an indicator for the presence of amino acids. Additionally, the presence of C x H y N 2 + ions indicates the occurrence of 2N-heterocyclic compounds. Notably, an elevated abundance of NH 4 + is a distinct signature for amines and amino acids, as inorganic ammonium salts produce only negligible amounts of NH 4 + in HR-AMS. Finally, we quantified the ON contents in submicron particles (PM 1 ) and fog waters in Fresno, California and PM 1 in New York City (NYC). Our results revealed the substantial presence of amino compounds in both Fresno and NYC aerosols, whereas concurrently collected fog waters contained a broader range of ON species, including N-containing aromatic heterocycle (e.g., imidazoles) and amides. These findings highlight the significant potential of employing the widespread HR-AMS measurements of ambient aerosols and droplets to enhance our understanding of the sources, transformation processes, and environmental impacts associated with ON compounds in the atmosphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The SAGA Survey. IV. The Star Formation Properties of 101 Satellite Systems around Milky Way–mass Galaxies

We present the star-forming properties of 378 satellite galaxies around 101 Milky Way analogs in the Satellites Around Galactic Analogs (SAGA) Survey, focusing on the environmental processes that suppress or quench star formation. In the SAGA stellar mass range of 10 6−10 M ⊙ , we present quenched fractions, star-forming rates, gas-phase metallicities, and gas content. The fraction of SAGA satellites that are quenched increases with decreasing stellar mass and shows significant system-to-system scatter. SAGA satellite quenched fractions are highest in the central 100 kpc of their hosts and decline out to the virial radius. Splitting by specific star formation rate (sSFR), the least star-forming satellite quartile follows the radial trend of the quenched population. The median sSFR of star-forming satellites increases with decreasing stellar mass and is roughly constant with projected radius. Star-forming SAGA satellites are consistent with the star formation rate–stellar mass relationship determined in the Local Volume, while the median gas-phase metallicity is higher and median H i gas mass is lower at all stellar masses. We investigate the dependence of the satellite quenched fraction on host properties. Quenched fractions are higher in systems with larger host halo mass, but this trend is only seen in the inner 100 kpc; we do not see significant trends with host color or star formation rate. Our results suggest that lower-mass satellites and satellites inside 100 kpc are more efficiently quenched in a Milky Way–like environment, with these processes acting sufficiently slowly to preserve a population of star-forming satellites at all stellar masses and projected radii.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Multifield ultralight dark matter

Ultralight dark matter (ULDM) is usually taken to be a single scalar field. Here we explore the possibility that ULDM consists of N light scalar fields with only gravitational interactions. This configuration is more consistent with the underlying particle physics motivations for these scenarios than a single ultralight field. ULDM halos have a characteristic granular structure that increases stellar velocity dispersion and can be used as observational constraints on ULDM models. In multifield simulations, we find that inside a halo the amplitude of the total density fluctuations decreases as $1/\sqrt{N}$ and that the fields do not become significantly correlated over cosmological timescales. Smoother halos heat stellar orbits less efficiently, reducing the velocity dispersion relative to the single field case and thus weakening the observational constraints on the field mass. Analytically, we show that for N equal-mass fields with mass m the ULDM contribution to the stellar velocity dispersion scales as 1/(Nm 3 ). Finally, lighter fields heat the most efficiently and if the smallest mass mL is significantly below the other field masses the dispersion scales as $1/(N^{2}m^3_L$).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Chemical Kinetics of the Autoxidation of Poly(ethylenimine) in CO 2 Sorbents

The oxidative degradation rates of a CO 2 sorbent composed of a mesoporous alumina impregnated with poly- (ethylenimine) (PEI) are measured under systematically varied conditions and a reaction rate law is created. Good agreement is shown between the rate of oxidation obtained via in situ calorimetric heat measurement during oxidative degradation reactions and the loss of CO 2 capture performance presented as amine efficiency (mol CO 2 /mol amine). PEI mass loss and elemental composition are tracked over the course of the reaction and used in conjunction with the oxidation rate measurements to shed insight into the oxidation reaction(s). These data, in combination with measurements of the heat of reaction, suggest a common reaction set across the range of temperatures, oxygen concentrations, and sorbent compositions tested. The data are consistent with the basic autoxidation scheme (BAS), the accepted mechanism of autoxidation of aliphatic polymers. We propose a lumped kinetic model to describe the oxidation reaction set and estimate an activation energy of 105 kJ/mol and an oxygen reaction order of 0.5–0.7 from the data accordingly. Furthermore, these parameters can be incorporated into process cycle models to estimate the material lifetime, a critical uncertainty in the deployment of DAC technologies.

36 MATERIALS SCIENCE↗