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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Development and fabrication of sealed silver-zinc cells, phase 1

A facility was designed, constructed and equipped for the production of prismatic alkaline rechargeable battery cells using inorganic (ceramic) separators. This unique facility is environmentally controlled and contains separate areas for electrode fabrication, separator processing, cell assembly, cell finishing and testing. An initial production run of 125 sealed silver zinc cells, using inorganic separators, was made in the facility in order to provide samples for baseline performance tests. Ten of these cells were given performance characterization and life cycle tests.

Blake, I. C.↗
DOE OSTI2019

Advanced Modeling of Contaminant Fate and Transport in Soil and Groundwater from F-Canyon and the Central Laboratory Facility

F-Canyon (221-F) was constructed in the early 1950's and, together with FB Line, began operations in 1954 as the main processing facilities in FArea of SRS. The primary operations conducted in F-Canyon and FB Line included the separation and recovery of Pu-239 and U-238 from irradiated materials and the stabilization of plutonium residues. The F/H Laboratory Complex consists of buildings 772-F, 772-1F, and 772-4F which began operations in 1954, 1987, and 1993, respectively. The primary mission of the F/H Laboratory Complex for the last 45 years has been to support the chemical separations processing activities at Building 221-F and H-Canyon. The objective of this study is to determine the radionuclide and hazardous material holdup in F-Canyon and its support facilities, and to evaluate In-Situ Disposal (ISD) alternatives for deactivation and decommissioning (D and D) of these facilities to ensure groundwater protection and environmental compliance with the South Carolina Department of Health and Environmental Services (SCDHES) and the United States Environmental Protection Agency (USEPA). GoldSim is a dynamic probabilistic simulation software that allows modeling of chemical mass transport through engineered and environmental systems For this study, it will model the potential future release of radiological contamination through the vadose zone, Upper Three Runs (UTR) Aquifer and the Upper Three Runs Creek. Using a GoldSim model developed for building 235-F D and D, contaminant inventories as well as building geometry were updated to create the basis of the new F-Canyon model. The inventories from F-Canyon, FB Line, and the 800 Series Tanks (Tanks 804, 808, and 809) as well as F/H labs (including buildings 772-F, 772-1F, and 772- 4F) were used to make a total of four sources. The concentrations of total uranium and beta-gamma are within compliance for the study, while radium and alpha concentrations exceed their MCL's around 30,000 years and total effective water dose exceeds its MCL around 1,200 years. This suggests that some level of action will be needed to meet SCDHES and USEPA requirements. This evaluation was conducted only for the no-action alternative. Consideration and modeling of other alternatives will be required in the future to determine the best ISD alternative for D and D of F-Canyon and F/H labs with regard to groundwater protection, worker safety, and financial cost.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Hydrogen‐Bonded Polyimide/Metal‐Organic Framework Hybrid Membranes for Ultrafast Separations of Multiple Gas Pairs

Abstract Membranes have seen a growing role in mitigating the extensive energy used for gas separations. Further expanding their effectiveness in reducing the energy penalty requires a fast separation process via a facile technique readily integrated with industrial membrane formation platforms, which has remained a challenge. Here, an ultrapermeable polyimide/metal‐organic framework (MOF) hybrid membrane is reported, enabling ultrafast gas separations for multiple applications (e.g., CO 2 capture and hydrogen regeneration) while offering synthetic enhanced compatibility with the current membrane manufacturing processes. The membranes demonstrate a CO 2 and H 2 permeability of 2494 and 2932 Barrers, respectively, with a CO 2 /CH 4 , H 2 /CH 4 , and H 2 /N 2 selectivity of 29.3, 34.4, and 23.8, respectively, considerably surpassing the current Robeson permeability–selectivity upper bounds. At a MOF loading of 55 wt%, the membranes display a record‐high 16‐fold enhancement of H 2 permeability comparing with the neat polymer. With mild membrane processing conditions (e.g., a heating temperature less than 80 °C) and a performance continuously exceeding Robeson upper bounds for over 5300 h, the membranes exhibit enhanced compatibility with state‐of‐the‐art membrane manufacturing processes. This performance results from intimate interactions between the polymer and MOFs via extensive, direct hydrogen bonding. This design approach offers a new route to ultraproductive membrane materials for energy‐efficient gas separations.

Ma, Canghai↗
DOE OSTI2020

Sustainable Direct Recycling of Lithium-Ion Batteries via Solvent Recovery of Electrode Materials

Separation of electrode materials from their current collectors is an enabling step toward recovering critical materials from spent lithium-ion batteries. In this study, a highly efficient, cost-effective, and environmentally sustainable separation process was developed for that purpose. Ethylene glycol, a vital commodity chemical as an antifreeze and polymer precursor, is used to delaminate electrode materials at low temperatures in seconds without altering the crystalline structure and morphology of active electrode materials. The recovered current collectors were intact without any corrosion. The authors also found that the solvent could be continuously reused, leading to the development of a closed-loop ecosystem and lithium-ion battery circular economy. The ultrafast delamination was driven by the competitive inhibition of binding through the weakening of hydrogen bonding. The ethylene glycol-based separation is a sustainable electrode recovery process that paves the way for battery recycling.

25 ENERGY STORAGE↗
DOE OSTI2013

Thermodiffusion in concentrated ferrofluids: A review and current experimental and numerical results on non-magnetic thermodiffusion

Ferrofluids are colloidal suspensions consisting of magnetic nanoparticles dispersed in a carrier liquid. Their thermodiffusive behaviour is rather strong compared to molecular binary mixtures, leading to a Soret coefficient (S{sub T}) of 0.16 K{sup −1}. Former experiments with dilute magnetic fluids have been done with thermogravitational columns or horizontal thermodiffusion cells by different research groups. Considering the horizontal thermodiffusion cell, a former analytical approach has been used to solve the phenomenological diffusion equation in one dimension assuming a constant concentration gradient over the cell's height. The current experimental work is based on the horizontal separation cell and emphasises the comparison of the concentration development in different concentrated magnetic fluids and at different temperature gradients. The ferrofluid investigated is the kerosene-based EMG905 (Ferrotec) to be compared with the APG513A (Ferrotec), both containing magnetite nanoparticles. The experiments prove that the separation process linearly depends on the temperature gradient and that a constant concentration gradient develops in the setup due to the separation. Analytical one dimensional and numerical three dimensional approaches to solve the diffusion equation are derived to be compared with the solution used so far for dilute fluids to see if formerly made assumptions also hold for higher concentrated fluids. Both, the analytical and numerical solutions, either in a phenomenological or a thermodynamic description, are able to reproduce the separation signal gained from the experiments. The Soret coefficient can then be determined to 0.184 K{sup −1} in the analytical case and 0.29 K{sup −1} in the numerical case. Former theoretical approaches for dilute magnetic fluids underestimate the strength of the separation in the case of a concentrated ferrofluid.

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

Molecular Simulations Probing the Adsorption and Diffusion of Ammonia, Nitrogen, Hydrogen, and Their Mixtures in Bulk MFI Zeolite and MFI Nanosheets at High Temperature and Pressure

Recent advances in the synthesis of MFI zeolite nanosheets have led to highly selective membranes that are promising candidates for small-scale ammonia separation from ammonia/nitrogen/hydrogen mixtures in distributed green ammonia production plants. Using force-field-based molecular simulations, we evaluate the performance of bulk all-silica MFI zeolite and a 3 nm thick all-silica MFI nanosheet for ammonia/nitrogen/hydrogen separations at moderate temperature and pressure conditions (T = 373 K, p = 5 bar) as well as conditions relevant for a membrane-based reactor–separator process (T = 523 or 623 K, p = 80 bar). Isobaric–isothermal Gibbs ensemble Monte Carlo (GEMC) simulations were carried out to understand the selective adsorption behavior for these mixtures. Molecular dynamics simulations in the canonical ensemble were performed to examine the transport behavior of ammonia in a mixture with nitrogen or hydrogen at loadings obtained from the GEMC simulations. Our results show that both bulk MFI and the nanosheet with explicit surface silanols are highly selective toward ammonia adsorption, but the adsorption selectivity decreases by factors of 4 and 10 for ammonia/nitrogen and ammonia/hydrogen mixtures as the temperature is increased from 373 to 623 K. Conversely, the diffusion selectivities toward ammonia are more favorable at process-relevant temperatures and for the MFI nanosheet. Here, at T = 523 K and p = 80 bar, our simulations predict overall separation factors of 3.8 ± 0.2 and 4.5 ± 0.3 for ammonia/nitrogen and ammonia/hydrogen mixtures, respectively, in the bulk MFI zeolite, and separation factors of 8.6 ± 0.4 and 12.5 ± 0.8, respectively, for the MFI nanosheet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Separation in Binary Alloys

Studies of monotectic alloys and alloy analogs reviewed. Report surveys research on liquid/liquid and solid/liquid separation in binary monotectic alloys. Emphasizes separation processes in low gravity, such as in outer space or in free fall in drop towers. Advances in methods of controlling separation in experiments highlighted.

Frazier, D. O.↗
NASA NTRS1985

Cell Partition in Two Polymer Aqueous Phases

In a reduced gravity environment the two polymer phases will not separate via density driven settling in an acceptably short length of time. It is to be expected that a certain amount of phase separation will take place, however, driven by the reduction in free energy gained when the interfacial area is reduced. This stage of separation process will therefore depend directly on the magnitude of the interfacial tension between the phases. In order to induce complete phase separation in a short time, electric field-induced separation which occurs because the droplets of one phase in the other have high electrophoretic mobilities which increase with droplet size was investigated. These mobilities are significant only in the presence of certain salts, particularly phosphates. The presence of such salts, in turn has a strong effect on the cell partition behavior in dextran-poly (ethylene glycol) (PEG) systems. The addition of the salts necessary to produce phase drop mobilities has a large effect on the interfacial tensions in the systems.

Brooks, D. E.↗
NASA NTRS1999

Methane Pyrolysis and Disposing Off Resulting Carbon

Sabatier/Electrolysis (S/E) is a leading process for producing methane and oxygen for application to Mars ISPP. One significant problem with this process is that it produces an excess of methane for combustion with the amount of oxygen that is produced. Therefore, one must discard roughly half of the methane to obtain the proper stoichiometric methane/oxygen mixture for ascent from Mars. This is a waste of hydrogen, which must be brought from Earth and is difficult to transport to Mars and store on Mars. To reduce the problem of transporting hydrogen to Mars, the S/E process can be augmented by another process which reduces overall hydrogen requirement. Three conceptual approaches for doing this are (i) recover hydrogen from the excess methane produced by the S/E process, (ii) convert the methane to a higher hydrocarbon or other organic with a lower H/C ratio than methane, and (iii) use a separate process (such as zirconia or reverse water gas shift reaction) to produce additional oxygen, thus utilizing all the methane produced by the Sabatier process. We report our results here on recovering hydrogen from the excess methane using pyrolysis of methane. Pyrolysis has the advantage that it produces almost pure hydrogen, and any unreacted methane can pass through the S/E process reactor. It has the disadvantage that disposing of the carbon produced by pyrolysis presents difficulties. The goals of a research program on recovery of hydrogen from methane are (in descending priority order): 1) Study the kinetics of pyrolysis to arrive at a pyrolysis reactor design that produces high yields in a confined volume at the lowest possible operating temperature; 2) Study the kinetics of carbon burnoff to determine whether high yields can be obtained in a confined volume at acceptable operating temperatures; and 3) Investigate catalytic techniques for depositing carbon as a fine soot which can be physically separated from the reactor. In the JPL program, we have made significant measurements in regard to goal 1, cursory measurements in regard to goal 2, and would plan to pursue goal 3 if additional resources are secured.

Sharma, P. K.↗
DOE OSTI2023

BEYONDPLANCK XIII. Intensity foreground sampling, degeneracies, and priors

We present the intensity foreground algorithms and model employed within the BEYONDPLANCK analysis framework. The BEYONDPLANCK analysis is aimed at integrating component separation and instrumental parameter sampling within a global framework, leading to complete end-to-end error propagation in the Planck Low Frequency Instrument (LFI) data analysis. Given the scope of the BEYONDPLANCK analysis, a limited set of data is included in the component separation process, leading to foreground parameter degeneracies. In order to properly constrain the Galactic foreground parameters, we improve upon the previous Commander component separation implementation by adding a suite of algorithmic techniques. These algorithms are designed to improve the stability and computational efficiency for weakly constrained posterior distributions. These are: (1) joint foreground spectral parameter and amplitude sampling, building on ideas from MIRAMARE; (2) component-based monopole determination; (3) joint spectral parameter and monopole sampling; and (4) application of informative spatial priors for component amplitude maps. We find that the only spectral parameter with a significant signal-to-noise ratio using the current BEYONDPLANCK data set is the peak frequency of the anomalous microwave emission component, for which we find $ν$ p = 25.3 ± 0.5 GHz; all others must be constrained through external priors. Future works will be aimed at integrating many more data sets into this analysis, both map and time-ordered based, thereby gradually eliminating the currently observed degeneracies in a controlled manner with respect to both instrumental systematic effects and astrophysical degeneracies. When this happens, the simple LFI-oriented data model employed in the current work will need to be generalized to account for both a richer astrophysical model and additional instrumental effects. This work will be organized within the Open Science-based COSMOGLOBE community effort.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Tightly integrated single- and multi-crystal data collection strategy calculation and parallelized data processing in JBluIce beamline control system

The calculation of single- and multi-crystal data collection strategies and a data processing pipeline have been tightly integrated into the macromolecular crystallographic data acquisition and beamline control software JBluIce . Both tasks employ wrapper scripts around existing crystallographic software. JBluIce executes scripts through a distributed resource management system to make efficient use of all available computing resources through parallel processing. The JBluIce single-crystal data collection strategy feature uses a choice of strategy programs to help users rank sample crystals and collect data. The strategy results can be conveniently exported to a data collection run. The JBluIce multi-crystal strategy feature calculates a collection strategy to optimize coverage of reciprocal space in cases where incomplete data are available from previous samples. The JBluIce data processing runs simultaneously with data collection using a choice of data reduction wrappers for integration and scaling of newly collected data, with an option for merging with pre-existing data. Data are processed separately if collected from multiple sites on a crystal or from multiple crystals, then scaled and merged. Results from all strategy and processing calculations are displayed in relevant tabs of JBluIce .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Initial Assessment of TeF 6 Adsorption

Research and development that supports the management of off-gases from nuclear fuel reprocessing has historically been focused on the off-gas streams that arise from aqueous reprocessing technology. However, as Gen-IV reactor development pathways move toward deployment, alternative spent nuclear fuel (SNF) processing and disposition pathways have been considered more actively. This work is focused upon aspects of fluoride volatility (FV) processing. The versatility of this method for deployment against multiple types of spent fuel encourages the continued advancement of both the primary separations processes and the secondary processes, including waste treatment, material control and accountability, and engineering designs. Recent work noted that TeF 6 , the most highly volatile fluorinated compound produced during FV processing, did not have a clear abatement technology recommended in the literature. Thus, this work performed scoping tests on activated alumina and copper shot to assess whether they could be used to remove TeF 6 from gas streams that bear F 2 . Previous work on this topic was not well described in the literature and was not performed with excess F 2 in the stream as would be typical of spent fuel processing via FV. To support an understanding of the concentration of TeF 6 contacting the adsorbent beds, a series of preliminary testing identified the TeF 6 production rate and the equilibrium concentration of TeF 6 in the gas stream contacting the adsorbent. Excess F 2 was determined to not affect the ability of activated alumina to remove TeF 6 from the gas stream quickly and completely. A determination of whether excess F 2 affected the distribution depth of Te in the sorbent bed is still pending analysis of the used sorbent. Literature suggests that when activated alumina is near saturation, TeF 6 could migrate from the sorbent bed. Future testing should investigate this possibility. Copper metal did not adsorb TeF 6 in the presence of F 2 across the sorbent temperature range of 50 to 335°C. F 2 was fully removed by the copper bed. Although preliminary thermodynamics would indicate adsorption to be energetically favorable, other factors that impact adsorption (e.g., slow kinetics, excess fluorine on the copper surface, an unfavorable transition state) are likely preventing the adsorption of TeF 6 at an easily measurable rate. The work also investigated TeF 6 production from multiple forms of Te in the temperature range of 100 to 250°C. No previous study had assessed the initial reaction rates for this process. A carefully designed study allowed determination of the activation energy for the production of TeF 6 from Te metal. The substantial amount of data collected during this study merits analysis beyond what is described here. A more in-depth kinetic analysis will be pursued. Additional analytical results will provide the ability to benchmark adsorption coefficients for TeF 6 , understand the distribution of TeF 6 within the alumina bed, and better understand the effect of F 2 partial pressure on Te fluorination. The data from this report, as supplemented by these additional analyses, will be submitted to a peer-reviewed journal.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

High Yield, Economical and Environmentally Benign Production of Rare Earth Elements from Coal Ash [Abstract]

Fly ash stored in landfills and ponds across the United States is an attractive, abundant domestic resource for the cost-effective recovery of rare earth elements (REE) and other critical minerals (CM). Physical Sciences Inc. (PSI) and its team members, Winner Water Services (WWS) and University of Kentucky/Center for Applied Energy Research (UK/CAER) successfully executed a multiphase program that developed and demonstrated pilot plant operations for cost-effective and environmentally-friendly production of rare earth element oxide (REO) concentrates, and the critical minerals scandium and aluminum (in the forms of salts or oxide products). We constructed and operated a sub-scale (0.5 kg/day) micropilot facility to demonstrate the key physical and chemical processing operations, predict yields, and troubleshoot process bottlenecks. The project team then designed, constructed and operated two decoupled pilot plant operations: (1) an operational pilot plant for physical separation processes with a capacity of 0.4 metric tons per day (tpd) where we optimized processes to produce selected ash fractions as the feedstock for chemical processing as well as valuable byproducts such as cement substitute, cenospheres, magnetic ash and secondary fuel carbon, and (2) an operational pilot plant for chemical processing with a capacity of 0.5 tpd that developed optimized processes for the production of: (a) REO concentrates, (b) critical minerals recovery (Sc, Al), and (c) beneficiated ash as valuable byproduct suitable for cement applications.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2023

On the Onset Delays of Solar Energetic Electrons and Protons: Evidence for a Common Accelerator

The processes responsible for the acceleration of solar energetic particles (SEPs) are still not well understood, including whether SEP electrons and protons are accelerated by common or separate processes. Using a numerical particle transport model that includes both pitch-angle and perpendicular spatial diffusion, we simulate, among other quantities, the onset delay for MeV electrons and protons and compare the results to observations of SEPs from widely separated spacecraft. Such observations have previously been interpreted, in a simple scenario assuming no perpendicular diffusion, as evidence for different electron and proton sources. We show that, by assuming a common particle source together with perpendicular diffusion, we are able to simultaneously reproduce the onset delays for both electrons and protons. We argue that this points toward a common accelerator for these particles. Moreover, a relatively broad particle source is required in the model to correctly describe the observations. This is suggestive of diffusive shock acceleration occurring at large shock structures playing a significant role in the acceleration of these SEPs.

R D Strauss↗
DOE OSTI2020

Modeling and simulation of gas separations with spiral–wound membranes

Models for gas separations with spiral–wound membranes are developed and found to exhibit good agreement with experiments performed on N 2 /O 2 mixtures. The two–dimensional (2D) model can be accurately approximated by a one–dimensional (1D) surrogate model when the spacer widths are chosen to make the channel pressure drops small. Subsequently, the separation of propane/propylene mixtures from the recycle purge stream of a polypropylene reactor is investigated. Assuming ideal gas is found to lead to significant overestimations in membrane stage cuts (sometimes more than 10%), an extent comparable to that associated with extrapolating constant olefin permeance from a low–pressure condition. While olefin permeance can change significantly with pressure, using a constant–permeance formulation can result in a small (< 2.5%) underprediction in stage cut if the value for the permeance is taken from the feed condition. Finally, membrane properties and costs necessary for a viable separation process are discussed.

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

Atomistic origins of biomass recalcitrance in organosolv pretreatment

Separation of lignocellulosic biomass components for use in sustainable energy and biomaterials applications remains challenging, since biopolymers such as cellulose and hemicellulose carbohydrates and polyaromatic lignin are found in close proximity within the plant secondary cell wall. Organic solvents have been used to pretreat recalcitrant biomass and separate the interacting polymers, solubilizing the lignin fraction for lignin-first valorization approaches. However, no single organosolv pretreatment approach has proven superior for heterogeneous biomass samples. Here we present a complementary atomic view of interactions between biomass components using molecular simulations, specific to lignin and cellulose, resolving mechanistic hypotheses for how lignin-cellulose composition influences separation processes. Further, using lignin-cellulose binding free energy calculated using molecular simulations, we find polar protic solvents such as methanol and ethanol separate lignin from cellulose, irrespective of the charge on the lignin monomer. Aprotic organic solvents (DMSO, THF, 1,4-dioxane) separate uncharged lignin (phenols and monolignols) from cellulose, while charged lignin (cinnamates) prefer binding to cellulose.

09 BIOMASS FUELS↗
NASA NTRS1991

FAST - A multiprocessed environment for visualization of computational fluid dynamics

The paper presents the Flow Analysis Software Toolset (FAST) to be used for fluid-mechanics analysis. The design criteria for FAST including the minimization of the data path in the computational fluid-dynamics (CFD) process, consistent user interface, extensible software architecture, modularization, and the isolation of three-dimensional tasks from the application programmer are outlined. Each separate process communicates through the FAST Hub, while other modules such as FAST Central, NAS file input, CFD calculator, surface extractor and renderer, titler, tracer, and isolev might work together to generate the scene. An interprocess communication package making it possible for FAST to operate as a modular environment where resources could be shared among different machines as well as a single host is discussed.

Bancroft, Gordon V.↗
NASA NTRS1999

Methane Pyrolysis and Disposing Off Resulting Carbon

Sabatier/Electrolysis (S/E) is a leading process for producing methane and oxygen for application to Mars ISPP. One significant problem with this process is that it produces an excess of methane for combustion with the amount of oxygen that is produced. Therefore, one must discard roughly half of the methane to obtain the proper stoichiometric methane/oxygen mixture for ascent from Mars. This is wasteful of hydrogen, which must be brought from Earth and is difficult to transport to Mars and store on Mars. To reduced the problem of transporting hydrogen to Mars, the S/E process can be augmented by another process which reduces overall hydrogen requirement. Three conceptual approaches for doing this are (1) recover hydrogen from the excess methane produced by the S/E process, (2) convert the methane to a higher hydrocarbon or other organic with a lower H/C ratio than methane, and (3) use a separate process (such as zirconia or reverse water gas shift reaction) to produce additional oxygen, thus utilizing all the methane produced by the Sabatier process. We report our results here on recovering hydrogen from the excess methane using pyrolysis of methane. Pyrolysis has the advantage that it produces almost pure hydrogen, and any unreacted methane can pass through the S/E process reactor. It has the disadvantage that disposing of the carbon produced by pyrolysis presents difficulties. Hydrogen may be obtained from methane by pyrolysis in the temperature range 10000-12000C. The main reaction products are hydrogen and carbon, though very small amounts of higher hydrocarbons, including aromatic hydrocarbons are formed. The conversion efficiency is about 95% at 12000C. One needs to distinguish between thermodynamic equilibrium conversion and conversion limited by kinetics in a finite reactor.

Sharma, P. K.↗