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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

Electronic Interactions in the Bacterial Reaction Center Revealed by Two-Color 2D Electronic Spectroscopy

The bacterial reaction center (BRC) serves as an important model system for understanding the charge separation processes in photosynthesis. Knowledge of the electronic structure of the BRC is critical for understanding its charge separation mechanism. While it is well-accepted that the "special pair" pigments are strongly coupled, the degree of coupling among other BRC pigments has been thought to be relatively weak. Here we study the W(M250)V mutant BRC by two-color two-dimensional electronic spectroscopy to correlate changes in the Q(x) region with excitation of the Q(y) transitions. The resulting Q(y)-Q(x) cross-peaks provide a sensitive measure of the electronic interactions throughout the BRC pigment network and complement one-color 2D studies in which such interactions are often obscured by energy transfer and excited-state absorption signals. Our observations should motivate the refinement of electronic structure models of the BRC to facilitate improved understanding of the charge separation mechanism.

Konar, Arkaprabha↗

Investigation of foam flotation and phase partitioning techniques

The present status of foam flotation as a separation process is evaluated and limitations for cells and proteins are determined. Possible applications of foam flotation to separations in microgravity are discussed. Application of the fluid mechanical aspects of foam separation techniques is made to phase partitioning in order to investigate the viscous drag forces that may effect the partitioning of cells in a two phase poly(ethylene glycol) and dextran system.

Currin, B. L.↗

Preparative electrophoresis for space

A premise of continuous flow electrophoresis is that removal of buoyance-induced thermal convection caused by axial and lateral temperature gradients results in ideal performance of these instruments in space. Although these gravity dependent phenomena disturb the rectilinear flow in the separation chamber when high voltage gradients or thick chamber are used, distortion of the injected sample stream due to electrodynamic effects cause major broadening of the separated bands. The electrophoresis separation process is simple, however flow local to the sample filament produced by the applied electric field were not considered. These electrohydrodynamic flows distort the sample stream and limit the separation. Also, electroosmosis and viscous flow combine to further distort the process. A moving wall concept is being proposed for space which will eliminate and control the disturbances. The moving wall entrains the fluid to move as a rigid body and produces a constant residence time for all samples distributed across the chamber thickness. The moving wall electrophoresis chamber can only be operated in space because there is no viscous flow in the chamber to stabilize against thermal convection.

Rhodes, Percy H.↗

Preparative electrophoresis for space

A premise of continuous flow electrophoresis is that removal of buoyancy-induced thermal convection caused by axial and lateral temperature gradients results in ideal performance of these instruments in space. Although these gravity dependent phenomena disturb the rectilinear flow in the separation chamber when high voltage gradients or thick chambers are used, distortion of the injected sample stream due to electrohydrodynamic effects cause major broadening of the separated bands. The electrophoresis separation process is simple, however flow local to the sample filament produced by the applied electric field have not been considered. These electrohydrodynamic flows distort the sample stream and limit the separation. Also, electroosmosis and viscous flow combine to further distort the process. A moving wall concept is being proposed for space which will eliminate and control the disturbances. The moving wall entrains the fluid to move as a rigid body and produces a constant residence time for all samples distributed across the chamber thickness. The moving wall electrophoresis chamber can only be operated in space because there is no viscous flow in the chamber to stabilize against thermal convection.

Rhodes, Percy H.↗

Final science results: Spacelab J

This report contains a brief summary of the mission science conducted aboard Spacelab J (SL-J), a joint venture between the National Aeronautics and Space Administration (NASA) and the National Space Development Agency (NASDA) of Japan. The scientific objectives of the mission were to conduct a variety of material and life science experiments utilizing the weightlessness and radiation environment of an orbiting Spacelab. All 43 experiments were activated; 24 in microgravity sciences (material processing, crystal growth, fluid physics, and acceleration measurement) and 19 in life sciences (physiology, developmental biology, radiation effects, separation processes, and enzyme crystal growth). In addition, more than a dozen experiments benefited from the extra day through either additional experiment runs or extended growth time.

Leslie, Fred↗

Capacitive Deionization for the Extraction and Recovery of Butyrate

Separation processes underpin chemical manufacturing, energy and fuel production, resource recovery, and water purification. Capacitive deionization (CDI) is an electrochemical separation technique based on electrosorption of charged species from an aqueous solution. This work reports the development and application of CDI for the extraction and recovery of butyrate, a carboxylate anion that is key to bioenergy production, among other applications. Electrosorption of sodium butyrate was evaluated using a bench-scale CDI system with activated carbon cloth electrodes. Applying an external potential (1.2 V) enhanced the adsorption capacity of activated carbon for butyrate by 250%. Reversible electrosorption was also demonstrated by extracting and recovering butyrate at 1.2 and 0 V, respectively. Performance metrics including butyrate adsorption and desorption capacities, adsorption and desorption rates, charge efficiency, energy consumption, and recovery are reported. Furthermore, this study also investigates the long-term operational stability of the system by cycling the cell more than 1000 times using 1.2 and 0 V for charging and discharging, respectively. Subsequent physicochemical characterization indicates increased oxygen content (from similar to 2% to >8%), decreased specific surface area (by similar to 20%), and decreased pore volume (by similar to 20%), attributed to carbon oxidation. Overall, this work informs the design of CDI for organic anion separation and recovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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.↗

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↗

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↗

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↗

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↗

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.↗

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.↗

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.↗

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↗

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↗

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↗