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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Water and Solute Activities Regulate CO 2 Reduction in Gas-Diffusion Electrodes

Electrolysis of CO 2 at gas-diffusion electrodes (GDEs) has typically been limited by the supply of gas to the electrocatalyst, overshadowing the importance of the supply of water. However, at high current densities that approach 1 A cm –2 , where the electrolyte becomes highly concentrated in the catalyst layer of a GDE, the activity of water and solutes deviate from their bulk dilute solution values, potentially slowing reaction rates and changing reaction equilibrium potentials. In addition, as flow plates for the gas stream are introduced to enable larger electrodes and high single pass conversion of CO 2 to product, variations in the gas composition will become important. By drawing upon literature for the oxygen reduction reaction (ORR), here we explain how to account for these effects in future modeling and experimental work, with particular attention to accurate use of the Nernst equation for electrode potentials and the Arrhenius equation for reaction rates. Specifically, using measurements of KOH solvent and solute activity reported in literature, and assuming the second protonation of CO 2 by water as the rate-determining step, we show the Nernst equation dilute-solution approximation of the CO 2 to CO equilibrium potential to be accurate below 5 M KOH, but it has a 74 mV error when increasing the concentration up to 10 M KOH. Finally, a simple one-dimensional model of a serpentine flow-field on a GDE demonstrated that a reactor with constant pressure of 1 bar and 1 A cm –2 at the inlet had only ~0.3 A cm –2 at the outlet for a conversion in CO 2 partial pressure from 0.90 to 0.48 bar, showing the significant practical implications of this work.

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

Binding and Translocation of Substrate Allosterically Promotes Functional Interactions Within the AlkB–AlkG Electron Transfer Complex

The alkane monooxygenase AlkB and rubredoxin AlkG form an electron transfer complex that hydroxylates terminal alkanes to produce alcohols. The recent cryoEM study of Fontimonas thermophila AlkB-AlkG complex revealed its architecture, including a dodecane (D12) substrate at the active site. However, FtAlkBG molecular mechanism of action of remains unknown. Here, in this study, we examined its dynamics and interactions by multiscale computations, including molecular dynamics simulations, elastic network models, and QM/MM of the oxygen activation mechanism at the AlkB catalytic site. D12 maintained stable interactions within the catalytic site during two MD runs, coordinated by hydrophobic residues L263-L264, I267, I133. A third extended run revealed that D12 could translocate to a membrane-exposed site near S49/F46 along a hydrophobic channel gated by I54. During this translocation, D12 was temporarily stabilized at intermediate sites IS1 (lined by I27/L30-G31/G50/L53-I54/P59/S124/A127-V128) and IS2 (I33-G34/L37/L45-F46/S49) before nearly exiting the protein, and diffused back to the active site, assisted by L30. Substrate binding and translocation across those intermediate sites affects the coupling between the iron centers in AlkBG, and interfacial interactions between AlkB-AlkG. The channel was further connected to the cytosol, near two surface-exposed arginines, potentially allowing for O 2 passage. The allosteric effects between D12 putative entry site, catalytic site and AlkB-AlkG interface were analyzed by ENM-based methods which confirmed the cooperative perturbation-responses and strongly correlated movements of residues belonging to those distal regions. Our study provides new mechanistic insights into key sites and their interactions that could be targeted for developing AlkB-variants with desirable alkane conversion functions.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

Effect of gravity on the stability and structure of lean hydrogen-air flames

Detailed, time-dependent, 2D numerical simulations with full hydrogen-oxygen chemistry are used to investigate the effects of gravity on the stability and structure of laminar flames in lean, premixed hydrogen-air mixtures. The calculations show that the effects of gravity becomes more important as the lean flammability limit is approached. In a 12 percent hydrogen-air mixture, gravity plays only a secondary role in determining the multidimensional structure of the flame with the stability and structure of the flame controlled primarily by the thermo-diffusive instability mechanism. However, in leaner hydrogen-air mixtures gravity becomes more important. Upward-propagating flames are highly curved and evolve into a bubble rising upwards in the tube. Downward-propagating flames are flat or even oscillate between structures with concave and convex curvatures. The zero-gravity flame shows only cellular structures. Cellular structures which are present in zero gravity can be suppressed by the effect of buoyancy for mixtures leaner than 11 percent hydrogen. These observations are explained on the basis of an interaction between the processes leading to buoyancy-induced Rayleigh-Taylor instability and the thermo-diffusive instability.

Patnaik, G.↗
NASA NTRS1985

Calculation of charge-state ratios for satellite Tor I

The diffusion of ions in a satellite plasma torus is presently modeled in terms of a one-dimensional random walk in which the particle source is at 0, the particle sink is at an N value that is an integer greater than 2, and the scale size of the diffusion cell is unity. The probability distribution function of the number of steps to exit for an ion is obtained and used in a model which incorporates ionization by electron impact to derive steady state expressions for the ratio of doubly to singly ionized ions, as well as the total number of ions in the torus. The results thus obtained are applied to the torus of the Jovian satellite Io, in order to predict mean residence times for sulfur and oxygen ions.

Summers, D.↗
NASA NTRS1988

Modelling ignition characteristics of rich H2/O2 mixture in a monolithic catalytic reactor

Ignition of rich hydrogen-oxygen mixture in a monolithic catalytic reactor is studied using a transient combustion model. The model assumes a quasi-steady gas phase and a thermally-thin substrate. The ignition time lag is due to the thermal inertia of the substrate. One-step global chemical reaction is assumed both on the surface and in the gas phase. An effectiveness factor is introduced to account for the transition from a kinetically-limited catalytic surface reaction to a diffusion-limit one during ignition. Results presented include a catalytic ignition boundary, ignition delay time and the transient response in the catalytic bed.

Tien, Ta-Ching↗
NASA NTRS1989

Three-Man Solid Electrolyte Carbon Dioxide Electrolysis Breadboard

The development of the Three-Man (2.2 lb CO2/man-day) Solid Electrolyte CO2 Electrolysis Breadboard consisted of a Phase 1 and 2 effort. The Phase 1 effort constituted fabrication of three electrolysis cell types and performing parametric testing, off-design testing, and cell life testing. The Phase 2 consisted of the preliminary design, incorporation of palladium (Pd) tubes for hydrogen separation from the electrolyzer cathode feed gases, design support testing, final design, fabrication, and performance testing of the breadboard system. The results of performance tests demonstrated that CO2 electrolysis in an oxygen reclamation system for long duration space-based habitats is feasible. Closure of the oxygen system loop, therefore, can be achieved by CO2 electrolysis. In a two step process the metabolic CO2 and H2O vapor are electrolyzed into O2, H2, and CO. The CO can subsequently be disproportionated into carbon and CO2 in a carbon deposition reactor and the CO2 in turn be recycled and electrolyzed for total O2 recovery. The development effort demonstrated electrolyzer system can be designed and built to operate safely and reliably and the incorporation of Pd tubes for hydrogen diffusion can be integrated safely with predictable performance.

Isenberg, Arnold O.↗
NASA NTRS2007

First Terrestrial Soft X-Ray Auroral Observation by the Chandra X-Ray Observatory

Northern auroral regions of Earth were imaged with energetic photons in the 0.1-10keV range using the High-Resolution Camera (HRC-I) aboard the Chandra X-ray Observatory at 10 epochs (each approx.20 min duration) between mid- December 2003 and mid-April 2004. These observations aimed at searching for Earth's soft (< 2 keV) X-ray aurora in a comparative study with Jupiter's X-ray aurora, where a pulsating X-ray "hot-spot" has been previously observed by Chandra. The first Chandra soft X-ray observations of Earth's aurora show that it is highly variable 0ntense arcs, multiple arcs, diffuse patches, at times absent). In at least one of the observations an isolated blob of emission is observed near the expected cusp location. A fortuitous overflight of DMSP satellite F13 provided SSJ/4 energetic particle measurements above a bright arc seen by Chandra on 24 January 2004, 20:01-20:22 UT. A model of the emissions expected strongly suggests that the observed soft X-ray signal is bremsstrahlung and characteristic K-shell line emissions of nitrogen and oxygen in the atmosphere produced by electrons.

Bhardwaj, Anil↗
NASA NTRS2016

Electromagnetic Basis of Metabolism and Heredity

Living organisms control their cellular biological clocks to maintain functional oscillation of the redox cycle, also called the "metabolic cycle" or "respiratory cycle". Organization of cellular processes requires parallel processing on a synchronized time-base. These clocks coordinate the timing of all biochemical processes in the cell, including energy production, DNA replication, and RNA transcription. When this universal time keeping function is perturbed by exogenous induction of reactive oxygen species (ROS), the rate of metabolism changes. This causes oxidative stress, aging and mutations. Therefore, good temporal coordination of the redox cycle not only actively prevents chemical conflict between the reductive and oxidative partial reactions; it also maintains genome integrity and lifespan. Moreover, this universal biochemical rhythm can be disrupted by ROS induction in vivo. This in turn can be achieved by blocking the electron transport chain either endogenously or exogenously by various metabolites, e.g. hydrogen sulfide (H2S), highly diffusible drugs, and carbon monoxide (CO). Alternatively, the electron transport in vivo can be attenuated via a coherent or interfering transfer of energy from exogenous ultralow frequency (ULF) and extremely low frequency (ELF) electromagnetic (EM) fields, suggesting that-on Earth-such ambient fields are an omnipresent (and probably crucially important) factor for the time-setting basis of universal biochemical reactions in living cells. Our work demonstrated previously un-described evidence for quantum effects in biology by electromagnetic coupling below thermal noise at the universal electron transport chain (ETC) in vivo.

Electromagnetic↗
NASA NTRSDate not supplied

Ice Growth Model and Lunar Tanker for Polar Water Extraction

In-Situ Resource Utilization (ISRU) is a major component of sustainable and cost-effective missions to the Moon and beyond. Ever since it has been identified in the Permanently Shadowed Regions (PSRs) of the Moon, water has become a resource of interest for it’s wide range of uses such as life support and hydrogen and oxygen rocket propellant. It is ice-bound in the regolith, so separation typically involves heating to sublimation temperatures and capturing at very low pressure. One option is to then store it in ice form and transport it out of the PSR and into a sunlit ridge. From here, processes such as electrolysis can be performed. An understanding of frost growth dynamics under rarefied conditions is necessary for successful water production, though. An analytical model was developed using a Diffusion-Limited Aggregation (DLA) approach to evaluate bulk thermal conductivity changes of frost under varying conditions. This model will be evaluated using a one-dimensional frost growth experiment on a horizontal, flat plate under vacuum and cryogenic conditions. The tests will measure frost growth rate and bulk density, and the thermal conductivity of the ice layer as a function of thickness for different plate temperatures. The test data will then be used to validate and improve the analytical model.

Lunar water↗
NASA NTRS1990

Electron temperature and concentration in a thermal atomic oxygen source

A thermal atomic oxygen source for materials screening was built for NASA by Boeing Aerospace. The objective here was to use a microwave interferometer and Langmuir probe to characterize the electron concentration in this thermal atomic oxygen source. Typical operating conditions in the thermal atomic oxygen source were found to produce electron concentrations that were well below the detection threshold of the interferometer (10(exp 8) cm (sup -3)). The researchers calibrated (with the interferometer) the Langmuir probe at an artificially high plasma density and then used the circular and the square Langmuir probes to measure the low electron concentrations that exist during materials exposure tests. Electron concentration was measured as a function of power and position. The electrons were lost to the walls through ambipolar diffusion, and their concentration was accurately described by an equation. The electron concentration was proportional to power squared and decayed exponentially with distance.

Pedrow, Patrick Dennis↗
NASA NTRS1993

Influence of test configuration on the combustion characteristics of polymers as ignition sources

The experimental evaluation of polymers as ignition sources for metals was accomplished at the NASA White Sands Test Facility (WSTF) using a standard promoted combustion test. These tests involve the transient burning of materials in high-pressure oxygen environments. They have provided data from which design decisions can be made; data include video recordings of ignition and non-ignition for specific combinations of metals and polymers. Other tests provide the measured compositions of combustion products for polymers at select burn times and an empirical basis for estimating burn rates. With the current test configuration, the detailed analysis of test results requires modeling a three-dimensional, transient convection process involving fluid motion, thermal conduction and convection, the diffusion of chemical species, and the erosion of sample surface. At the high pressure extremes, it even requires the analysis of turbulent, transient convection where the physics of the problem are not well known and the computation requirements are not practical at this time. An alternative test configuration that can be analyzed with a relatively-simple convection model was developed during the summer period. The principal change constitutes replacing a large-diameter polymer disk at the end of the metal test rod with coaxial polymer cylinders that have a diameter nearer to that of the metal rod. The experimental objective is to assess the importance of test geometries on the promotion of metal ignition by testing with different lengths of the polymer and, with an extended effort, to analyze the surface combustion in the redesigned promoted combustion tests through analytical modeling of the process. The analysis shall use the results of cone-calorimeter tests of the polymer material to model primary chemical reactions and, with proper design of the promoted combustion test, modeling of the convection process could be conveniently limited to a quasi-steady boundary layer analysis where the economical solution of parabolic equations is involved. The products for the summer period are: (1) a conceptual-level redesign of the test apparatus, and (2) the development and use of an approximate integral boundary layer analysis to demonstrate the influence of geometry changes prior to testing. A computer code STAN5, an accurate numerical boundary layer model whose earlier versions were developed for the NASA Lewis Research Center by the Fellow, also was installed and validated on the WSTF and New Mexico State University computer systems as a starting point in the development of a more detailed fluid mechanics and combustion model.

Julien, Howard L.↗
DOE OSTI2024

Fast Oxygen Redox Kinetics Induced by CoO 6 Octahedron With π –Interaction in P2–Type Sodium Oxides

Enhancing the kinetics of lattice oxygen redox (LOR) in P2-type layered sodium oxide cathodes is crucial for the advancement of sodium-ion batteries (SIBs) with superior energy and power densities. Electronic structure regulation stands out as a highly effective approach to address the inherent limitations of P2-type layered oxides with LOR, including sluggish kinetics, phase transitions, voltage hysteresis, and local structural distortion. In this work, a strategy involving the introduction of CoO 6 octahedra with π-interaction into Na 0.6 Li 0.1 Fe 0.3–x Co x Mn 0.6 O 2 (x = 0, 0.15, 0.3) cathodes to facilitate Na-ion transport is proposed. Furthermore, the impact of FeO 6 octahedra with σ-interaction in P2-type cathodes on electrochemical performance is comprehensively investigated. Through multimodal in-situ and ex-situ characterization techniques, it is revealed that Co–O with π-interaction effectively mitigates P2-OP4 phase transitions by strengthening Na–O, reduces voltage hysteresis, and stabilizes the local structure. Consequently, Na 0.6 Li 0.1 Co 0.3 Mn 0.6 O 2 demonstrates enhanced Na-ion diffusion kinetics, leading to improved rate performance and a reversible capacity of 55 mAh g –1 at 10 C, significantly outperforming cathodes with Fe–O σ-interaction. Moreover, when coupled with hard carbon, the full cell achieves a remarkable energy density of 395 Wh kg –1 (on cathode) at 0.1 C, with a capacity retention of 75% over 100 cycles at 1 C.

25 ENERGY STORAGE↗
DOE OSTI2025

Metal oxide candidates for thermochemical water splitting obtained with a generative diffusion model

Generative diffusion models (DMs) for inorganic crystalline materials are being actively investigated for their potential to expand the chemical and structural design spaces for known functional materials. Generative candidates are particularly useful for applications where few functional, let alone commercially viable, materials currently exist, such as metal oxides for thermochemical water-splitting, which have strict requirements for defect thermodynamics and host stability. Here, we critically examine generated metal oxides from the M ATTER G EN DM conditioned on select chemical systems for thermochemical water splitting applications. Perhaps most notably, we find that M ATTER G EN predicts a novel, thermodynamically stable, quinary metal oxide, Ba 2 SrInFeO 6 , although this compound represents an ordered and layered substitution within the same A 3 B 2 O 6 structural prototype as its two ternary end members. Detailed density functional theory calculations and spin configuration sampling for this material and its possible decomposition products—beyond what existed in M ATTER G EN training data—are required to quantitatively validate hull energy predictions and conclusions of stability. Furthermore, the material exhibits oxygen defect formation energies appropriate for thermochemical water splitting, warranting targeted investigation in an experimental validation campaign, along with other future M ATTER G EN candidates in this application space.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tracking structural solvent reorganization and recombination dynamics following e – photoabstraction from aqueous I – with femtosecond x-ray spectroscopy and scattering

Here we present a sub-picosecond resolved investigation of the structural solvent reorganization and geminate recombination dynamics following 400 nm two-photon excitation and photodetachment of a valence p electron from the aqueous atomic solute, I–(aq). The measurements utilized time-resolved X-ray Absorption Near Edge Structure (TR-XANES) spectroscopy and X-ray Solution Scattering (TR-XSS) at the Linac Coherent Light Source x-ray free electron laser in a laser pump/x-ray probe experiment. The XANES measurements around the L 1 -edge of the generated nascent iodine atoms (I 0 ) yield an average electron ejection distance from the iodine parent of 7.4 ± 1.5 Å with an excitation yield of about 1/3 of the 0.1M NaI aqueous solution. The kinetic traces of the XANES measurement are in agreement with a purely diffusion-driven geminate iodine–electron recombination model without the need for a long-lived (I 0 :e–) contact pair. Nonequilibrium classical molecular dynamics simulations indicate a delayed response of the caging H 2 O solvent shell and this is supported by the structural analysis of the XSS data: We identify a two-step process exhibiting a 0.1 ps delayed solvent shell reorganization time within the tight H-bond network and a 0.3 ps time constant for the mean iodine–oxygen distance changes. The results indicate that most of the reorganization can be explained classically by a transition from a hydrophilic cavity with a well-ordered first solvation shell (hydrogens pointing toward I–) to an expanded cavity around I 0 with a more random orientation of the H 2 O molecules in a broadened first solvation shell.

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

Tritiated Water Disposition Strategies

Tritium, a radioactive isotope of hydrogen, is typically confined within one or more confinement barriers. Tritium readily reacts with oxygen to form tritiated water or can exchange with protium or deuterium atoms in water to create tritiated water which is around 10,000 times more toxic than elemental tritium. Primary tritium confinement systems can create small volumes of highly tritiated water. Secondary confinement systems, like inert gloveboxes, will produce larger volumes of lower concentration tritiated water. Much larger volumes of tritiated water of very low tritium content are produced by tritium permeation/diffusion. Tritium from inside primary and secondary confinement barriers will diffuse from these systems into cooling water systems. Closed loop, recirculating cooling water systems will slowly accumulate tritium and create concentrations which exceed drinking water (or permitted discharge) concentrations. The cooling water systems designed as series of interconnected cooling loops that can slowly transfer tritium from one cooling loop to another cooling loop through heat exchangers. These large volumes of tritiated water may be above federal discharge limits and also lack convenient disposition pathways. This document will discuss tritiated water management strategies from the perspective of large volume, low tritium concentrations that exceed drinking water or permitted discharge limits. Applicable US regulatory requirements for a Molybdenum-99 (Mo-99) production facility concerning tritiated water are also cited. Tritiated water disposition options, based on typical waste minimization strategies will guide dispositions options. A Case Study example is presented to illustrate the pros and cons of several disposition options. The report does not recommend any particular disposition pathway but discusses strategies to be explored by a producer to guide selection of processes which best fits the needs of a particular waste stream.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1972

Conceptual design study of a six-man solid electrolyte system for oxygen reclamation

A six-man solid electrolyte oxygen regeneration system (SEORS) that will produce 12.5 lbs/day of oxygen has been designed. The SEORS will simultaneously electrolyze both carbon dioxide and water vapor and be suitable for coupling with a carbon dioxide concentration system of either molecular sieve, solid amine or hydrogen depolarized electrochemical type. The total system will occupy approximately 19 cu ft (34.5 in. x .26 in. x 36 in. high) and will weigh approximately 500 pounds. It is estimated that the total electrical power required will be 1783 watts. The system consists of three major components; electrolyzer, hydrogen diffuser, and carbon deposition reactor. There are 108 electrolysis stacks of 12 cells each in the electrolyzer. Only 2/3 of the 108 stacks will be operated at a time; the remainder will be held in reserve. The design calls for 96 palladium membranes for hydrogen removal to give 60 percent redundancy. Four carbon deposition reactors are employed. The iron catalyst tube in each reactor weighs 7.1 lb and 100 percent redundancy is allowed.

Morris, J. P.↗
NASA NTRS1990

High-resolution X-ray spectroscopy of four active galaxies - Probing the intercloud medium

The focal plane crystal spectrometer (FPCS) on the Einstein Observatory has been used to perform a high-resolution spectroscopic search for oxygen X-ray line emission from four active galaxies: Fairall 9, Mrk 421, Mrk 501, and PKS 0548 - 322. Specifically, O VIII Ly-alpha and Ly-beta, whose unredshifted energies are 653 and 775 eV, respectively, were sought. No narrow-line emission was detected within the energy bands searched. Upper limits are calculated on the line flux from these sources of 30 eV equivalent width and use a photoionization model to place corresponding upper limits on the densities of diffuse gas surrounding the active nuclei. The upper limits on gas density range from about 0.02-50/cu cm and probe various radial distances from the central source. This is the first time high-resolution X-ray spectroscopy has been used to place constraints on the intercloud medium in active galaxies.

Lum, Kenneth S. K.↗
DOE OSTI2024

Degradation of Poly- and Perfluoroalkyl Substances (PFAS) in Water via High Power, Energy-Efficient Electron Beam Accelerator

The goal of the 2-year workplan was to see if electron beam (EB) could be used to break down a sub-set of the larger chemical family of per and polyfluoroalkylated substances (PFAS) in an energy efficient and economical manner when compared to conventional water treatment technologies. Year one (Y1) work focused on sample EB treatment work in the Fermi National Accelerator Laboratory’s (FNALs) Accelerator Applications Demonstration and Development (A2D2) EB accelerator. While there are reportedly thousands of types of PFAS, for the point of most of the work herein, a small subset was examined, typically perfluorooctane sulfonate (PFOS) and perfluorooctanoate (PFOA). PFOA and PFOS are two of the most well studied PFAS and are studied for baseline evaluations and are considered most useful. The work from Y1 provided information about the optimal operating parameters and additives to use when treating PFOS and PFOA via EB. The data were then used to see where in a water treatment system an EB accelerator would be best suited to treat PFAS. A conventional water treatment technology, GAC, was then compared to e-beam treatment technology with respect to energy and costs for treatment. In year two (Y2), several conventional e-beam accelerator designs, and FNAL’s developmental compact SRF accelerator design, were evaluated for their suitability in PFAS treatment, from an energy efficiency and cost standpoint. Several EB parameters were evaluated and optimized for the removal of PFOA and PFOS from water at normal pressure and temperature, measured as total PFAS removal. Under the optimized test conditions both PFOA showed complete destruction to inorganic fluoride, and PFOS to inorganic fluoride and sulfate, with mass balance. The effect on PFAS removal relative to solution pH, total EB dose, EB dose rate, dissolved oxygen concentration (DO), temperature, and initial PFAS concentration were evaluated. In general, PFOA was easier to destroy than PFOS. Degradation products, typically observed under less-than-optimal EB conditions, provided insight to degradation mechanisms. Products were identified to rule out possible deleterious biproduct formation. The water radiolysis radical reaction kinetics with PFOS and PFOA were not dependent on the initial concentration over 5-orders of magnitude from 2 μg/L to 20 mg/L. This is thought to be because there was an overabundance of the reactive water radiolysis radicals relative to PFAS molecules and largely attributed to aqueous electrons. The reaction rates appeared to be diffusion limited. Testing at higher concentrations (100-200 mg/L) showed a decrease in removal efficiency, suggesting alternative kinetics, possibly second order rates, at higher concentrations. In all, we successfully defined a set of optimal EB parameters to treat PFOA and PFOS at concentrations of 20 mg/L in water with destruction efficiencies near 100%. We further tested the optimized EB parameters with other types of PFAS, including shorter and longer fluorocarbon chain homologs of PFOA and PFOS, and PFAS with alternative functional groups such as sulfonamides. Based on our results EB can be optimized as an effective destructive technology for removing PFAS from water. The conditions optimized for PFOA and PFOS were less effective with ultra-short fluorocarbon compounds like TFMS, PFES, PFPS and PFBS, and likely require re-optimization of parameters to them. In all, it was determined that from a cost and energy efficiency standpoint, EB would be best applied to waste streams with relatively high concentrations of PFOS and PFOA and is not as cost effective as GAC treatment for removing low concentrations of PFAS from water. Higher concentrations of PFAS can be found in the wastewater of conventional treatment processes such as RO and IE and therefore EB may be used to supplement such treatment technologies. Some real-world IE regeneration wash water and RO reject water containing higher concentrations of PFAS and obtained from pilot scale industrial wastewater treatment system at a fluorochemical manufacturing facility, showed that EB could remove PFAS from such types of wastewaters. The IE regenerant wash water appeared to be the most efficient of the two types of wastewaters tested. However, some further optimization of the EB parameters for the specific PFAS types present in those wastewaters may be required. Also, the effects of co-present TOC and mineral salts should be considered during such optimization efforts. From the experimental Y1 results it was seen that the aqueous electron drives degradation of the PFAS. In a hypothetical water treatment skid using EB for PFAS destruction the parameters of the system should be optimized to promote aqueous electron production. Before EB treatment, the PFAS should be preconcentrated when possible, the pH should be raised to pH 10 or higher to enhance aqueous electron production, and the water should be nitrogen purged to remove dissolved oxygen to minimize aqueous electron scavenging. An excel spreadsheet was created that calculates optimal conditions based on inlet PFAS concentration and desired outlet concentration, by optimizing the accelerator power, dose rate, water treatment rate, pH and dissolved oxygen levels to reach the desired endpoint. Given this information on accelerator operating conditions five different EB accelerator systems were compared. One EB system was a continuous-wave, linear superconducting accelerator being designed at Fermilab. Three other EB systems (IMPELA at 5% and 25% duty factor and the ILU-14) were normal conducting pulsed linear accelerators. The fifth system was an IBA Rhodotron which is a normal conducting, circular, continuous-wave accelerator. The accelerator efficiency (% of the incoming power that is used in water treatment) was the dominating factor in accelerator choice. The radio frequency (RF) power supply and the accelerator design (superconducting versus warm technology) drive the accelerator efficiency. The IBA Rhodotron was seen to be the most energy efficient commercially available technology with a wall-plug (total) power efficiency of 43% at 400 kW. The Fermilab design, with a prototype for a different application currently being fabricated, was the most energy efficient at 55% when driven by a Klystron RF power supply and as high as 77% when powered by a magnetron. As the Fermilab design was the most energy efficient by approximately 10-30%, further design work was done on the accelerator and beam delivery system specific to the destruction of PFAS in water. The Fermilab design is unique from industrial accelerators in that is superconducting. Superconducting technology allows for the acceleration of electrons without losses. The accelerator must be cooled to below the point where it is superconducting and is operated around 4 degrees Kelvin. The bulk of the design work for the accelerator is on making the accelerator as energy efficient as possible so that it does not require liquid helium and can be cooled with conduction cooling via cryocoolers. Final design work resulted in an EB accelerator that would operate at minimally 200 kW and 10 MeV. Prototype construction would cost $\$ $7.8 million dollars when driven by a Klystron power supply. A second version of the same accelerator would cost $\$ $5.5 million dollars when driven by a magnetron that is still under development. The commercially available 300 kW IBA Rhodotron cost was estimated at approximately $\$ $9 million. While it is hard to directly compare, an operational GAC system used by 3M for groundwater treatment capital cost (2022 dollars) was estimated to cost $\$ $3.3 million. While the capital expense of the EB accelerator systems was higher than GAC, the accelerator EB treatment would result in destruction of the PFAS and not just sequestration of PFAS to form a new waste stream that requires further treatment or disposal. The operating cost to destroy the PFAS via 400 kw EB system was less than $\$ $1000/kg of PFAS destroyed when treating at a 20 mg/L PFAS concentration, compared to GAC with operating costs that calculated at $\$ $27,530 per kg of PFAS sequestered when treating 100 μg/L PFOA and PFOS combined concentration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗