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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Design of an Adsorption Bed for Exploration Trace Contaminant Control

The state-of-the-art in long mission duration spacecraft trace contaminant control processes relies on physical and chemical adsorption for contaminant removal. Target species for adsorption include low and semivolatile organic compounds while chemisorption is utilized for metabolic ammonia control. When adsorption is employed in conjunction with a high temperature oxidation process, a complementary impact on cabin air quality may be realized. The adsorption bed also serves to guard the downstream oxidation catalyst from foulants and potential poisons which may decrease its lifetime and activity. To this end, a packed adsorption guard-bed was sized to control a statistical contaminant load model over a simulated Mars transit mission duration. The updated load model incorporates flight air-quality data and contemporary metabolic source emission literature. The guard-bed was operated in tandem with an exploration prototype thermal catalytic oxidizer. The exploration guard-bed prototype included design considerations from recent flight technology demonstrations and changes intended to improve compatibility with enriched oxygen exploration cabin environments as compared to the prior-art of contaminant control system design.

Trace Contaminant Control↗
DOE OSTI2022

Assessment of Core Physics Characteristics of Extended Enrichment and Higher Burnup LWR Fuels using the Polaris/PARCS Two-Step Approach. Vol. I: PWR Fuel

Nuclear fuel with extended enrichment (235U enrichment within 5-8 wt%) is one of the evolutionary changes that have been pursued in recent years by commercial light water reactor operators and fuel vendors to improve the fuel cycle economy and operation performance of a nuclear plant. This work assesses the performance of the Polaris/PARCS two-step approach in core physics modeling of the pressurized water reactor cores with extended enrichment fuel, referred to as “LEU+” in this report. A representative LEU+ core with a 24-month fuel cycle developed by Southern Nuclear Company (SNC) was modeled using this two-step approach. A representative LEU core with an 18-month fuel cycle was also modeled to provide a reference for the LEU+ core. As expected, significantly more burnable poison absorbers were used in the LEU+ core to accomodate its higher fuel enrichment. Nine different fuel assembly types were modeled using Polaris for each core to generate the assembly cross sections, which were then processed by GenPMAX to prepare the cross-section data for PARCS. The average specific powers of each fuel batch in each core were derived from VERA results and higher specific powers in fresh assemblies were found in the LEU core due to its less total uranium loading included in the VERA LEU model, given that the total core power was assumed to be the same for both cores. PARCS models were developed to simulate the steady-state operations of both cores. PARCS results on the LEU+ core were first compared with the VERA results for verification purpose; good agreements were seen in soluble boron and burnup distribution results, indicating that the Polaris/PARCS modeling and simulation were correctly implemented. Core physics parameters calculated by PARCS, at zero power physics tests, beginning of cycle (BOC), and end of cycle conditions (EOC), were compared between the LEU+ core and the LEU core, including soluble boron concentration, burnup distributions, assembly and pin power peaking factors, fuel temperature reactivity coefficients, moderator temperature and density reactivity coefficients, control rod worth, and shut down margin. The main differences in PARCS results between the LEU+ and the LEU cores are summarized below: 1)The critical boron concentrations were found to be much higher in the LEU+ core than in the LEU core (1582 vs. 1335 ppm for peak values). 2)Higher assembly radial power peaking factors (1.4 vs. 1.3 for peak values), 2D pin peaking factors (1.53 vs. 1.42 for peak values), and 3D pin peaking factors (1.89 vs. 1.81 for peak values) were found in the LEU+ core than in the LEU core. 3)Significantly higher reactivity coefficients of moderator temperature (and density) were found in LEU+ than in LEU.4)Significantly lower control rod worth at EOC were found in LEU+ than LEU for all but one control banks.5)Significantly lower shut down margins were found in the LEU+ core than in the LEU core. The Polaris/GenPMAX/PARCS code suite was found to be capable of modeling the LEU+ PWR core for steady-state operations and no unexpected results in core physics parameters were observed, in spite of that a) several bugs in PARCS were identified and workarounds were used; b) several features were found lacking in the current version of PARCS that would be useful for core modeling. A list of requests for bug fixes and feature upgrades for PARCS originated from this work were transmitted to the code developers. The assessments on the performance of the Polaris/PARCS two-step approach in core modeling for boiling water reactor with LEU+ fuel is ongoing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Hydrogen permeability and stability of palladium films in a high pressure reactor

Palladium (Pd) thin films were fabricated by colloidal spray deposition (CSD) on substrates of porous yttrium stabilized zirconium oxide (YSZ). The films were sintered at 1140–1160 °C for 2–3 h in argon and had thickness of 5–11 μm. The hydrogen (H 2 ) permeation flux for the Pd film was measured with simulated feed gases (90% H 2 /He, syn-gas/steam, or syn-gas/steam with H 2 S) flowing on the film side and sweep gas (Ar) flowing on the substrate side. Here, the hydrogen flux with the Pd film was obtained by adjusting the flow rate and pressure of the gas. Hydrogen flux values of 121–173 cm 3 min -1 cm -2 were measured at 388–596 °C (feed: 90% H 2 /He at 200 mL min -1 ; sweep: Ar at 1400 mL min -1 ; and ΔP = ~170 psi), and the permeability was calculated and compared with literature values. Because Pd is known to be sensitive to some gases, the stability of Pd films was evaluated by examining the microstructures of samples after their exposure to gas mixtures containing CO, CO 2 , H 2 O, and H 2 S. From the results of stability tests in H 2 S-containing atmospheres, the Pd/Pd 4 S phase boundary was determined, and this measured boundary was compared to the Pd/Pd 4 S boundary calculated from the thermodynamic data in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Metal-Supported Ceria Electrolyte-based SOFC Stack for Scalable, Low-Cost, High-Efficiency and Robust Stationary Power Systems (Final Report)

This is the end of project report for the DOE Project DE-FE-0027844 “Metal-Supported Ceria Electrolyte-based SOFC Stack for Scalable, Low-Cost, High-Efficiency and Robust Stationary Power Systems”. The objectives of the project were to develop several technologies required for the mass adoption of Solid Oxide Fuel Cell systems for medium to large power generation applications. The key achievements of this project were: 1) Development of fuel cells with complete internal fuel reforming capability. 2) Fuel cell power scale up with production of cells with larger active areas. 3) Assembly of an integrated 5 kW modular stack platform capable of installation into medium to large power systems. 4) Demonstration of a 10 kW Fuel Cell Power System utilizing the integrated 5 kW modular stack platform. 5) Cost modelling to show system cost of $1,500/kW are achievable at production volumes. 6) Development of cathode air poison getters for reduced degradation and extended fuel cell life. 7) Assessment of fuel poison on anode degradation, particularly poisons frequently produced from the process of gasification of coal. The Cummins led Voice of Customer (VOC) work identified several significant markets for natural gas powered fuel cell systems, where the end customer is interested in reducing energy consumption and emissions, or increasing reliability of electrical supply. Data centers and truck Auxiliary Power Units (APU) were highlighted as 2 key future markets for fuel cell systems.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Modeling Molten Salt Reactor Fission Product Removal with SCALE

Liquid-fuel Molten Salt Reactors (MSRs) allow for continuous online fuel treatment and processing using a variety of subsystems. Among these subsystems, the off-gas system (OGS) continuously removes fission products from the primary fuel salt through a helium sparging process. Accurately modeling fission product behavior is paramount for the development of MSRs; while there are a variety of depletion modeling and simulation tools that allow for removal of material from a defined system, most of them work in a semicontinuous, batch-wise manner. The new tools implemented into TRITON, in the SCALE suite for reactor analysis and design, aim to address this issue by implementing truly continuous material feeds and removals. In addition, material accountancy is enhanced in these tools, which enable tracking of removed material in user-specified mixtures. These continuous depletion tools provide a way to model material transport throughout systems more efficiently and accurately. This report validates the new SCALE MSR modeling capabilities using data from the Molten Salt Reactor Experiment (MSRE). After a framework was established for deriving realistic removal rates based on design specifications, these rates were used by TRITON to continuously remove specific elements while performing burnup calculations. Results were compared to those obtained in MSRE, with a focus on the 135 Xe poison fraction. After these capabilities were validated, the learned concepts and best practices were applied to model the Molten Salt Breeder Reactor (MSBR) and the Molten Salt Demonstration Reactor (MSDR) to study the effects of continuous fission product removal in fuel salt reactivity, as well as the lifetime effects.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Reactivity-initiated accidents in two pressurized water reactor high burnup core designs

Here, this paper presents a safety analysis of two proposed core loadings for 24-month Pressurized Water Reactor (PWR) fuel cycles. This analysis focuses on reactivity-initiated accidents (RIAs) and evaluates core safety performance impacts of rod-averaged burnup limits up to 75 GWD/MTU and less than 7 % enriched UO 2 . The capabilities of Polaris, PARCS, and RELAP5-3D are leveraged to evaluate the core neutronic and thermal–hydraulic behavior for normal-operation, uncontrolled control rod withdrawal (CRW) transients, and control rod ejection (CRE) accidents. The two core designs are compared to identify features of realistic high burnup/extended enrichment core design approaches which have significant safety impact, identify experimental data needs for high-fidelity predictive modeling, and provide recommendations for future high burnup core designs. The first core design evaluated in this study was developed by Southern Nuclear Company and used an ZrB 2 Integral Fuel Burnable Absorber (IFBA) and B 4 C Wet-Annular Burnable Absorber (WABA)-based burnable poison strategy. The second core design assessed in this work used a Gd 2 O 3 -doped UO 2 burnable poison, similar to that used in boiling water reactors or French PWRs. Results indicate that fuel thermal limits are maintained for limiting CRW and hot full power (HFP) CRE transients. Cladding failure is predicted for the highest energy deposition rods in each core during limiting hot zero power (HZP) CRE accidents (where maximum radially averaged enthalpy exceeds 120 cal/g), though licensing may be permissible with a limited number of failed rods. While concerns exist regarding high critical boron concentration during steady state for the IFBA core and large plenum pressures for the gadolinia core design, the analysis demonstrates adequate safety performance during limiting RIA accident scenarios for two representative high burnup core designs. Design changes limiting plenum pressures and implementation of accident tolerant fuel (ATF) cladding features which minimize hydriding and susceptibility to pellet-cladding mechanical interaction (PCMI) are recommended for future high burnup fuel concepts. To support the technical basis for burnup limit increases, high-fidelity fuel performance models are needed to address physical effects not considered in this analysis, and high burnup irradiated fuel tests are required to extend applicability of the fuel failure limits and validate existing and future models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2006

Using Quasiparticle Poisoning To Detect Photons

According to a proposal, a phenomenon associated with excitation of quasiparticles in certain superconducting quantum devices would be exploited as a means of detecting photons with exquisite sensitivity. The phenomenon could also be exploited to perform medium-resolution spectroscopy. The proposal was inspired by the observation that Coulomb blockade devices upon which some quantum logic gates are based are extremely sensitive to quasiparticles excited above the superconducting gaps in their leads. The presence of quasiparticles in the leads can be easily detected via the charge states. If quasiparticles could be generated in the leads by absorption of photons, then the devices could be used as very sensitive detectors of electromagnetic radiation over the spectral range from x-rays to submillimeter waves. The devices in question are single-Cooper-pair boxes (SCBs), which are mesoscopic superconducting devices developed for quantum computing. An SCB consists of a small superconducting island connected to a reservoir via a small tunnel junction and connected to a voltage source through a gate capacitor. An SCB is an artificial two-level quantum system, the Hamiltonian of which can be controlled by the gate voltage. One measures the expected value of the charge of the eigenvectors of this quantum system by use of a radio-frequency single-electron transistor. A plot of this expected value of charge as a function of gate voltage resembles a staircase that, in the ideal case, consists of steps of height 2 e (where e is the charge of one electron). Experiments have shown that depending on the parameters of the device, quasiparticles in the form of "broken" Cooper pairs present in the reservoir can tunnel to the island, giving rise to steps of 1 e. This effect is sometimes called "poisoning." Simulations have shown that an extremely small average number of quasiparticles can generate a 1-e periodic signal. In a device according to the proposal, this poisoning would be turned to advantage. Depending on the wavelength, an antenna or other component would be used to couple radiation into the reservoir, wherein the absorption of photons would break Cooper pairs, thereby creating quasiparticles that, in turn, would tunnel to the island, creating a 1-e signal. On the basis of conservative estimates of device parameters derived from experimental data and computational simulations that fit the data, it has been estimated that the noise equivalent power of a device according to the proposal could be as low as 6 10(exp -22) W/Hz(exp 1/2). It has also been estimated that the spectroscopic resolution (photon energy divided by increment of photon energy) of such a device in visible light would exceed 100.

Echternach, Pierre↗
NASA NTRS1995

Simutaneous adsorption of CO2 and H2O under Mars-like conditions and application to the evolution of the Martian climate

The Martian regolith is the most substantial volatile reservoir on the planet; estimates of its adsorbed inventory have been based on simple measurements of the adsorption of either water or CO2 in isolation. Under some conditions, H2O can poison adsorbate surfaces, such that CO2 uptake is greatly reduced. We have made the first measurements of the simultaneous adsorption of CO2 and H2O under conditions appropriate to the Martian regolith and have found that at H2O monolayer coverage above about 0.5, CO2 begins to be displaced into the gas phase. We have developed an empirical expression that describes our co-adsorption data and have applied it to standard models of the Martian regolith. We find that currently, H2O does not substantially displace CO2, implying that the adsorbate inventories previously derived may be accurate, not more than 3-4 kPa (30-40 mbar). No substantial increase in atmospheric pressure is predicted at higher obliquities because high-latitude ground ice buffers the partial pressure of H2O in the pores, preventing high monolayer coverages of H2O from displacing CO2. The peak atmospheric pressure at high obliquity does increase as the total inventory of exchangeable CO2 increases.

Zent, Aaron P.↗
NASA NTRS1995

Simultaneous adsorption of CO2 and H2O under Mars-like conditions and application to the evolution of the Martian climate

The Martian regolith is the most substantial volatile reservoir on the planet; estimates of its adsorbed inventory have been based on simple measurements of the adsorption of either water or CO2 in isolation. Under some conditions, H2O can poison adsorbate surfaces, such that CO2 uptake is greatly reduced. We have made the first measurements of the simultaneous adsorption of CO2 and H2O under conditions appropriate to the Martian regolith and have found that at H2O monolayer coverage above about 0.5, CO2 begins to be displaced into the gas phase. We have developed an empirical expression that describes our co-adsorption data and have applied it to standard models of the Martian regolith. We find that currently, H2O does not substantially displace CO, implying that the adsorbate inventories previously derived may be accurate, not more than 3-4 kPa (30-40 mbar). No substantial increase in atmospheric pressure is predicted at higher obliquities because high-latitude ground ice buffers the partial pressure of H2O in the pores, preventing high monolayer coverages of H2O from displacing CO2. The peak atmospheric pressure at high obliquity does increase as the total inventory of exchangeable CO2 increases.

Zent, Aaron, P.↗
DOE OSTI2021

Thermophysical Properties of Mixtures of Thorium and Uranium Nitride

Abstract The miscibility, lattice parameter, and thermophysical properties of (Th 0.2 U 0.8 )N and (Th 0.5 U 0.5 )N have been investigated. It is shown that additions of thorium nitride (ThN) to uranium nitride (UN) increases the thermophysical performance of the mixed nitride fuel form in comparison to reference UN. In the more dilute limit, additions of ThN serve as a burnable neutronic poison and reduces the change in k eff over the lifecycle of the fuel. At higher concentrations, additions of ThN serve as a significant fertile source of 233 U. Where appropriate, comparisons to previous work on UN + PuN mixtures are made, as this is a comparable fuel form for potential fast reactor concepts, and a suitable point of contrast in the possible design space afforded by mixed (Th x U 1 − x )N fuel forms. The data from this work are the input parameters for finite element modeling of the temperature distribution in a compact reactor. The results of modeling and simulation of this core design are shown for the case of steady-state operation and during double, adjacent heat pipe failure.

Parker, S. S. (ORCID:000000018597440X)↗
DOE OSTI2021

The use and abuse of cinnabar in Late Neolithic and Copper Age Iberia

Abstract In this study, total mercury (THg) was analyzed in archaeological human bone from 23 sites dating to between the Middle Neolithic and the Antiquity. A total of 370 individuals from individual or collective burials was sampled, mostly using cortical bone from the humerus. These individuals were recovered from over 50 different funerary structures ranging from tholoi, pits, caves, and hypogea. Although cinnabar (HgS) is a likely cause of mercury poisoning and toxicity for people exposed to this mineral from mining or use as a paint or pigment, not all sites investigated here had cinnabar associated with the burials or other excavated areas. We found unusual levels of THg in many of the sampled individuals that we assume were caused by exposure to cinnabar in life, and not by diagenetic processes or other exposures to mercury such as through diet, which would only cause negligible accumulation of THg in bone. Our data, based on the largest sampling ever undertaken on contamination of human bone through archaeological evidence, provide a baseline for additional research on cinnabar and its use in Prehistory. Moderate to high levels of THg in human bone are mainly associated with societies dating from the second half of the 4th to late 3rd millennia B.C. (Late Neolithic to Middle Chalcolithic) in southern Iberia. By the Late Chalcolithic and Early Bronze Age, the use of cinnabar decreased significantly and became minimal or absent. The use and abuse of cinnabar appears to have been pervasive throughout the above‐mentioned period and particularly between c. 2900–2300 B.C. This occurred in connection with the high symbolic and probably sacred value of the substance, which was sought after, traded, and extensively used in a variety of rituals and social practices.

Emslie, Steven D.↗
DOE OSTI2021

Enabling Load Following Capability in the Transatomic Power MSR

This project is dedicated towards designing a fuel processing system that enables liquid-fueled molten salt reactors (MSR) to load follow by removing the dissolved xenon in the fuel salt. As one of the Gen-IV nuclear reactor concepts, the molten salt reactor receives increasing development interests in the recent years. One distinguishing feature of the liquid-fueled molten salt reactor is its improved ability to operate in a load-following mode by including the unique online fission product removal system. Load-following means that the reactor changes its power output based on the demand on the grid. Most of the current operating nuclear reactors have limited load-following ability and operate as the base load on the grid. Due to the rapid increase of solar energy, the requirement on load-following capacity is significantly increased because of the varying power output of the solar panels, yet the traditional load-following capacity is expected to decrease as the decarbonization of the grid continues. Therefore, the ability to perform load-following operation for the nuclear reactors will greatly enhance the resilience of the grid and make nuclear energy more economically competitive. This load-following feature is included in many commercial molten salt reactor designs, such as the designs by Transatomic Power, Terrestrial Energy, and Flibe Energy. Unfortunately, detailed analysis of the fuel processing system for commercial scale MSRs is still lacking, as well as how the fuel processing quantitively impacts the load-following operation. Moreover, experimental data for many of the underlying physics of fuel processing is limited. This project aims to pave the way for the fuel processing technology to advance to the commercial stage by performing combined experimental and simulation research. During the project period, four interconnected aspects of the development of the fuel processing system in liquid-fueled molten salt reactors are investigated. These aspects are the simulation and analysis of the fission product removal system, the fuel cycle simulation, the coupled reactor neutronics and thermal hydraulics transient simulation, and the gaseous fission product removal experiment. Multiphase CFD simulations are performed for components of the processing systems, and simplified air-water experiments are carried out to provide validation data. It is concluded that the CFD simulation can satisfactorily predict the system level performance of the components, and engineering models are constructed based on this success. Fuel cycle analysis is performed for two representative MSR design, the MSBR and the Transatomic Power MSR. Open-source code SaltProc is developed to incorporate the unique fuel processing system of the MSRs. It is concluded that the removal of xenon is essential for load-following operation in thermal spectrum MSR and Molten Salt Breeder Reactor. For the Transatomic Power MSR, the xenon poisoning effect is negligible due to its relatively fast neutron spectrum, though the overall fuel cycle economics still benefits from the removal of xenon. Coupled reactor neutronics and thermal hydraulics transient simulation is performed specifically for the Transatomic Power MSR. It is concluded that the reactor core design could perform power ramping fast enough to satisfy load-following operation. Combining the findings from each aspect, it is concluded that the load-following operation of a thermal neutron MSR is dependent upon the removal of xenon, which could be achieved for a commercial sized reactor using continuous inert gas sparging in a separate system with reasonable dimensions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1993

Rover/NERVA-derived near-term nuclear propulsion

FY-92 accomplishments centered on conceptual design and analyses for 25, 50, and 75 K engines with emphasis on the 50 K engine. During the first period of performance, flow and energy balances were prepared for each of these configurations and thrust-to-weight values were estimated. A review of fuel technology and key data from the Rover/NERVA program established a baseline for proven reactor performance and areas of enhancement to meet near-term goals. Studies were performed of the criticality and temperature profiles for probable fuel and moderator loadings for the three engine sizes, with a more detailed analysis of the 50 K size. During the second period of performance, analyses of the 50 K engine continued. A chamber/nozzle contour was selected and heat transfer and fatigue analyses were performed for likely construction materials. Reactor analyses were performed to determine component radiation heating rates, reactor radiation fields, water immersion poisoning requirements, temperature limits for restartability, and a tie-tube thermal analysis. Finally, a brief assessment of key enabling technologies was made, with a view toward identifying development issues and identification of the critical path toward achieving engine qualification within 10 years.

Source record↗
NASA NTRS2005

Miniature Focusing Time-of-Flight Mass Spectrometer

An improved miniature time-of-flight mass spectrometer has been developed in a continuing effort to minimize the sizes, weights, power demands, and costs of mass spectrometers for such diverse applications as measurement of concentrations of pollutants in the atmosphere, detecting poisonous gases in mines, and analyzing exhaust gases of automobiles. Advantageous characteristics of this mass spectrometer include the following: It is simple and rugged. Relative to prior mass spectrometers, it is inexpensive to build. There is no need for precise alignment of its components. Its mass range is practically unlimited Relative to prior mass spectrometers, it offers high sensitivity (ability to measure relative concentrations as small as parts per billion). Its resolution is one dalton (one atomic mass unit). An entire mass spectrum is recorded in a single pulse. (In a conventional mass spectrometer, a spectrum is recorded mass by mass.) The data-acquisition process takes only seconds. It is a lightweight, low-power, portable instrument. Although time-of-flight mass spectrometers (TOF-MSs) have been miniaturized previously, their performances have not been completely satisfactory. An inherent adverse effect of miniaturization of a TOF-MS is a loss of resolution caused by reduction of the length of its flight tube. In the present improved TOF-MS, the adverse effect of shortening the flight tube is counteracted by (1) using charged-particle optics to constrain ion trajectories to the flight-tube axis while (2) reducing ion velocities to increase ion flight times. In the present improved TOF-MS, a stream of gas is generated by use of a hypodermic needle. The stream of gas is crossed by an energy-selected, pulsed beam of electrons (see Figure 1). The ions generated by impingement of the electrons on the gas atoms are then focused by three cylindrical electrostatic lenses, which constitute a segmented flight tube. After traveling along the flight tube, the ions enter a charged-particle detector. The output of the detector is fed to a counting circuit to obtain data on the counting rate as a function of time. Inasmuch as time of flight is directly proportional to the ion mass, a plot of the counting rate versus time of flight is equivalent to a mass spectrum (see Figure 2).

Kanik, Isik↗
NASA NTRS1980

Preparation and evaluation of advanced electrocatalysts for phosphoric acid fuel cells

Results are presented for hydrogen oxidation and hydrogen oxidation poisoned by carbon monoxide at levels between 0 and 30%. Due to the high activities that are now being observed for our platinum based electrocatalysts, the hydrogen concentrations were reduced to 10% levels in the gas supplies. Perturbation techniques were used to determine that a mechanism for the efficient operation of our porous gas diffusion electrodes is diffusion of the carbon monoxide out of the electrode structure through the electrolyte film on the electro-catalyst. A survey of the literature on platinum group materials (PGM) was carried out so that an identification of successful electrocatalysts could be made. Two PGM electrocatalysts were prepared and performance data for hydrogen oxidation in hot phosphoric acid in the presence of high carbon monoxide concentrations showed that they matched the best platinum on carbon electrocatalysts but with an electrocatalyst cost that was half of the platinum catalyst cost.

Stonehart, P.↗
DOE OSTI2021

Synthesis and Structure–Activity Characterization of a Single-Site MoO 2 Catalytic Center Anchored on Reduced Graphene Oxide

Molecularly derived single-site heterogeneous catalysts can bridge the understanding and performance gaps between conventional homogeneous and heterogeneous catalysis, guiding the rational design of next-generation catalysts. While impressive advances have been made with well-defined oxide supports, the structural complexity of other supports and the nature of the grafted surface species present an intriguing challenge. In this study, single-site Mo(=O) 2 species grafted onto reduced graphene oxide (rGO/MoO 2 ) are characterized by XPS, DRIFTS, powder XRD, N 2 physisorption, NH 3 -TPD, aqueous contact angle, active site poisoning assay, Mo EXAFS, model compound single-crystal XRD, DFT, and catalytic performance. NH 3 -TPD reveals that the anchored MoO 2 moiety is not strongly acidic, while Mo 3d 5/2 XPS assigns the oxidation state as Mo(VI), and XRD shows little rGO periodicity change on MoO 2 grafting. Contact angle analysis shows that MoO 2 grafting consumes rGO surface polar groups, yielding a more hydrophobic surface. The rGO/MoO 2 DRIFTS assigns features at 959 and 927 cm –1 to the symmetric and antisymmetric Mo=O stretching modes, respectively, of an isolated cis-(O=Mo=O) moiety, in agreement with DFT computation. Moreover, the Mo EXAFS rGO/MoO 2 structural data are consistent with isolated (C–O) 2– Mo(=O) 2 species having two Mo=O bonds and two Mo–O bonds at distances of 1.69(3) and 1.90(3) Å, respectively. rGO/MoO 2 is also more active than the previously reported AC/MoO 2 catalyst, with reductive carbonyl coupling TOFs approaching 1.81 × 10 3 h –1 . rGO/MoO 2 is environmentally robust and multiply recyclable with 69 ± 2% of the Mo sites catalytically significant. Altogether, rGO/MoO 2 is a structurally well-defined and versatile single-site Mo(VI) dioxo heterogeneous catalytic system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Radiation exposure induces cross-species temporal metabolic changes that are mitigated in mice by amifostine

Exposure to acute, damaging radiation may occur through a variety of events from cancer therapy and industrial accidents to terrorist attacks and military actions. Our understanding of how to protect individuals and mitigate the effects of radiation injury or Acute Radiation Syndrome (ARS) is still limited. There are only a few Food and Drug Administration-approved therapies for ARS; whereas, amifostine is limited to treating low dose (0.7–6 Gy) radiation poisoning arising from cancer radiotherapy. An early intervention is critical to treat ARS, which necessitates identifying diagnostic biomarkers to quickly characterize radiation exposure. Towards this end, a multiplatform metabolomics study was performed to comprehensively characterize the temporal changes in metabolite levels from mice and non-human primate serum samples following γ-irradiation. The metabolomic signature of amifostine was also evaluated in mice as a model for radioprotection. The NMR and mass spectrometry metabolomics analysis identified 23 dysregulated pathways resulting from the radiation exposure. These metabolomic alterations exhibited distinct trajectories within glucose metabolism, phospholipid biosynthesis, and nucleotide metabolism. A return to baseline levels with amifostine treatment occurred for these pathways within a week of radiation exposure. Together, our data suggests a unique physiological change that is independent of radiation dose or species. Furthermore, a metabolic signature of radioprotection was observed through the use of amifostine prophylaxis of ARS.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

Experimental data from an oxygen plant for Mars

Experimental data are presented on various aspects of the plant operation intended to produce oxygen from the atmospheric carbon dioxide at any Martian site. A solid electrolytic cell is used in the tubular geometry. Anaerobic carbon dioxide is procured from a gas vendor and is used at a pressure of 1 bar (entrance to the plant). The variables include the voltage applied to the cell, the temperature of the cell, the current density, the flow rate and the duty-cycle. The oxygen production rates have been consistent with the specifications of the cell manufacturer. It is projected that a plant weighing between 145 and 197 kg can be built to produce 10 kg of oxygen per day. Various operational characteristics such as cell poisoning, carbon formation, nitrogen embrittlement, local current densities exceeding the breakdown potential for the cell material, reliability, risk, are all being quantitatively assessed.

Schallhorn, P. A.↗