SEARCH · Engineering Papers

Results for “reprocessed data”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Curium(iii) radiation-induced reaction kinetics in aqueous media

Insight into the effects of radiolytic processes on the actinides is critical for advancing our understanding of their solution chemistry because the behaviour of these elements cannot be easily separated from the influence of their inherent radiation field. However, minimal information exists on the radiation-induced redox behaviour of curium (Cm), a key trivalent transuranic element present in used nuclear fuel and frequently used as an alpha radiation source. Here we present a kinetic study on the aqueous redox reactions of Cm(III) with radicals generated through the radiolysis of aqueous media. In particular, we probe reaction kinetics in nitric acid solutions that are used as the aqueous phase component of used nuclear fuel reprocessing solvent systems. Second-order rate coefficients (k) were measured for the reaction of Cm(III) with the hydrated electron (e aq - , k = (1.25 ± 0.03) × 10 10 M -1 s -1 ), hydrogen atom (H˙, k = (5.16 ± 0.37) × 10 8 M -1 s -1 ), hydroxyl radical (˙OH, k = (1.69 ± 0.24) × 10 9 M -1 s -1 ), and nitrate radical (NO 3 ˙, k = (4.83 ± 0.09) × 10 7 M -1 s -1 ). Furthermore, the first-ever Cm(II) absorption spectrum (300–700 nm) is also reported. These kinetic data dispel the status quo notion of Cm(III) possessing little to no redox chemistry in aqueous solution, and suggest that the resulting Cm(II) and Cm(IV) transients could exist in irradiated aqueous solutions and be available to undergo subsequent redox chemistry with other solutes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2017

Investigation of molybdate melts as an alternative method of reprocessing used nuclear fuel

Here, an investigation of molybdate melts containing sodium molybdate (Na 2 MoO 4 ) and molybdenum trioxide (MoO 3 ) to achieve the separation of uranium from fission products by crystallization has been performed. The separation is based on the difference in solubility of the fission product metal oxides compared to the uranium oxide or molybdate in the molybdate melt. The molybdate melt dissolves uranium dioxide at high temperatures, and upon cooling, uranium precipitates as uranium dioxide or molybdate, whereas the fission product metals remain soluble in the melt. Small-scale experiments using gram quantities of uranium dioxide have been performed to investigate the feasibility of UO 2 purification from the fission products. The composition of the uranium precipitate as well as data for partitioning of several fission product surrogates between the uranium precipitate and molybdate melt for various melt compositions are presented and discussed. The fission products Cs, Sr, Ru and Rh all displayed very large distribution ratios. The fission products Zr, Pd, and the lanthanides also displayed good distribution ratios (D > 10). A melt consisting of 20 wt% MoO 3 -50 wt% Na 2 MoO 4 -30 wt% UO 2 heated to 1313 K and cooled to 1123 K for the physical separation of the UO 2 product from the melt, and washed once with Na 2 MoO 4 displays optimum conditions for separation of the UO 2 from the fission products.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Chemical Thermodynamic Modeling of Molten Salts to Support Off-Gas Abatement Systems

The reprocessing of used nuclear fuel by any means will liberate gaseous fission products, such as hydrogen ( 3 H), carbon ( 14 C), noble gases ( 85 Kr), and halogens ( 129 I), from the irradiated fuel. These elements will distribute through chemical processing operations and partition into process off-gas streams, and the specific volatile release fractions will be dictated by the chemical and physical properties of the system. A recent assessment found that there were significant knowledge gaps regarding the release quantities of volatile radionuclides from individual unit operations. These knowledge gaps limited the ability to determine what dedicated off-gas treatment technologies could be required for electrochemical-based reprocessing facilities. Unfortunately, experimental efforts to quantify release fractions are limited by the challenges associated with performing experiments using irradiated fuel. This report documents preliminary thermodynamic predictions of iodine and tritium release from chloride-based molten salts as part of an effort to better direct resources toward those experiments (both simulant and irradiated) that will be of the greatest impact. It was predicted that less than 0.5% of tritium was expected to be released and that nearly all of that amount would be released as H 2 . Thermochemical data for hydrogen (H 2 ) are of high fidelity, and no additional validation is recommended. Less than 0.05% of iodine was predicted to be released, with the primary volatile species being Cs 2 I 2 . Unlike the tritium predictions, the data underpinning the iodine release predictions are of low quality. It is recommended that a limited experimental program be dedicated to expanding the current physical property and thermodynamic property data for iodine in electrochemical processing and molten salt conditions, including vapor pressure measurements for the dimerized species predicted to comprise the majority of iodine release. Validating and improving the thermodynamic properties used in predictive modeling can reduce the need for expensive testing with irradiated fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Adsorbents and adsorption models for capture of Kr and Xe gas mixtures in fixed-bed columns

Off-gases produced during the reprocessing of used nuclear fuel (UNF) include 129-I 2 , 3-HHO, 14-CO 2 , 85-Kr, and 135-Xe, which are volatilized out into the off-gas. In order to meet regulatory requirements for reprocessing plant emissions, these gases must be captured and removed from the o?-gas stream prior to o?-gas emission. Of particular interest are the noble gases, Kr and Xe, which can be fairly difficult to remove from the off-gas due to their low chemical reactivity. Thus, this work is focused on utilizing engineered adsorbents, AgZ-PAN and HZ-PAN, to capture Kr and Xe from a mixed-gas stream at relatively low temperatures (191–295 K) and various flow rates (50–2000 mL/min). Isothermal data for Kr and Xe on each adsorbent are analyzed to produce the Langmuir parameters needed to model the mixture adsorption capacities at relevant temperatures using the Extended Langmuir model. Those parameters are then incorporated into a fixed-bed adsorption model developed in this work using the Mulitphysics Object-Oriented Simulation Environment (MOOSE). That model is used to simulate breakthrough times for Kr and Xe in packed columns of AgZ-PAN and HZ-PAN, ranging in length from 6 to 20 in., at relevant temperatures and flow rates. Breakthrough times varied from nearly instantaneous for Kr in AgZ-PAN to 30 h for Xe in HZ-PAN. After the developed model was validated by comparisons with experimental break-through data, the model framework was used to simulate the performance of multiple fixed-bed columns connected in series.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

Bulk Handling Facility Modeling and Simulation for Safeguards Analysis

The Separation and Safeguards Performance Model (SSPM) uses MATLAB/Simulink to provide a tool for safeguards analysis of bulk handling nuclear processing facilities. Models of aqueous and electrochemical reprocessing, enrichment, fuel fabrication, and molten salt reactor facilities have been developed to date. These models are used for designing the overall safeguards system, examining new safeguards approaches, virtually testing new measurement instrumentation, and analyzing diversion scenarios. The key metrics generated by the models include overall measurement uncertainty and detection probability for various material diversion or facility misuse scenarios. Safeguards modeling allows for rapid and cost-effective analysis for Safeguards by Design. The models are currently being used to explore alternative safeguards approaches, including more reliance on process monitoring data to reduce the need for destructive analysis that adds considerable burden to international safeguards. Machine learning techniques are being applied, but these techniques need large amounts of data for training and testing the algorithms. The SSPM can provide that training data. This paper will describe the SSPM and its use for applying both traditional nuclear material accountancy and newer machine learning options.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2021

Uranyl oxalate species in high ionic strength environments: stability constants for aqueous and solid uranyl oxalate complexes

Uranyl ion, UO 2 2+ , and its aqueous complexes with organic and inorganic ligands can be the dominant species for uranium transport on the Earth surface or in a nuclear waste disposal system if an oxidizing condition is present. As an important biodegradation product, oxalate, C 2 O 4 2– , is ubiquitous in natural environments and is known for its ability to complex with the uranyl ion. Oxalate can also form solid phases with uranyl ion in certain environments thus limiting uranium migration. Therefore, the determination of stability constants for aqueous and solid uranyl oxalate complexes is important not only to the understanding of uranium mobility in natural environments, but also to the performance assessment of nuclear waste disposal. In this work, we developed a thermodynamic model for the UO 2 2+ –Na + –H + –Cl – –ClO 4 – –C 2 O 4 2– –NO 3 – –H 2 O system to ionic strength up to ~11 mol•kg –1 . We constrained the stability constants for UO 2 C 2 O 4 (aq) and UO 2 (C 2 O 4 ) 2 2– at infinite dilution based on our evaluation of the literature data over a wide range of ionic strengths up to ~11 mol•kg –1 . We also obtained the solubility constants at infinite dilution for solid uranyl oxalates, UO 2 C 2 O 4 •3H 2 O, based on the solubility data over a wide range of ionic strengths. The developed model will enable for the accurate stability assessment of oxalate complexes affecting uranium mobility under a wide range of conditions including those in deep geological repositories.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Strategies and performance of the CMS silicon tracker alignment during LHC Run 2

The strategies for and the performance of the CMS silicon tracking system alignment during the 2015-2018 data-taking period of the LHC are described. The alignment procedures during and after data taking are explained. Alignment scenarios are also derived for use in the simulation of the detector response. Systematic effects, related to intrinsic symmetries of the alignment task or to external constraints, are discussed and illustrated for different scenarios.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Quantifying the impact of climate change on erosion - 20397

The New York State Energy Research and Development Authority (NYSERDA) is the owner of the Western New York Nuclear Service Center (WNYNSC), a 1,351-ha (3,338-ac) site located approximately 48 km (30 mi) south of Buffalo, New York. In 1962, Nuclear Fuel Services, Inc. (NFS) entered into Agreements with the Atomic Energy Commission and New York State to construct the first commercial reprocessing plant of nuclear fuel in the United States. NFS, a private company, built and operated the spent fuel reprocessing plant and waste disposal facilities, processing 640 Mg (metric tons, or 705 short tons) of spent nuclear fuel from 1966 to 1972 under an Atomic Energy Commission license. Nuclear fuel reprocessing operations ended in 1972 and never reopened, leaving behind radioactive and chemical wastes. Erosion can play an important role in the fate and transport of waste at sites where disposal of long-lived waste is anticipated. The statistical characterization of key processes related to erosion is essential to the understanding of site stability through time. One of the key processes governing erosion is extreme precipitation and it is critical that trends in the distribution of extreme precipitation events through time be represented. The evidence of climate change is increasingly well documented and projected impacts on extreme precipitation events should be incorporated in performance assessment studies when relevant. Not evaluating future climate states in a performance assessment is contradictory to good modeling practice. Specifically, excluding climate change limits development of modeling information that could aid in effective decision making. The current climate literature provides both observational evidence and climate model projections of climate trends and/or climate change in the late 20. and early 21. centuries for North America and the northeast United States. In this work, this information was used to assess the impacts of potential changes in climate on erosion processes. The goal was to understand how projections of future climate relate to the performance of the WNYNSC through time. In the first stage of this work multi-temporal historical aerial images were analyzed in conjunction with orthophotography and Lidar data to develop probability distributions for variables representing important erosion processes. The information from these analyses was then used in conjunction with simulated data from the West Valley Erosion Working Group (EWG). Analysis of EWG simulations provides estimates for the change in erosion rates through time that is driven by changes in climate. The time-varying rates of erosion change were applied to the historical aerial imagery data in order to inform time-varying rates of erosion that are driven by changes in climate. Ultimately, this process resulted in the identification of locations for features like gully heads using both the Lidar dataset and projection of the estimated location from the historical aerial photo under consideration back to the Lidar dataset. The distance between the estimate of the location from the historical image and that of the Lidar dataset was the estimated distance the feature has moved. This distance was then divided by the number of years between the Lidar dataset and the year of the historical aerial image of interest to get a rate of movement through time. This was done for several dozen points on each historical aerial image. The analyses from the EWG were used to characterize the relative impact of climate change on the erosion rates. This relative impact was quantified by comparing the LEM based estimates of erosion that were derived using historical climate data with LEM based estimates of erosion that were derived using projections of future climate. The relative increase in the erosion rates was then applied to the historical estimates of erosion derived from the analysis of the historical aerial imagery. This approach was used since the LEM-based estimated of the historical erosion rates from the past century have a bias towards underestimating erosion. This underestimation is hypothesized to be a consequence of an inability of the LEMs to account for the impacts of land-use change (i.e. deforestation) which had been shown to significantly increase erosion in similar Northern hardwood forest ecosystems. In summary, gully head retreat rate and gully widening rate were characterized using statistical probability distributions from the historical aerial image analysis. Simulated data from the EWG was used to estimate the climatically-driven changes in erosion rates through time. The changes through time from the EWG were applied to the gully head retreat rate and gully widening rate characterized using the historical aerial image analysis. This information can be used to inform PPA models to project future risks from a given site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1998

Recovery of 29 Second Oscillations in Hubble Space Telescope Eclipse Observations of the Cataclysmic Variable UX Ursae Majoris

Low-amplitude (approximately 0.5%) 29 s oscillations have been detected in Hubble Space Telescope Faint Object Spectrograph eclipse observations of the nova-like cataclysmic variable UX UMa. These are the same dwarf nova-type oscillations that were originally discovered in this system in 1972. The 29 s oscillations are seen in one pair of eclipse sequences obtained with the FOS/PRISM in 1994 November but not in a similar pair obtained with the FOS/GI60L grating in August of the same year. The oscillations in the PRISM data are sinusoidal to within the small observational errors and undergo an approximately - 360' phase shift during eclipses (i.e., one cycle is lost). The amplitudes are highest at pre-eclipse orbital phases and exhibit a rather gradual eclipse whose shape is roughly similar to, although perhaps slightly narrower than, LTX UMa's overall light curve in the PRISM bandpass (2000-8000 A). Spectra of the oscillations have been constructed from pre-, mid, and post-eclipse data segments of the November observations. The spectra obtained from the out-of-eclipse segments are extremely blue, and only lower limits can be placed on the temperature of the source that dominates the modulated flux at these orbital phases. Lower limits derived from blackbody (stellar atmosphere) model fits to these data are >or equal to 95,000 K (> or equal to 85,000 K); the corresponding upper limits on the projected area of this source are all less than 2% of the white dwarf (WD) surface area. By contrast, oscillation spectra derived from mid- eclipse data segments are much redder. Fits to these spectra yield temperature estimates in the range 20,000 K approximately greater T and T approximately less than 30,000 K for both blackbody and stellar atmosphere models and corresponding projected areas of a few percent of the WD surface area. These estimates are subject to revision if the modulated emission is optically thin. We suggest that the ultimate source of the oscillations is a hot, compact region near disk center, but that a significant fraction of the observed, modulated flux is due to reprocessing of the light emitted by this source in the accretion disk atmosphere. The compact source is occulted at orbital phases near mid-eclipse, leaving only part of the more extended reprocessing region(s) to produce the weak oscillations that persist even at conjunction. The highly sinusoidal oscillation pulse shape does not permit the identification of the compact comonent in this model with emission produced by a rotating disturbance in the inner disk or in a classical, equatorial boundary layer. Instead, this component could arise in a bright spot on the surface of the WD, possibly associated with a magnetic pole. However, a standard intermediate polar model can also be ruled out since UX UMa's oscillation period has been seen to change on timescales much shorter than the minimum timescale required to spin up the WD by accretion torques. A model invoking magnetically controlled accretion onto differentially rotating WD surface layers may be viable, but needs more theoretical work.

Knigge, Christian↗

NASA NTRS2011

Adjustments to the MODIS Terra Radiometric Calibration and Polarization Sensitivity in the 2010 Reprocessing

The Moderate-Resolution Imaging Spectroradiometer (MODIS) on NASA s Earth Observing System (EOS) satellite Terra provides global coverage of top-of-atmosphere (TOA) radiances that have been successfully used for terrestrial and atmospheric research. The MODIS Terra ocean color products, however, have been compromised by an inadequate radiometric calibration at the short wavelengths. The Ocean Biology Processing Group (OBPG) at NASA has derived radiometric corrections using ocean color products from the SeaWiFS sensor as truth fields. In the R2010.0 reprocessing, these corrections have been applied to the whole mission life span of 10 years. This paper presents the corrections to the radiometric gains and to the instrument polarization sensitivity, demonstrates the improvement to the Terra ocean color products, and discusses issues that need further investigation. Although the global averages of MODIS Terra ocean color products are now in excellent agreement with those of SeaWiFS and MODIS Aqua, and image quality has been significantly improved, the large corrections applied to the radiometric calibration and polarization sensitivity require additional caution when using the data.

Meister, Gerhard↗

DOE OSTI2015

Viscosity Meaurement Technique for Metal Fuels

Metallic fuels have exceptional transient behavior, excellent thermal conductivity, and a more straightforward reprocessing path, which does not separate out pure plutonium from the process stream. Fabrication of fuel containing minor actinides and rare earth (RE) elements for irradiation tests, for instance, U-20Pu-3Am-2Np-1.0RE-15Zr samples at the Idaho National Laboratory, is generally done by melt casting in an inert atmosphere. For the design of a casting system and further scale up development, computational modeling of the casting process is needed to provide information on melt flow and solidification for process optimization. Therefore, there is a need for melt viscosity data, the most important melt property that controls the melt flow. The goal of the project was to develop a measurement technique that uses fully sealed melt sample with no Americium vapor loss to determine the viscosity of metallic melts and at temperatures relevant to the casting process. The specific objectives of the project were to: develop mathematical models to establish the principle of the measurement method, design and build a viscosity measurement prototype system based on the established principle, and calibrate the system and quantify the uncertainty range. The result of the project indicates that the oscillation cup technique is applicable for melt viscosity measurement. Detailed mathematical models of innovative sample ampoule designs were developed to not only determine melt viscosity, but also melt density under certain designs. Measurement uncertainties were analyzed and quantified. The result of this project can be used as the initial step toward the eventual goal of establishing a viscosity measurement system for radioactive melts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2015

A study on the criticality safety for the direct disposal of used nuclear fuel in Japan: Application of burnup credit to the criticality safety evaluation for the disposal canister - 14049

Japan has recently started the technical development of the direct disposal of used nuclear fuel (UNF) to prepare various disposal options. Unlike the disposal of radioactive waste from UNF reprocessing, criticality safety is important here because of the presence of a certain amount of fissile nuclides in UNF. This paper provides an outline of the research to be addressed in this field and the relevant studies in Japan. It especially includes the first result of a criticality safety evaluation of a disposal canister model adopting burnup credit. In this evaluation, it was assumed that a steel disposal canister loaded with fuel assemblies was surrounded by a clay buffer material, and the fuel assemblies and the disposal canister were intact. Conditions representative of discharged pressurized-water reactor (PWR) fuel were applied in this study - initial U-235 enrichment of 4.5 wt% and burnup of 45 GWd/t. The isotopic composition of the burnt fuel was evaluated using SWAT3.1 code. In the depletion calculation, conservative parameters were applied within the typical PWR operation range. The effective neutron multiplication factor (k{sub eff}) was then calculated using a continuous-energy Monte Carlo code MVP-2.0, adopting the JENDL-4.0 nuclear data library. Uncertainty in k{sub eff} due to depletion calculation errors was evaluated using the correction factors of isotopic composition, which were obtained via multiple comparisons between the calculated and measured isotopic concentrations of irradiated fuels. In addition, the effects of axial burnup profile and horizontal burnup gradient on k{sub eff} were evaluated using the open burnup distribution database. The k{sub eff} including the uncertainties and conservatism was found to be below 0.95 for both actinide-only and actinide and fission product considerations when the fuel assemblies and the disposal canister were assumed to be intact. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2011

Tropospheric Correction for InSAR Using Interpolated ECMWF Data and GPS Zenith Total Delay

To mitigate atmospheric errors caused by the troposphere, which is a limiting error source for spaceborne interferometric synthetic aperture radar (InSAR) imaging, a tropospheric correction method has been developed using data from the European Centre for Medium- Range Weather Forecasts (ECMWF) and the Global Positioning System (GPS). The ECMWF data was interpolated using a Stretched Boundary Layer Model (SBLM), and ground-based GPS estimates of the tropospheric delay from the Southern California Integrated GPS Network were interpolated using modified Gaussian and inverse distance weighted interpolations. The resulting Zenith Total Delay (ZTD) correction maps have been evaluated, both separately and using a combination of the two data sets, for three short-interval InSAR pairs from Envisat during 2006 on an area stretching from northeast from the Los Angeles basin towards Death Valley. Results show that the root mean square (rms) in the InSAR images was greatly reduced, meaning a significant reduction in the atmospheric noise of up to 32 percent. However, for some of the images, the rms increased and large errors remained after applying the tropospheric correction. The residuals showed a constant gradient over the area, suggesting that a remaining orbit error from Envisat was present. The orbit reprocessing in ROI_pac and the plane fitting both require that the only remaining error in the InSAR image be the orbit error. If this is not fulfilled, the correction can be made anyway, but it will be done using all remaining errors assuming them to be orbit errors. By correcting for tropospheric noise, the biggest error source is removed, and the orbit error becomes apparent and can be corrected for

Webb, Frank H.↗

NASA NTRS1990

The optical light curve of the low-mass X-ray binary GX 9 + 9

The detection of a small modulation in the light curve of the GX 9 + 9 optical counterpart at the same period as determined from the X-ray data is reported. The optical variability is roughly sinusoidal in shape with a period of 4.198 + or - 0.0094 hours and an average peak-to-peak amplitude in the B of 0.19 mag with comparable amplitudes in the V and R bandpasses, and has superposed flickering with a typical amplitude of six percent. The mass of the companion star is deduced to be 0.4 solar mass, which corresponds to an early M-type star. The bulk of the optical light arises in the accretion disk, while the variability arises from orbital modulation of the light reprocessed off the companion star and a bright spot. It is suggested that the X-ray modulation might be due to the asymmetries of X-rays reflected off the bright spot.

Schaefer, Bradley E.↗

DOE OSTI2022

Gamma Radiation-Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling

Acetohydroxamic acid (AHA) has been proposed for inclusion in advanced, single-cycle, used nuclear fuel reprocessing solvent systems for the reduction and complexation of plutonium and neptunium ions. For this application, a detailed description of the degradation of AHA in dilute aqueous nitric acid is required. To this end, we present a comprehensive, multiscale computer model for the coupled radiolytic and hydrolytic degradation of AHA in aqueous sodium nitrate and nitric acid solutions. Rate coefficients for the reactions of AHA and HA with the oxidizing nitrate radical were measured for the first time using pulsed electron radiolysis and used as inputs in the kinetic model. The computer model results are validated by comparison to experimental data from steady state gamma irradiations, for which the agreement is excellent. Here, the presented model accurately predicts the yields of the major degradation products of AHA: acetic acid, hydroxylamine, nitrous oxide, and molecular hydrogen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Direct Electrical Detection of Iodine Gas by a Novel Metal–Organic-Framework-Based Sensor

High-fidelity detection of iodine species is of utmost importance to the safety of the population in cases of nuclear accidents or advanced nuclear fuel reprocessing. In this paper, we describe the success at using impedance spectroscopy to directly detect the real-time adsorption of I 2 by a metal–organic framework zeolitic imidazolate framework (ZIF)-8-based sensor. Methanolic suspensions of ZIF-8 were dropcast onto platinum interdigitated electrodes, dried, and exposed to gaseous I 2 at 25, 40, or 70 °C. Using an unoptimized sensor geometry, I 2 was readily detected at 25 °C in air within 720 s of exposure. The specific response is attributed to the chemical selectivity of the ZIF-8 toward I 2 . Furthermore, equivalent circuit modeling of the impedance data indicates a >10 5 × decrease in ZIF-8 resistance when 116 wt % I 2 is adsorbed by ZIF-8 at 70 °C in air. This irreversible decrease in resistance is accompanied by an irreversible loss in the long-range crystallinity, as evidenced by X-ray diffraction and infrared spectroscopy. Air, argon, methanol, and water were found to produce minimal changes in ZIF-8 impedance. Finally, this report demonstrates how selective I 2 adsorption by ZIF-8 can be leveraged to create a highly selective sensor using >10 5 × changes in impedance response to enable the direct electrical detection of environmentally relevant gaseous toxins.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Off-Gas Adsorption Model Capabilities and Recommendations

Off-gas treatment is required to reduce emissions from aqueous fuel reprocessing. Evaluating the products of innovative gas adsorption research requires increased computational simulation capability to more effectively transition from fundamental research to operational design. Early modeling efforts produced the Off-Gas SeParation and REcoverY (OSPREY) model that, while efficient in terms of computation time, was of limited value for complex systems. However, the computational and programming lessons learned in development of the initial model were used to develop Discontinuous Galerkin OSPREY (DGOSPREY), a more effective model. Initial comparisons between OSPREY and DGOSPREY show that, while OSPREY does reasonably well to capture the initial breakthrough time, it displays far too much numerical dispersion to accurately capture the real shape of the breakthrough curves. DGOSPREY is a much better tool as it utilizes a more stable set of numerical methods. In addition, DGOSPREY has shown the capability to capture complex, multispecies adsorption behavior, while OSPREY currently only works for a single adsorbing species. This capability makes DGOSPREY ultimately a more practical tool for real world simulations involving many different gas species. While DGOSPREY has initially performed very well, there is still need for improvement. The current state of DGOSPREY does not include any micro-scale adsorption kinetics and therefore assumes instantaneous adsorption. This is a major source of error in predicting water vapor breakthrough because the kinetics of that adsorption mechanism is particularly slow. However, this deficiency can be remedied by building kinetic kernels into DGOSPREY. Another source of error in DGOSPREY stems from data gaps in single species, such as Kr and Xe, isotherms. Since isotherm data for each gas is currently available at a single temperature, the model is unable to predict adsorption at temperatures outside of the set of data currently available. Thus, in order to improve the predictive capabilities of the model, there is a need for more single-species adsorption isotherms at different temperatures, in addition to extending the model to include adsorption kinetics. This report provides background information about the modeling process and a path forward for further model improvement in terms of accuracy and user interface.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

The Rise and Fall of ASASSN-18pg: Following a TDE from Early to Late Times

Here, we present nearly 500 days of observations of the tidal disruption event (TDE) ASASSN-18pg, spanning from 54 days before peak light to 441 days after peak light. Our data set includes X-ray, UV, and optical photometry, optical spectroscopy, radio observations, and the first published spectropolarimetric observations of a TDE. ASASSN-18pg was discovered on 2018 July 11 by the All-Sky Automated Survey for Supernovae (ASAS-SN) at a distance of $\textit{d}$ = 78.6 Mpc; with a peak UV magnitude of $\textit{m}$ ≃ 14, it is both one of the nearest and brightest TDEs discovered to-date. The photometric data allow us to track both the rise to peak and the long-term evolution of the TDE. ASASSN-18pg peaked at a luminosity of $\textit{L}$ ≃ 2.4 × 10 44 erg s -1 , and its late-time evolution is shallower than a flux ∝$\textit{t}^{–5/3}$ power-law model, similar to what has been seen in other TDEs. ASASSN-18pg exhibited Balmer lines and spectroscopic features consistent with Bowen fluorescence prior to peak, which remained detectable for roughly 225 days after peak. Analysis of the two-component Hα profile indicates that, if they are the result of reprocessing of emission from the accretion disk, the different spectroscopic lines may be coming from regions between ~10 and ~60 lt-days from the black hole. No X-ray emission is detected from the TDE, and there is no evidence of a jet or strong outflow detected in the radio. Our spectropolarimetric observations indicate that the projected emission region is likely not significantly aspherical, with the projected emission region having an axis ratio of ≳0.65.

79 ASTRONOMY AND ASTROPHYSICS↗