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DOE OSTI2021

A Full Spectrum of Characterization for Insight into Carbon Speciation and Removal on a Cu/BEA Catalyst During Renewable High-Octane Hydrocarbon Synthesis

Conversion of methanol and dimethyl ether to high-octane gasoline catalyzed by beta zeolite (BEA) provides an opportunity for the production of high-quality fuels from renewable carbon sources (e.g., gasified biomass). Recent research demonstrated that a Cu-modified BEA zeolite catalyst (Cu/BEA) offered advantages over the unmodified BEA catalyst due to multifunctional Cu species that enabled incorporation of co-fed H2, reactivation of light alkanes, and reduction of products from the aromatic hydrocarbon pool. The shift in hydrocarbon pool chemistry has the potential to influence the identity and relative composition of surface carbon species that are often linked to deactivation. A detailed understanding of these carbon species is important to develop an effective and efficient regeneration procedure that can enable the transition from fundamental catalyst development to commercial application. Here, we applied complementary ex situ and in situ characterization techniques to compare the structures of surface carbon species on post-reaction Cu/BEA and unmodified BEA catalysts. Both catalysts contained acyclic and aromatic hydrocarbons along with graphitic carbon species. However, the post-reaction Cu/BEA catalyst had a lower polycyclic aromatic content, and further, the graphitic species were more hydrogenated and defective. It was also found that the presence of Cu promoted carbon removal at lower temperatures than for unmodified BEA through activation of O2 by Cu during thermal oxidation. The fundamental insight into the composition of surface carbon species enabled the design of an effective and efficient regeneration strategy for the DME homologation reaction over Cu/BEA, resulting in full recovery of the catalyst activity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Spectroscopic insight into carbon speciation and removal on a Cu/BEA catalyst during renewable high-octane hydrocarbon synthesis

Conversion of methanol and dimethyl ether (DME) to high-octane gasoline catalyzed by beta zeolite (BEA) provides an opportunity for the production of high-quality fuels from renewable carbon sources (e.g., gasified biomass). Recent research demonstrated that a Cu-modified BEA zeolite catalyst (Cu/BEA) offered advantages over the unmodified BEA catalyst due to multifunctional Cu species that enabled incorporation of co-fed H2, reactivation of light alkanes, and reduction of products from the aromatic hydrocarbon pool. The shift in hydrocarbon pool chemistry has the potential to influence the identity and relative composition of surface carbon species that are often linked to deactivation. A detailed understanding of these carbon species is important to develop an effective and efficient regeneration procedure that can enable the transition from fundamental catalyst development to commercial application. Here, we applied complementary ex situ and in situ characterization techniques to compare the structures of surface carbon species on post-reaction Cu/BEA and unmodified BEA catalysts. Both catalysts contained acyclic and aromatic hydrocarbons along with graphitic carbon species. However, the post-reaction Cu/BEA catalyst had a lower polycyclic aromatic content, and further, the graphitic species were more hydrogenated and defective. It was also found that the presence of Cu promoted carbon removal at lower temperatures than for unmodified BEA through activation of O2 by Cu oxide during thermal oxidation. The fundamental insight into the composition of surface carbon species enabled the design of an effective and efficient regeneration strategy for the DME homologation reaction over Cu/BEA, resulting in full recovery of the catalyst activity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2015

A Public-Private-Academic Partnership to Advance Solar Power Forecasting

Executive Summary NOAA is making major contributions to the solar forecasting project in three areas. First, it is improving its forecasts of solar irradiance, clouds, and aerosols in its numerical weather prediction models. Second, it is providing advanced satellite products for DOE's FOA awardees to use in their forecast systems. Third, it is using high-quality ground-based measurements from SURFRAD and ISIS stations to verify and validate forecast model output. This reports covers results from all three areas for the period May 1, 2014 - April 30, 2015. Modeling In its modeling effort, NOAA continues work to improve the skill of solar forecasts from the Earth System Research Lab (ESRL) research versions of the 13-km Rapid Refresh (RAP) and the 3-km High-Resolution Rapid Refresh (HRRR) models, which are in turn transitioned into operations at the National Centers for Environmental Prediction (NCEP). A major milestone was achieved in September 2014 with the initial operational implementation of the HRRR at NCEP. In the ESRL research versions of the models, testing and development, in both real-time runs and retrospective experiments, is guided by an extensive in-house verification system. Early in the SFIP project, we developed the capability to verify our model forecasts against the high-quality surface radiation measurements from the SURFRAD and ISIS networks. This highlighted some shortcomings with the RAP and HRRR forecasts of incoming shortwave radiation. Most of our effort during Phase 1 of SFIP was focused on addressing these problems with a variety of model system improvements. The RAP and HRRR models during the warm season of 2014 had a noticeable warm and dry bias in near-surface conditions over most of the central and eastern United States, and our new SURFRAD/ISIS verification revealed that there was also a large excess of incoming global horizontal irradiance in the models. We hypothesized that a lack of cloud cover (particularly low-level cloud cover) in the models was resulting in too much heating of the land surface. This, in turn, caused unrealistically strong surface heat fluxes and turbulent mixing in the planetary boundary layer (PBL), which further reduced the already deficient cloud cover. We addressed these issues with a combination of data assimilation system modifications and model physics improvements. Many of our data assimilation changes were made with a view towards improving the near-term representation of clouds and precipitation. One of these changes involved better accounting for regions of weak reflectivity in the RAP cloud / hydrometeor assimilation system, in order to improve the representation of light precipitation in the RAP initial conditions and provide more realistic initial cloud cover. Additional modifications more accurately accounted for radar beam blockage and data gaps (particularly in the western United States), which improves shorter lead times forecasts of clouds and precipitation. We have also tested the assimilation of new data sources within the RAP and the HRRR, including radar radial velocity data and surface mesonet observations. Within the HRRR, we have tested the cycling of the 3-km land surface fields to allow a higher-resolution treatment of land surface processes. In terms of model physics development for SFIP, we have implemented a shallow cumulus scheme within the RAP, and have made numerous improvements to the Mellor-Yamada-Nakanishi-Niino (MYNN) PBL scheme to address insufficient low-level cloud cover in the models. We have conducted tests incorporating the radiation effects of (parameterized) boundary-layer clouds within the modified MYNN PBL scheme (independent of the convective schemes). The Grell-Freitas-Olson shallow cumulus scheme has also been tested within the 3-km HRRR. Finally, we have also modified the RUC land surface model (LSM) treatment of the vegetation wilting point, reducing it to increase evapotranspiration and increase cloud cover in the boundary layer. All of these changes work in tandem to significantly improve the model forecasts of cloud cover, incoming shortwave radiation, and near-surface temperature and moisture. Satellite The role of NOAA/NESDIS in the Solar Forecasting Improvement Project is to provide Advanced Satellite Products (ASPs) for the two forecasting teams at NCAR and IBM. The ASPs are cloud, surface, and atmosphere products derived from geostationary satellite imagery at the highest possible spatial and temporal resolution - such quantities as cloud mask, cloud probability, cloud transmission, cloud top height, cloud top temperature, cloud effective particle size, etc. Ancillary data, such as elevation and numerical weather prediction fields are provided in the files at the same resolution as well. There are at this time 147 different variables in the ASP output, including quality flags and processing information. The main goals for Year 1 of the project were to implement an Advanced Satellite Products system for the use of the IBM and NCAR teams, begin validation, and make any needed changes based on feedback from the teams. ASP files are being produced every GOES Imager acquisition, which occur on a 15-30 minute schedule. Processing is done on a dedicated computer, with a turn-around time of 8-21 minutes from image acquisition to results available on ftp. Several helpful visualizations of the data are also created for users on web pages. Users have been provided with a document titled "User's Guide for 1km Cloud Products Derived from GOES Imager Data using CLAVR-x", which discusses the basics of the source imagery, the process by which it is turned into Advanced Satellite Products, and considerations users should make when using the data. Validation of selected variables from the older 4km version of the products was also included. Future work will concentrate on validation of the 1km products and improving the turn-around time, product variety, and product quality as needed. Ground Observations In the ground-based measurement effort, NOAA's main objectives are to provide high quality radiation products for validation and verification of short-term to day-ahead solar forecasts. More specifically for the three year project, our goals include (1) Maintaining and providing data from our 7 SURFRAD and 7 ISIS; (2) Update ISIS radiation measurements from 3 min to 1 min data: (3) Purchase and install new pyrheliometers for direct solar irradiance measurements at the 7 SURFRAD sites; (4) Building, testing, and deploying two mobile SURFRAD stations at two utility plants in collaboration with DOE sponsored partners, and includes ongoing maintenance and processing of the data at the mobile sites; (5) Upgrading the data acquisition and communications at 7 SURFRAD sites and 7 ISIS sites; (6) Providing radiation data at the 7 SURFRAD sites in near real-time; (7) Develop and provide aerosol optical depth and cloud images and cloud fraction at our two mobile sites; (8) Provide data recovery rates each year; (9) Provide temporally and spatially averaged radiation products for comparison to HRRR and RAP solar forecasts and advanced satellite products; (10) Provide a data-set for analysis of conversion of direct and diffuse to sloped surfaces; (11) and as time permits develop and provide spectral solar irradiance, cloud optical depth and spectral albedo from the mobile sites. Milestones this year include working with the DOE sponsored teams to find locations to deploy two mobile SURFRAD stations. One existing unit was deployed at a 30MW PV facility in the San Luis Valley in collaboration with Xcel and the NCAR team in August, 2014. The second unit was built and tested at our facilities in Boulder, CO and deployed near Green Mountain Power's Education Center in Rutland, VT in collaboration with Green Mountain Power and the IBM Team in October, 2014. Data processing was implemented and the radiation data from these two mobile sites have been made available on our ftp server in near real-time. We also are providing images and cloud fraction from the TSI cameras for these two mobile sites on our ftp site. Another milestone was upgrading our data acquisition and communication systems at 7 SURFRAD and 7 ISIS sites. We accelerated our schedule for these upgrades to provide timely radiation products. These upgrades allow more reliable and near-real time radiation data delivery to the DOE sponsored teams to meet their goals. Lastly, we changed the data rate at the ISIS sites from 3 min to 1 min.

14 SOLAR ENERGY↗
DOE OSTI2018

Cross-Vendor and Cross-State Analysis of GPS Probe Data Latency

Crowd sourced GPS probe data have become a major source of real-time traffic information applications. In addition to traditional traveler advisory systems such as dynamic message signs (DMS) and 511 systems, probe data are being used for automatic incident detection, integrated corridor management (ICM), end of queue warning systems, and mobility-related smartphone applications. Several private sector vendors offer minute by minute network-wide travel time and speed probe data. The quality of such data in terms of deviation of the reported travel time and speeds from ground-truth has been extensively studied in recent years, and as a result concerns over the accuracy of probe data have mostly faded away. However, the latency of probe data - defined as the lag between the time at which disturbance in traffic speed is reported in the outsourced data feed, and the time at which the traffic is perturbed - has become a subject of interest. The extent of latency of probe data for real-time applications is critical, so it is important to have a good understanding of the amount of latency and its influencing factors. This paper uses high-quality independent Bluetooth/Wi-Fi re-identification data collected on multiple freeway segments in three different states, to measure the latency of the vehicle probe data provided by three major vendors. The statistical distribution of the latency and its sensitivity to speed slowdown and recovery periods are discussed.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2015

Tritium contamination and decontamination of sealing oil for vacuum pump

The existence of tritium-contaminated oils from vacuum pumps used in tritium facilities, is becoming an important issue since there is no disposal way for tritiated waste oils. On recovery of tritiated water vapor in gas streams, it is well-known that the isotope exchange reaction between the gas phase and the liquid phase occurs effectively at room temperature. We have carried out experiments using bubbles to examine the tritium contamination and decontamination of a volume of rotary-vacuum-pump oil. The contamination of the pump oil was made by bubbling tritiated water vapor and tritiated hydrogen gas into the oil. Subsequently the decontamination was processed by bubbling pure water vapor and dry argon gas into the tritiated oil. Results show that the water vapor bubbling was more effective than dry argon gas. The experiment also shows that the water vapor bubbling in an oil bottle can remove and transfer tritium efficiently from the tritiated oil into another water-bubbling bottle.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

TU-F-BRF-09: Feasibility Study of Spatial and Temporal Fractionation Using a Table-Top Image-Guided MRT System

Purpose: Microbeam radiation therapy is a promising experimental radiotherapy method for cancer treatment. Synchrotron studies have shown that MRT can preferentially ablate tumors while mostly preserving the surrounding normal tissues. Our purpose is to develop a compact microbeam irradiator that can be accessible for laboratory research on MRT's therapeutic mechanism, with the ultimate goal of translating this technique for clinical applications. Utilizing a carbon nanotube field emission X-ray source array, our lab has developed a first of its kind table-top microbeam irradiator. The purpose of this study is to investigate the possibility of increasing the total dose to the tumor region using spatial and temporal fractionation. Methods: MRI and CT scans were acquired and registered to locate both the target region and the landmark in the treatment coordinate space. A crossbeam treatment configuration was planned to achieve the desired dosage and tumor coverage. One array of 300 μm-thick microbeams was delivered to the target on the first day. Another array, perpendicular to the first one, was delivered the next day targeting the same region. The feasibility of this image-guided MRT procedure was evaluated using a phantom. Gafchromic EBT2 film was employed to characterize the targeting accuracy and the delivered tumor dose. Results: The preliminary phantom study showed that a cross-pattern of microbeam arrays was successfully delivered with sub-millimeter targeting accuracy. The delivered dose in the target region was doubled. The fraction of tumor volume that received the peak dose was increased. Conclusion: Temporal fractionation of crosspatterned microbeams can be delivered to the same target region. The feasibility of this procedure was investigated with a phantom study. Once implemented, this procedure has the potential of increasing the tumor control effect of MRT and of achieving better normal tissue recovery.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Path Forward for Groundwater Compliance Strategy at the Tuba City, Arizona, Disposal Site - 19581

The Tuba City, Arizona, Disposal Site is located in the Navajo Nation and near the Hopi Reservation. A uranium mill operated at the site from 1956 to 1966. During the operational period, mill tailings were slurried to an unlined impoundment. Excess slurry water was transferred to unlined evaporation ponds. Groundwater contamination resulting from the infiltration of fluids in the mill tailings impoundment and evaporation ponds was characterized in the 1990's. The site's Groundwater Compliance Action Plan was prepared in 1999, and a groundwater extraction and treatment system was constructed in 2002. Issues with aquifer productivity and treatment plant reliability led to the suspension of operations in 2014. The limitations of the remediation system prompted a realization that the site conceptual model should be reevaluated. An integrated study to better understand the geochemical and hydrologic factors affecting contaminant transport, to support the development of a new groundwater compliance strategy, was initiated in 2017 and is ongoing. In addition to the groundwater science components, the study included the evaluation of enhanced evaporation methods. The integrated evaluation will lead to refinement of the site groundwater flow model and development of a contaminant transport model and subsequent development of remedial alternatives. Remedial alternatives will be evaluated to determine a new groundwater compliance strategy. The objectives of geochemical testing were to confirm and quantify geochemical reactions controlling uranium fate and transport. These reactions are important because they control the distribution of uranium on the solid phase; potential for release from the solid phase; mobility of uranium in the water phase; and potential for uranium redistribution onto the currently uncontaminated solid phase. A key outcome is the change in understanding of the mass of uranium in the subsurface that is potentially soluble. These results contradict the previous basis for remediation: that uranium was almost exclusively present in soluble form, within the boundaries of the contaminant plume. Testing showed that uranium sorption downgradient from the plume was measurable but relatively minimal. The movement of other mill-related constituents (nitrate, sulfate, alkalinity) results in the dissolution of naturally occurring uranium and a higher than background concentration of uranium in groundwater. These constituents are not subject to sorption, and their downgradient concentrations are reduced only by diffusion and dispersion. The geochemical testing provides conceptual and quantitative information on potential plume migration. While the testing revealed the potential availability of uranium contaminant sources, the aquifer buffering capacity, pH, and presence of oxygen in groundwater may, individually or in combination, be controlling factors for plume movement. Evaluation of evaporative treatment alternatives was undertaken to determine one or more sustainable and efficient methods capable of treating 151 liters per minute (L/min) (40 gallons per minute), the annual average flow rate. In addition to establishing the baseline capacity for evaporation using the site's existing pond, prospective methods of enhanced evaporation included preheating water before inflow to the evaporation pond, vertical circulation in the pond, dye addition, and Wind-Aided Intensified Evaporation. Consideration of a 151 L/min evaporative treatment arose from previous analysis of extraction well production rates and contaminant mass removal, which indicated that about 80% contaminant removal, relative to full-scale operation of the site's groundwater treatment plant, could be achieved with a smaller capacity system. The lower-flow evaporative option also represented a potentially more sustainable treatment system in comparison to restarting or reconfiguring the groundwater treatment plant. Aquifer pumping tests were designed to develop or improve estimates of hydraulic properties such as transmissivity, horizontal and vertical hydraulic conductivity, storativity, and storage coefficient. Testing involved pumping from one well at a constant flow rate for up to 5 days while monitoring groundwater drawdown in the pumping well and five surrounding wells and then shutting down the pumping well to observe groundwater recovery. The aquifer pumping test results provide insight regarding the hydraulics of the saturated zone. The saturated zone is in a low-conductivity formation with preferential flow in the horizontal direction. The aquifer exhibits low vertical conductance. The use of AQTESOLV software indicates that the saturated zone is a layered system due to the cross-bedded sand-grain orientation within the Navajo Sandstone. These indicators of limited vertical flow provide a potential justification for the observed depth of the contaminant plume of 15-46 meters (50-150 feet) below ground surface). Given the relatively low vertical conductance, groundwater extraction should be focused on the upper portions of the saturated zone. Aquifer response testing provided an improved understanding of aquifer characteristics. However, the primary objective, to identify optimal groundwater extraction strategies, has not been fully addressed. A list of path forward activities for hydrologic analyses was developed, with an overarching objective of providing input parameters for groundwater flow and contaminant transport modeling. Defensible predictions of contaminant transport, through modeling, are critical to the development of a new site groundwater compliance strategy. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

AGR-3/4 Irradiation Test Train Disassembly and Component Metrology First Look Report

The AGR-3/4 experiment was designed to study fission product transport within graphitic matrix material and nuclear-grade graphite. To this end, this experiment consisted of 12 capsules, each fueled with 4 compacts containing UCO TRISO particles as driver fuel and 20 UCO designed-to-fail (DTF) fuel particles in each compact. The DTF fuel was fabricated with a thin pyrocarbon layer which was intended to fail during irradiation and provide a source of fission products. These fission products could then migrate through the compact and into the surrounding concentric rings of graphitic matrix material and/or nuclear graphite. Through post-irradiation examination (PIE) of the rings (including physical sampling and gamma scanning) fission product concentration profiles within the rings can be determined. These data can be used to elucidate fission product transport parameters (e.g. diffusion coefficients within the test materials) which will be used to inform and refine models of fission product transport. After irradiation in the Advanced Test Reactor (ATR) had been completed in April 2014, the AGR-3/4 experiment was shipped to the Hot Fuel Examination Facility (HFEF) at the Materials and Fuels Complex (MFC) for inspection, disassembly, and metrology. The AGR-3/4 test train was received at MFC in two separate shipments between February and April 2015. Visual examinations of the test train exterior did not indicate dimensional distortion, and only two small discolored areas were observed at the bottom of Capsules 8 and 9. No corresponding discoloration was found on the inside of these capsules, however. Prior to disassembly, the two test train sections were subject to analysis via the Precision Gamma Scanner (PGS), which did not indicate that any gross fuel relocation had occurred. A series of specialized tools (including clamps, cutters, and drills) had been designed and fabricated in order to carry out test train disassembly and recovery of capsule components (graphite rings and fuel compacts). This equipment performed well for separating each capsule in the test train and extracting the capsule components. Only a few problems were encountered. In one case, the outermost ring (the sink ring) was cracked during removal of the capsule through tubes. Although the sink ring will be analyzed in order to obtain a mass balance of fission products in the experiment, these cracks do not pose a major concern because the sink ring will not be analyzed in detail to obtain the spatial distribution of fission products. In Capsules 4 and 5, the compacts could not be removed from the inner rings. Strategies for removing the compacts are being evaluated. Sampling the inner rings with the compacts in-place is also an option. Dimensional measurements were made on the compacts, inner rings, outer rings, and sink rings. The diameters of all compacts decreased by 0.5 to 2.0 %. Generally, the extent of diametric shrinkage increased linearly with increasing neutron fluence. Most compact lengths also decreased. Compact lengths decreased with increasing fluence, reaching maximum shrinkage of about 0.9 % at a fast fluence of 4.0x10 25 n/m 2 E > 0.18 MeV. Above this fluence, the extent of length shrinkage appeared to decrease with fluence, and two compacts from Capsule 7 were found to have slightly increased in length (< 0.1 %) after a fluence of 5.2x10 25 n/m 2 .

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

AGR-3/4 Irradiation Test Train Disassembly and Component Metrology First Look Report

The AGR-3/4 experiment was designed to study fission product transport within graphitic matrix material and nuclear-grade graphite. To this end, this experiment consisted of 12 capsules, each fueled with 4 compacts containing UCO TRISO particles as driver fuel and 20 UCO designed-to-fail (DTF) fuel particles in each compact. The DTF fuel was fabricated with a thin pyrocarbon layer which was intended to fail during irradiation and provide a source of fission products. These fission products could then migrate through the compact and into the surrounding concentric rings of graphitic matrix material and/or nuclear graphite. Through post-irradiation examination (PIE) of the rings (including physical sampling and gamma scanning) fission product concentration profiles within the rings can be determined. These data can be used to elucidate fission product transport parameters (e.g. diffusion coefficients within the test materials) which will be used to inform and refine models of fission product transport. After irradiation in the Advanced Test Reactor (ATR) had been completed in April 2014, the AGR-3/4 experiment was shipped to the Hot Fuel Examination Facility (HFEF) at the Materials and Fuels Complex (MFC) for inspection, disassembly, and metrology. The AGR-3/4 test train was received at MFC in two separate shipments between February and April 2015. Visual examinations of the test train exterior did not indicate dimensional distortion, and only two small discolored areas were observed at the bottom of Capsules 8 and 9. No corresponding discoloration was found on the inside of these capsules, however. Prior to disassembly, the two test train sections were subject to analysis via the Precision Gamma Scanner (PGS), which did not indicate that any gross fuel relocation had occurred. A series of specialized tools (including clamps, cutters, and drills) had been designed and fabricated in order to carry out test train disassembly and recovery of capsule components (graphite rings and fuel compacts). This equipment performed well for separating each capsule in the test train and extracting the capsule components. Only a few problems were encountered. In one case, the outermost ring (the sink ring) was cracked during removal of the capsule through tubes. Although the sink ring will be analyzed in order to obtain a mass balance of fission products in the experiment, these cracks do not pose a major concern because the sink ring will not be analyzed in detail to obtain the spatial distribution of fission products. In Capsules 4 and 5, the compacts could not be removed from the inner rings. Strategies for removing the compacts are being evaluated. Sampling the inner rings with the compacts in-place is also an option. Dimensional measurements were made on the compacts, inner rings, outer rings, and sink rings. The diameters of all compacts decreased by 0.5 to 2.0 %. Generally, the extent of diametric shrinkage increased linearly with increasing neutron fluence. Most compact lengths also decreased. Compact lengths decreased with increasing fluence, reaching maximum shrinkage of about 0.9 % at a fast fluence of 4.0x1025 n/m2 E > 0.18 MeV. Above this fluence, the extent of length shrinkage appeared to decrease with fluence, and two compacts from Capsule 7 were found to have slightly increased in length (< 0.1 %) after a fluence of 5.2x1025 n/m2.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2010

Infrastructure Ecology for Sustainable and Resilient Urban Infrastructure Design

The population growth coupled with increasing urbanization is predicted to exert a huge demand on the growth and retrofit of urban infrastructure, particularly in water and energy systems. The U.S. population is estimated to grow by 23% (UN, 2009) between 2005 and 2030. The corresponding increases in energy and water demand were predicted as 14% (EIA, 2009) and 20% (Elcock, 2008), respectively. The water-energy nexus needs to be better understood to satisfy the increased demand in a sustainable manner without conflicting with environmental and economic constraints. Overall, 4% of U.S. power generation is used for water distribution (80%) and treatment (20%). 3% of U.S. water consumption (100 billion gallons per day, or 100 BGD) and 40% of U.S. water withdrawal (340 BGD) are for thermoelectric power generation (Goldstein and Smith, 2002). The water demand for energy production is predicted to increase most significantly among the water consumption sectors by 2030. On the other hand, due to the dearth of conventional water sources, energy intensive technologies are increasingly in use to treat seawater and brackish groundwater for water supply. Thus comprehending the interrelation and interdependency between water and energy system is imperative to evaluate sustainable water and energy supply alternatives for cities. In addition to the water-energy nexus, decentralized or distributed concept is also beneficial for designing sustainable water and energy infrastructure as these alternatives require lesser distribution lines and space in a compact urban area. Especially, the distributed energy infrastructure is more suited to interconnect various large and small scale renewable energy producers which can be expected to mitigate greenhouse gas (GHG) emissions. In the case of decentralized water infrastructure, on-site wastewater treatment facility can provide multiple benefits. Firstly, it reduces the potable water demand by reusing the treated water for non-potable uses and secondly, it also reduces the wastewater load to central facility. In addition, lesser dependency on the distribution network contributes to increased reliability and resiliency of the infrastructure. The goal of this research is to develop a framework which seeks an optimal combination of decentralized water and energy alternatives and centralized infrastructures based on physical and socio-economic environments of a region. Centralized and decentralized options related to water, wastewater and stormwater and distributed energy alternatives including photovoltaic (PV) generators, fuel cells and microturbines are investigated. In the context of the water-energy nexus, water recovery from energy alternatives and energy recovery from water alternatives are reflected. Alternatives recapturing nutrients from wastewater are also considered to conserve depleting resources. The alternatives are evaluated in terms of their life-cycle environmental impact and economic performance using a hybrid life cycle assessment (LCA) tool and cost benefit analysis, respectively. Meeting the increasing demand of a test bed, an optimal combination of the alternatives is designed to minimize environmental and economic impacts including CO2 emissions, human health risk, natural resource use, and construction and operation cost. The framework determines the optimal combination depending on urban density, transmission or conveyance distance or network, geology, climate, etc. Therefore, it will be also able to evaluate infrastructure resiliency against physical and socio-economic challenges such as population growth, severe weather, energy and water shortage, economic crisis, and so on.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Distributed Acoustic Sensing (DAS) Seismic Monitoring of CO 2 Injected for Enhanced Oil Recovery in Northern Michigan (Volume II.C)

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. This report describes the monitoring study conducted to assess the effectiveness of DAS (Distributed Acoustic Sensing) -based VSP (Vertical Seismic Profiling) technology for delineating CO 2 injected into the Silurian-age pinnacle reefs in northern Michigan, the host rocks for the MRCSP Phase III demonstration project. The DAS VSP study was conducted in the Chester 16 reef, one of several reefs in Otsego County Michigan that is operated by Core Energy, LLC of Traverse City, Michigan. Time-lapse DAS VSP was implemented at the Chester 16 reef to attempt to detect approximately 85,000 tonnes of CO 2 injected into the A-1 Carbonate and Brown Niagaran Formations. A baseline survey was conducted in February 2017 prior to injecting CO 2 and a repeat survey was conducted in August 2018. During the interim period between the baseline and repeat surveys, CO 2 was injected into the Chester 16 reef via the 6-16 injection well without production (withdrawal) of fluids from the reef. A grid of 181 source positions consisting of 44 vibrator positions, plus 137 dynamite shot locations, was used to give approximately continuous spatial coverage of the injection zone (A-1 Carbonate and upper Brown Niagaran) in the area between the two wells.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2014

Development of iron phosphate ceramic waste form to immobilize radioactive waste solution

The objective of this research was to develop an iron phosphate ceramic (IPC) waste form using converter slag obtained as a by-product of the steel industry as a source of iron instead of conventional iron oxide. Both synthetic off-gas scrubber solution containing technetium-99 (or Re as a surrogate) and LiCl-KCl eutectic salt, a final waste solution from pyrochemical processing of spent nuclear fuel, were used as radioactive waste streams. The IPC waste form was characterized for compressive strength, reduction capacity, chemical durability, and contaminant leachability. Compressive strengths of the IPC waste form prepared with different types of waste solutions were 16 MPa and 19 MPa for LiCl-KCl eutectic salt and the off-gas scrubber simulant, respectively, which meet the minimum compressive strength of 3.45 MPa (500 psi) for waste forms to be accepted into the radioactive waste repository. The reduction capacity of converter slag, a main dry ingredient used to prepare the IPC waste form, was 4,136 meq/kg by the Ce(IV) method, which is much higher than those of the conventional Fe oxides used for the IPC waste form and the blast furnace slag materials. Average leachability indexes of Tc, Li, and K for the IPC waste form were higher than 6.0, and the IPC waste form demonstrated stable durability even after 63-day leaching. In addition, the Toxicity Characteristic Leach Procedure measurements of converter slag and the IPC waste form with LiCl-KCl eutectic salt met the universal treatment standard of the leachability limit for metals regulated by the Resource Conservation and Recovery Act. This study confirms the possibility of development of the IPC waste form using converter slag, showing its immobilization capability for radionuclides in both LiCl-KCl eutectic salt and off-gas scrubber solutions with significant cost savings.

converter slag↗
DOE OSTI2021

Transmission-and-Distribution Dynamic Co-simulation Framework for Distributed Energy Resource Frequency Response

The rapid deployment of distributed energy resources (DERs) in distribution networks has made it challenging to balance the transmission system and stabilize frequency. DERs have the ability to provide frequency regulation services; however, existing frequency dynamic simulation tools - which were developed mainly for the transmission system - lack the capability to simulate distribution network dynamics with high penetrations of DERs. Although electromagnetic transient simulation tools can simulate distribution network dynamics, the computation efficiency limits their use for large-scale transmission-and-distribution (T&D) co-simulation. This paper presents an efficient open-source T&D dynamic co-simulation framework for DER frequency response based on the HELICS platform and off-the-shelf T&D simulators. The challenge of synchronizing the simulation time between the transmission network and the DERs in the distribution network is solved through the detailed modeling of DERs in frequency dynamic models while DER power flow models are also preserved in the distribution networks, thereby respecting local voltage constraints when dispatching DER power for frequency response. DER frequency response (primary and secondary) is simulated in case studies to validate the proposed framework. Last, the accuracy of the proposed co-simulation model is benchmarked, and a large T&D system simulation (2k transmission and 1M distribution nodes) is presented to demonstrate the efficiency and effectiveness of the overall framework.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Implementation of a Pressure Correction Term in the CTF Subchannel Code

CTF is a modernized and improved version of the legacy subchannel code COBRA-TF, being jointly developed and maintained by Oak Ridge National Laboratory (ORNL) and North Carolina State University. The code was adopted by ORNL for use in the Consortium for Advanced Simulation of Light Water Reactors (CASL) in 2012 to help address CASL challenge problems. Since that time, activities related to CTF have included implementing software quality assurance measures, implementing new features and models, performing validation and verification testing, establishing and supporting a CTF user group, and developing the code for use in coupled applications. CTF is applicable to single- and two-phase flows in light water reactor geometries at normal and accident operating conditions. The two-phase flow model consists of the six-equation two-phase flow model augmented by equations for the droplet field, and it also includes appropriate source terms. This work focuses on the numerical stability of the six-equation two-phase flow model and is part of a recent effort to improve CTF capabilities for simulating flows in boiling water reactors (BWRs). The six-equation two-phase flow model is not strongly hyperbolic, meaning that some of its eigenvalues are either not real or not distinct. In a Cauchy sense, and for an initial-value problem, strong hyperbolicity was found to be equivalent to well-posedness, which ensures the uniqueness of the solution in the space-time used. This concept is also of importance when designing high-order numerical methods and also when implementing boundary conditions that rely on real eigenvalues such as Riemann solvers. A tremendous amount of research is available in the literature on how to hyperbolize the six-equation two-phase flow model by adding ad hoc terms to the system of equations. Such terms are often referred to as virtual mass or interfacial pressure correction terms. From a mathematical perspective, this approach adds terms to the phasic momentum equation containing first-order partial derivatives of the unknowns to modify the Jacobian matrix, thus the imaginary part of the eigenvalues. For this work, an interfacial pressure correction (IPC) term on the same model as what was used for the CATHARE system code, is implemented in CTF. This allows for recovery of a two-pressure formulation. In the following, the six-equation two-phase flow model is recalled, along with the IPC term and its influence on the eigenvalues. Then, numerical results and convergence studies are presented for a water-faucet problem at a pressure of 10 bar. Finally, conclusions and future work are addressed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2014

Reconciliation of Halogen-Induced Ozone Loss with the Total-Column Ozone Record

The observed depletion of the ozone layer from the 1980s onwards is attributed to halogen source gases emitted by human activities. However, the precision of this attribution is complicated by year-to-year variations in meteorology, that is, dynamical variability, and by changes in tropospheric ozone concentrations. As such, key aspects of the total-column ozone record, which combines changes in both tropospheric and stratospheric ozone, remain unexplained, such as the apparent absence of a decline in total-column ozone levels before 1980, and of any long-term decline in total-column ozone levels in the tropics. Here we use a chemistry-climate model to estimate changes in halogen-induced ozone loss between 1960 and 2010; the model is constrained by observed meteorology to remove the eects of dynamical variability, and driven by emissions of tropospheric ozone precursors to separate out changes in tropospheric ozone. We show that halogen-induced ozone loss closely followed stratospheric halogen loading over the studied period. Pronounced enhancements in ozone loss were apparent in both hemispheres following the volcanic eruptions of El Chichon and, in particular, Mount Pinatubo, which significantly enhanced stratospheric aerosol loads. We further show that approximately 40% of the long-term non-volcanic ozone loss occurred before 1980, and that long-term ozone loss also occurred in the tropical stratosphere. Finally, we show that halogeninduced ozone loss has declined by over 10% since stratospheric halogen loading peaked in the late 1990s, indicating that the recovery of the ozone layer is well underway.

Shepherd, T. G.↗
DOE OSTI2025

Comparison of measurement techniques and sorption of radium-226 in low and high salinity aqueous samples

Human activities have the potential to redistribute radium (Ra) in the marine environment in a manner that may necessitate monitoring or management of subsequent human or environmental exposures. There is therefore a need to identify accurate and accessible techniques for Ra measurement in high salinity samples and to describe the distribution of Ra in estuarine and marine environments, but most efforts in these areas have focused on low salinity matrices. In addition, rapid and reliable measurements are crucial for time-sensitive samples such as short-lived isotopes or emergency situations. The objective of this study is to describe the limits of detection, cost, and relative ease for measurement of Ra in both low and high salinity aqueous samples via three analytical methods: liquid scintillation counting (LSC), high purity germanium (HPGe) gamma spectrometry, and inductively coupled plasma mass spectrometry (ICP-MS). To contextualize these measurements for real-world scenarios, the partitioning of 226 Ra to substrates relevant to the marine environment was also characterized. Although HPGe detection with solid phase extraction had the lowest limit of detection for low salinity samples (0.27 Bq L −1 ), poor 226 Ra recovery for high salinity samples and high materials costs make this method prohibitive for many users. Limits of detection for high salinity samples were lower for LSC (1.28 Bq L −1 ) than for ICP-MS without dilution (11.4 Bq L −1 ), but significant and unexpected degradation of the high salinity LSC standards was observed after six months. Furthermore, our preferred measurement method for high salinity Ra samples is ICP-MS with sample dilution as necessary to reduce matrix effects.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Electrochemical cleaning: An in-Situ method to reverse chromium poisoning in solid oxide fuel cell cathodes

Chromium poisoning is one of the primary factors that affect solid oxide fuel cell (SOFC) durability. In this study, an electrochemical cleaning method has been employed to reverse the effects of chromium poisoning. Two cells were fabricated and poisoned under identical conditions by operating them at 800°C in the presence of a Cr source. Both poisoned cells exhibited a significant reduction in maximum power density and an increase in polarization resistance. One of the poisoned cells, designated as the baseline cell, was cooled to room temperature after poisoning. Microstructural observation of the baseline cell showed significant contamination of the cathode active layer by chromium oxide and (Cr,Mn) spinel deposits. The other poisoned cell was electrochemically cleaned for two hours under a mild electrolytic condition. As a result of the electrochemical cleaning process, the chromium oxide deposits were substantially removed leading to a significant reduction of Cr concentration in the cathode, especially at the cathode/electrolyte interface. Furthermore, a substantial fraction of the cell performance loss was also reversed. To the best of our knowledge, this is a first demonstration of reversing the effects of chromium poisoning using a rapid in-situ process.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Economic Model for Estimation of GDP Losses in the MACCS Offsite Consequence Analysis Code

The MACCS (MELCOR Accident Consequence Code System) code is the U.S. Nuclear Regulatory Commission (NRC) tool used to perform probabilistic health and economic consequence assessments for atmospheric releases of radionuclides. It is also used by international organizations, both reactor owners and regulators. It is intended and most commonly used for hypothetical accidents that could potentially occur in the future rather than to evaluate past accidents or to provide emergency response during an ongoing accident. It is designed to support probabilistic risk and consequence analyses and is used by the NRC, U.S. nuclear licensees, the Department of Energy, and international vendors, licensees, and regulators. This report describes the modeling framework, implementation, verification, and benchmarking of a GDP-based model for economic losses that has recently been developed as an alternative to the original cost-based economic loss model in MACCS. The GDP-based model has its roots in a code developed by Sandia National Laboratories for the Department of Homeland Security to estimate short-term losses from natural and manmade accidents, called the Regional Economic Accounting analysis tool (REAcct). This model was adapted and modified for MACCS and is now called the Regional Disruption Economic Impact Model (RDEIM). It is based on input-output theory, which is widely used in economic modeling. It accounts for direct losses to a disrupted region affected by an accident, indirect losses to the national economy due to disruption of the supply chain, and induced losses from reduced spending by displaced workers. RDEIM differs from REAcct in its treatment and estimation of indirect loss multipliers, elimination of double counting associated with inter-industry trade in the affected area, and that it is designed to be used to estimate impacts for extended periods that can occur from a major nuclear reactor accident, such as the one that occurred at the Fukushima Daiichi site in Japan. Most input-output models do not account for economic adaptation and recovery, and in this regard RDEIM differs from its parent, REAcct, because it allows for a user-definable national recovery period. Implementation of a recovery period was one of several recommendations made by an independent peer review panel to ensure that RDEIM is state-of-practice. For this and several other reasons, RDEIM differs from REAcct. Both the original and the RDEIM economic loss models account for costs from evacuation and relocation, decontamination, depreciation, and condemnation. Where the original model accounts for an expected rate of return, based on the value of property, that is lost during interdiction, the RDEIM model instead accounts for losses of GDP based on the industrial sectors located within a county. The original model includes costs for disposal of crops and milk that the RDEIM model currently does not, but these costs tend to contribute insignificantly to the overall losses. This document discusses three verification exercises to demonstrate that the RDEIM model is implemented correctly in MACCS. It also describes a benchmark study at five nuclear power plants chosen to represent the spectrum of U.S. commercial sites. The benchmarks provide perspective on the expected differences between the RDEIM and the original cost-based economic loss models. The RDEIM model is shown to consistently predict larger losses than the original model, probably in part because it accounts for national losses by including indirect and induced losses; whereas, the original model only accounts for regional losses. Nonetheless, the RDEIM model predicts losses that are remarkably consistent with the original cost-based model, differing by 16% at most for the five sites combined with three source terms considered in this benchmark.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗