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At least 613 records · Page 34

Spatiotemporal Variability in Transport and Reactive Processes Across a First- to Fifth-Order Fluvial Network

Fluvial networks integrate and transport constituents from terrestrial and aquatic ecosystems. To date, most research on water quality dynamics has focused on process understanding at individual streams and, as a result, there is a lack of studies analyzing how small-scale, physical and biogeochemical drivers scale across fluvial networks. We performed tracer tests in five stream orders of the Jemez River continuum in New Mexico, USA, to quantify reach-scale hyporheic exchange during two different seasonal periods to address: how do hyporheic zone contributions to riverine processing change with space and time? And does the spatiotemporal variability of hyporheic exchange scale across fluvial networks? Combining conservative (i.e., bromide) and reactive (i.e., resazurin) tracer analyses with solute transport modeling, we found a dominance of reaction-limited transport conditions in space (for all stream orders) and time (two contrasting flow regimes). Moreover, we found a trend toward more reaction-limited conditions with increasing discharge across all stream orders. While our studied fluvial network did not consistently follow the expectations of decreasing hyporheic exchange contributions with increasing stream order, as it has been previously suggested from modeling studies, we found that processing rate coefficients and Damköhler numbers consistently decreased along the continuum with increasing discharge. Our findings suggest that knowledge transferability of hyporheic zone processing along fluvial networks may be possible if the scaling patterns that we found hold true in other catchments. Thus, more research on scaling patterns along fluvial networks is highly needed.

Gootman, Kaylyn S.↗

Electrodialysis and nitrate reduction (EDNR) to enable distributed ammonia manufacturing from wastewaters

Underutilized wastewaters containing dilute levels of reactive nitrogen (Nr) can help rebalance the nitrogen cycle. This study describes electrodialysis and nitrate reduction (EDNR), a reactive electrochemical separation architecture that combines catalysis and separations to remediate nitrate and ammonium-polluted wastewaters while recovering ammonia. By engineering operating parameters (e.g., background electrolyte, applied potential, electrolyte flow rate), we achieved high recovery and conversion of Nr in both simulated and real wastewaters. The EDNR process demonstrated long-term robustness and up-concentration that recovered >100 mM ammonium fertilizer solution from agricultural runoff that contained 8.2 mM Nr. EDNR is the first reported process to our knowledge that remediates dilute real wastewater and recovers ammonia from multiple Nr pollutants, with an energy consumption (245 MJ per kg NH 3 –N in simulated wastewater, 920 MJ per kg NH 3 –N in agricultural runoff) on par with the state-of-the-art. Demonstrated first at proof-of-concept and engineered to technology readiness level (TRL) 4–5, EDNR shows great promise for distributed wastewater treatment and sustainable ammonia manufacturing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mitigating Voltage Instability in the Saudi Grid for a Decarbonized, Fully Solar Power System

Lately, solar photovoltaic (PV) has received significant interest due to its economic and environmental benefits. As the integration of renewable energy sources (RES) increases into existing power grids, challenges such as the decrease in short circuit ratio (SCR) are introduced. Here, this paper investigates a case study of the Saudi power grid, examining the voltage stability as the grid transitions from traditional power generation to 100% penetration of solar PV gradually. Moreover, the paper explores the relationship between the increase in solar penetration and the potential effects on the short circuit MVA (SCMVA), which could significantly impact the overall SCR of the system. To meet the North American Electric Reliability Corporation (NERC) recommendation of maintaining SCR at a particular level, synchronous condensers (SC)s were integrated into the grid. The effectiveness of utilizing SCs to maintain the system voltage at optimal levels in a fully solar grid is also considered. In addition, this paper covers the weak grid analysis via utilizing the Newton-Raphson load flow method, along with PV and QV curve analyses. The purpose behind that is to determine weak bus locations in need of voltage improvements, and to meet the amount of reactive power to be injected. Finally, the amount of power being delivered by SCs will be added progressively in three scenarios to show the enhancements on SCR more precisely.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Creation of Synthetic Electric Grids (SPP/MISO) Supporting PERFORM (Final Report)

Over the course of the project, two “realistic but not real” synthetic transmission-level grid models over the SPP-MISO and ERCOT footprints were created to provide more realistic data and increase the reliability and resiliency of the grids under a variety of scenarios. The synthetic ERCOT transmission grid is compatible with the distribution grid developed in collaboration with NREL. All generators are based on the EIA 860 data and a column with EIA plant code and Gen ID is added to generators of both grids so that they can be easily mapped. The improvements are also made to electric grids including N-1 contingencies with some remedial actions, improving the transmission lines to avoid lines in lakes, including an HVDC line to the SPP-MISO case, providing several generator parameters and their temporal constraints that were not included in EIA 860 form, generators’ cost curves, load offer curves, adding phase shifters and tap changers with impedance correction tables, adding reactive power control and partitioning the grids into active and reactive reserve zones and determine different types of the required reserve for each zone. Hourly load time series at the bus level were generated to create scenarios for solving power flow in different loading conditions. Weather measurement information and the models of renewable generators are used to directly include the impact of weather on the grids. Based on a variety of load and weather conditions the grids are improved to accommodate different conditions. The ERCOT 7k-bus grids were also modeled for the year 2030 with predicted improvements in renewable resources. The renewable generation model was also improved with historic weather data included. The impact of electric vehicles on the ERCOT grid is also modeled.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Advancements in NEAMS Tool Capabilities for Multiphysics Simulation of Fast Reactor Core Bowing and Identification of Validation Test Data

Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves Multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. This report summarizes recent progress on developing a multiphysics, MOOSE-based workflow to predict core bowing and associated reactivity feedback. Last year, thermal fluids and mechanics were coupled on a multi-assembly benchmark problem based on ABR-1000 design. This year, the reactor physics code Griffin was assessed for readiness of core bowing calculations. Preliminary integration of Griffin’s ring-heterogeneous model with thermal fluids and thermal mechanics solvers was performed. Specifically, thermal-mechanics and reactor physics were coupled for single- and multi-assembly problems, and reactor physics and subchannel methods were coupled for a single assembly model. Finally, the workflow of all three physics was preliminarily demonstrated on a single assembly model. Caveats and future development needed have been identified. To supplement the multiphysics demonstration, verification and assessment efforts of thermos-mechanical capabilities for modeling thermo-mechanical core bowing behavior were continued by analyzing IAEA Verification Problem 5 which includes radiation swelling and creep. Additionally, a small core reactor physics benchmark defined by Japan Atomic Energy Agency (JAEA) was performed to assess neutronics models for estimating reactivity feedback. Finally, Fast Flux Test Facility (FFTF) validation test data for core bowing phenomena has been identified and summarized, with a recommended path forward for validation once this capability is mature.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Verification and Validation Activities of Molten Salt Reactors Multiphysics Coupling Schemes at Idaho National Laboratory

This paper presents the latest verification and validation activities in molten salt reactor modeling and simulation performed at Idaho National Laboratory. Multiphysics solutions are obtained by coupling the neutronics code Griffin, the thermal hydraulics code Pronghorn, and the system analysis code SAM, under the MOOSE framework. We present various multiphysics coupling schemes with these codes for molten salt reactor problems and provide verification and validation results. First, we present verification test results of the Griffin-Pronghorn coupled scheme for the CNRS benchmark. Then validation test results are presented for the Griffin-SAM coupled scheme for the pump startup and coast down transients of the Molten Salt Reactor Experiment. Finally, the Griffin-Pronghorn-SAM coupled scheme is demonstrated for the Molten Salt Reactor Experiment reactivity insertion transient using a domain-overlapping coupling algorithm between Pronghorn and SAM. The results of these various coupling schemes demonstrate the ability to capture the effect of fuel flow and the various feedback mechanisms important to MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Propagating neutronic uncertainties for FFTF LOFWOS Test #13

The safety evaluation conducted for licensing a Sodium-cooled Fast Reactor (SFR) may require modeling transients with best-estimate calculation tools that must first be validated against real-world measurements. To provide the community with a valuable benchmarking opportunity for validating SFR analysis tools and methods, the International Atomic Energy Agency (IAEA) initiated a coordinated research project (CRP) in 2018 for the analysis of the Fast Flux Test Facility (FFTF) Loss of Flow Without Scram (LOFWOS) Test #13. The impact of nuclear data uncertainties on neutronics parameters was previously investigated based on the COMMARA-2.0 covariance matrix. Since the transient simulation results are very sensitive to certain reactivity coefficients, it was decided to employ rigorous uncertainty propagation methods to quantify the impact of nuclear data uncertainties on the best-estimate predication of FFTF LOFWOS Test #13. The DAKOTA code is used to propagate neutronic uncertainties through SAS4A/SASSYS-1 transient simulations, while taking into account spatial and reaction-wise correlations within these uncertainties. This study shows that the remaining discrepancies observed between the Argonne National Laboratory (ANL) best-estimate results and the experimental measurements can be partly explained by the uncertainty associated with Gas Expansion Module (GEM) worth, which contributes the majority of the overall nuclear data uncertainty on the output from the FFTF LOFWOS Test #13 transient simulation. This study also confirmed the importance of including spatial and reaction-wise correlations of nuclear data uncertainties on feedback coefficients in the uncertainty propagation to avoid under-estimating their impact during the transient simulations.

42 ENGINEERING↗

Characterization of ferredoxins involved in electron transfer pathways for nitrogen fixation implicates differences in electronic structure in tuning 2[4Fe 4S] Fd activity

Ferredoxins (Fds) are small proteins which shuttle electrons to pathways like biological nitrogen fixation. Physical properties tune the reactivity of Fds with different pathways, but knowledge on how these properties can be manipulated to engineer new electron transfer pathways is lacking. Recently, we showed that an evolved strain of Rhodopseudomonas palustris uses a new electron transfer pathway for nitrogen fixation. This pathway involves a variant of the primary Fd of nitrogen fixation in R. palustris, Fer1, in which threonine at position 11 is substituted for isoleucine (Fer1 T11I ). To understand why this substitution in Fer1 enables more efficient electron transfer, we used in vivo and in vitro methods to characterize Fer1 and Fer1 T11I . Electrochemical characterization revealed both Fer1 and Fer1 T11I have similar redox transitions (–480 mV and – 550 mV), indicating the reduction potential was unaffected despite the proximity of T11 to an iron-sulfur (Fe—S) cluster of Fer1. Additionally, disruption of hydrogen bonding around an Fe—S cluster in Fer1 by substituting threonine with alanine (T11A) or valine (T11V) did not increase nitrogenase activity, indicating that disruption of hydrogen bonding does not explain the difference in activity observed for Fer1 T11I . Electron paramagnetic resonance spectroscopy studies revealed key differences in the electronic structure of Fer1 and Fer1 T11I , which indicate changes to the high spin states and/or spin-spin coupling between the Fe—S clusters of Fer1. Finally, our data implicates these electronic structure differences in facilitating electron flow and sets a foundation for further investigations to understand the connection between these properties and intermolecular electron transfer.

59 BASIC BIOLOGICAL SCIENCES↗

Respiration regimes in rivers: Partitioning source–specific respiration from metabolism time series

Respiration in streams is controlled by the timing, magnitude, and quality of organic matter (OM) inputs from internal primary production and external fluxes. Here, we estimated the contribution of different OM sources to seasonal, annual, and event-driven characteristics of whole-stream ecosystem respiration (ER) using an inverse modeling framework that accounts for possible time-lags between OM inputs and respiration. We modeled site-specific, dynamic OM stocks contributing to ER: autochthonous OM from gross primary production (GPP); allochthonous OM delivered during flow events; and seasonal pulses of leaf litter. OM stored in the sediment and dissolved organic matter (DOM) transported during baseflow were modeled as a stable stock contributing to baseline respiration. We applied this modeling framework to five streams with different catchment size, climate, and canopy cover, where multi-year time series of ER and environmental variables were available. Overall, the model explained between 53% and 74% of observed ER dynamics. Respiration of autochthonous OM tracked seasonal peaks in GPP in spring or summer. Increases in ER were often associated with high-flow events. Respiration associated with litter inputs was larger in smaller streams. Time lags between leaf inputs and respiration were longer than for other OM sources, likely due to lower biological reactivity. Model estimates of source-specific ER and OM stocks compared well with existing measures of OM stocks, inputs, and respiration or decomposition. Our modeling approach has the potential to expand the scale of comparative analyses of OM dynamics within and among freshwater ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗

RELAP5-3D modelling of the HTTR-GT/H 2 secondary system and turbomachinery

High Temperature Gas-cooled Reactors (HTGRs) can be used for the cogeneration of electricity and hydrogen. The JAEA-operated High-Temperature engineering Test Reactor (HTTR-GT/H 2 ) is exploring using the reactor for electricity and hydrogen production. Here, a RELAP5-3D model of the HTTR-GT/H 2 secondary system has been developed using design information. The various components and heat exchangers in the secondary system were investigated, modified, and improved where applicable. With these changes made, the model was run, and the results were compared to the design conditions. The results for the sole-power generation mode were shown to fit the design conditions very well. The largest temperature difference was on the order of 7 K, and the largest pressure difference was on the order of 0.05 MPa. The results for the hydrogen cogeneration mode did not fit the design conditions as well as the other case. The largest temperature difference was about 39 K and the largest pressure difference was about 0.27 MPa at the compressor outlet. The larger differences for the hydrogen cogeneration mode are attributed to the various complex components and the flow being split in the secondary loop. A transient reduction in heat removal capability of the secondary system was investigated. Reactor temperatures were predicted to rise as a result. The core reactivity response due to this increase in temperature is investigated and is expected to add negative reactivity to the reactor.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The influence of particle size on the fluid dynamics of a laser-induced plasma

The interaction of a laser-induced shock wave with nanoparticles and microparticles of aluminum oxide is investigated through experiments and modeling. The chemistry and physics of the interaction between the particles and plasma generated from laser ablation shows similarities and discrete differences for the two particle sizes. For both particle sizes, early stage (< 10 μs) ionization was dominant and evidenced by higher concentrations of Al II. While both sizes exhibit ionization over the same duration, the intensity of emission was greater for nanoparticles indicating greater concentrations of ionized species. Moreover, the dispersion of species was notably more elongated for microparticles while radial dispersion was more pronounced for nanoparticles with elevated drag forces. At later stages (i.e., > 10 μs), oxidation reactions were dominant for both particle sizes, but the same distinctions in flow field were observed and attributed to particle drag. In all stages of interaction, microparticles expand axially with less drag that suppresses their radial expansion. As a result, the dispersion of reactive species was mapped over an up to 80% larger area for nanoparticles relative to microparticles. Results shown here can be applied toward advancing experimental diagnostics and particle-shock wave modeling and simulation efforts for energetic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Lessons Learned from the Construction of Upgrades to the NASA Glenn Icing Research Tunnel and Re-activation Testing

Major upgrades were made in 1999 to the 6- by 9-Foot (1.8- by 2.7-m) Icing Research Tunnel (IRT) at the NASA Glenn Research Center. These included replacement of the electronic controls for the variable-speed drive motor, replacement of the heat exchanger, complete replacement and enlargement of the leg of the tunnel containing the new heat-exchanger, the addition of flow-expanding and flow-contracting turning vanes upstream and downstream of the heat exchanger, respectively, and the addition of fan outlet guide vanes (OGV's). This paper presents an overview of the construction and reactivation testing phases of the project. Important lessons learned during the technical and contract management work are documented.

Sheldon, David W.↗

Aerospace Applications of Non-Equilibrium Plasma

Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).

Nonequilibrium Plasma↗

System Modeling of the HTTR and Economic Dispatch Model of the Secondary System

High Temperature Gas-cooled Reactors (HTGRs) can be used for the generation of electricity and their process heat can be used to improve the efficiency of chemical processes such as hydrogen production. The JAEA-operated High-Temperature engineering Test Reactor (HTTR-GT/H2) is exploring using the reactor for electricity and hydrogen production. A RELAP5-3D model of the HTTR-GT/H2 secondary system has been developed using design information. The various components and heat exchangers in the secondary system were modeled and results were compared to the design conditions. The results for the sole-power generation mode were shown to fit the design conditions very well. The largest temperature difference was on the order of 7 K, and the largest pressure difference was on the order of 0.05 MPa. The results for the hydrogen cogeneration mode did not match the design conditions nearly as well. The largest temperature difference was about 39 K and the largest pressure difference was about 0.27 MPa at the compressor outlet. The larger differences for the hydrogen cogeneration mode are attributed to the various complex components and the flow being split in the secondary loop. A transient reduction in heat removal capability of the secondary system was investigated. Reactor temperatures are anticipated to rise as a result. The core reactivity response due to this increase in temperature is investigated and is expected to add negative reactivity to the reactor. An economic dispatch model was developed for a nuclear-driven iodine-sulfur cycle system to determine hydrogen sale prices that would make such a system profitable. The study focuses on the development of the economic model and the role that input data plays on final calculated values. It was found that the input electricity prices, whether using historical data or a host of synthetic time histories, produce significantly different breakeven hydrogen sale prices. As such, great care should be used in these economic dispatch analyses to select reasonable input assumptions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Advancing a Watershed Hydro-Biogeochemical Theory: Linking Water Travel Time and Reaction Rates Under Changing Climate

The major goal of the project is to answer the question how and to what degree does a warming climate alter hydrological functioning and (biogeochemical and chemical weathering) reaction rates at the watershed scale? In particular, how does hydrological functioning (water storage, flow paths, and travel time) change responding to a warming climate? What are the corresponding alterations in biogeochemical and chemical weathering rates at the watershed scale? What is the general watershed-scale reaction rate law that causally links reaction rates to metrics of hydrological functioning that are determined by external hydroclimatic conditions and internal watershed structure characteristics? To answer these questions, we have used field measurements and reactive transport modeling. We have found that: 1) stream chemistry has altered tremendously in warmer years; 2) In this water-limited environment, hydrology is the dominant driver for soil respiration and carbon lateral export at the watershed scale; 3) deeper carbon respiration plays an essential role in regulating the patterns of stream carbon in low and high flow conditions, and deeper groundwater will become increasingly important as warming intensifies. This indicates in mountain streams, a warming climate will modify not only the timing and magnitude of streamflow as expected, but also the chemistry and quality of stream water.

54 ENVIRONMENTAL SCIENCES↗

The importance of ion kinetic energy for interference removal in ICP-MS/MS

Here, the effect of ion kinetic energy on gas phase ion reactivity with ICP-MS/MS was investigated in order to explore tuning strategies for interference removal. The collision/reaction gases CO 2 , N 2 O and O 2 were used to observe the ion product distribution for 48 elements using an Agilent tandem ICP-MS (ICP-MS/MS) as a function of reaction gas flow rate (pressure) and ion kinetic energy. The kinetic energy of the incident ion was varied by adjusting the octopole bias (V oct ). The three gases all form oxides (MO + ) as the primary product with differing reaction enthalpies that result in distinct differences in the ion energies required for reaction with product ion distributions that vary with Voct. Consequently, by varying the ion kinetic energy (i.e., V oct ), differences in interference reactivity can be used to achieve maximum separation. Three practical application examples were reported to demonstrate how the ion kinetic energy can be varied to achieve the ideal ion product distribution for interference resolution: CO 2 for the removal of 238 U in Pu analyses, CO 2 for the removal of 40 Ar 16 O vs. 56 Fe, and O 2 for the removal of Sm in Eu analyses, analogous to Pu/Am. The results demonstrate how the starting ion energy defined by V oct is an important factor to fully leverage the utility of any given reaction gas to remove interferences in the mass spectrum using ICP-MS/MS.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Effects of flow on uranium speciation in soils impacted by acidic waste fluids

Radioactive acidic liquid waste is a common byproduct of uranium (U) and plutonium (Pu) enrichment and recycling processes whose accidental and planned release has led to a significant input of U into soils and sediments across the world, including at the U.S. DOE's Hanford site (WA, USA). Because of the particularly hazardous nature of U, it is important to predict its speciation when introduced into soils and sediments by acidic waste fluids. Of fundamental importance are the coupled effects of acid-driven mineral transformation and reactive transport on U speciation. To evaluate the effect of waste-fluid residence time and co-associated dissolved phosphate concentrations on U speciation in impacted soils and sediments, uncontaminated surface materials (from the Hanford Site) were reacted with U-containing synthetic acidic waste fluids (pH 2) amended with dissolved phosphate concentrations in both batch (no flow) and flow-through column systems for 7–365 days. By comparing dissolved U behavior and solid phase speciation as a function of flow regimen, we found that the availability of proton-promoted dissolution products (such as Si) to sequester U into uranyl silicates was dependent on waste fluid-sediment contact time as uranyl silicates were not detected in short contact time flow-through systems but were detected in no-flow, long contact time, reactors. Moreover, the dominance of uranyl phosphate as neoprecipitate U scavenger (principally in the form of meta-ankoleite) in phosphate amended systems confirmed the importance of phosphate amendments for an efficient sequestration of U in the soils and sediments. Overall, our experiments suggest that the formation of uranyl silicates in soils impacted by acidic waste fluids is likely to be limited unless reaction products are allowed to accumulate in soil pores, highlighting the importance of investigating soil U speciation in flow-through, transport-driven systems as opposed to no-flow, batch systems. Finally, this study provides insights into uranium speciation and its potential changes under acidic conditions for better prediction of risks and subsequent development of efficient remediation strategies.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Three-dimensional calculation of the mixing of radial jets from slanted slots with a reactive cylindrical crossflow

A numerical model that calculates the 3D chemically reacting flowfield in an experimental low emission combustor is described. The ICEd-ALE finite volume computational methodology is employed in this study. Radial jets issuing from slanted slots interact with a cylindrical axially flowing mainstream to produce a bulk swirl velocity downstream of the slot region. The swirl pattern at a given axial station is composed of a clockwise rotating region near the wall and a counterclockwise rotating region extending from the combustor centerline. The jet radial penetration and downstream swirl velocity axial development are shown to depend principally on the jet-to-mainstream momentum flux ratio.

Winowich, N. S.↗