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At least 433 records · Page 24

Deep Eutectic Salt Formulations Suitable as Advanced Heat Transfer Fluids

Concentrating solar power (CSP) facilities are comprised of many miles of fluid-filled pipes arranged in large grids with reflective mirrors used to capture radiation from the sun. Solar radiation heats the fluid which is used to produce steam necessary to power large electricity generation turbines. Currently, organic, oil-based fluid in the pipes has a maximum temperature threshold of 400 °C, allowing for the production of electricity at approximately 15 cents per kilowatt hour. The DOE hopes to foster the development of an advanced heat transfer fluid that can operate within higher temperature ranges. The new heat transfer fluid, when used with other advanced technologies, could significantly decrease solar electricity cost. Lower costs would make solar thermal electricity competitive with gas and coal and would offer a clean, renewable source of energy. Molten salts exhibit many desirable heat transfer qualities within the range of the project objectives. Halotechnics developed advanced heat transfer fluids (HTFs) for application in solar thermal power generation. This project focused on complex mixtures of inorganic salts that exhibited a high thermal stability, a low melting point, and other favorable characteristics. A high-throughput combinatorial research and development program was conducted in order to achieve the project objective. Over 19,000 candidate formulations were screened. The workflow developed to screen various chemical systems to discover salt formulations led to mixtures suitable for use as HTFs in both parabolic trough and heliostat CSP plants. Furthermore, salt mixtures which will not interfere with fertilizer based nitrates were discovered. In addition for use in CSP, the discovered salt mixtures can be applied to electricity storage, heat treatment of alloys and other industrial processes.

25 ENERGY STORAGE↗

Development and Benchmarking of a Hybrid PIC Code For Dense Plasmas and Fast Ignition (Final Report)

Radiation processes play an important role in the study of both fast ignition and other inertial confinement schemes, such as plasma jet driven magneto-inertial fusion, both in their effect on energy balance, and in generating diagnostic signals. In the latter case, warm and hot dense matter may be produced by the convergence of a plasma shell formed by the merging of an assembly of high Mach number plasma jets. This innovative approach has the potential advantage of creating matter of high energy densities in voluminous amount compared with high power lasers or particle beams. An important application of this technology is as a plasma liner for the flux compression of magnetized plasma to create ultra-high magnetic fields and burning plasmas. HyperV Technologies Corp. has been developing plasma jet accelerator technology in both coaxial and linear railgun geometries to produce plasma jets of sufficient mass, density, and velocity to create such imploding plasma liners. An enabling tool for the development of this technology is the ability to model the plasma dynamics, not only in the accelerators themselves, but also in the resulting magnetized target plasma and within the merging/interacting plasma jets during transport to the target. Welch pioneered numerical modeling of such plasmas (including for fast ignition) using the LSP simulation code. Lsp is an electromagnetic, parallelized, plasma simulation code under development since 1995. It has a number of innovative features making it uniquely suitable for modeling high energy density plasmas including a hybrid fluid model for electrons that allows electrons in dense plasmas to be modeled with a kinetic or fluid treatment as appropriate. In addition to in-house use at Voss Scientific, several groups carrying out research in Fast Ignition (LLNL, SNL, UCSD, AWE (UK), and Imperial College (UK)) also use LSP. A collaborative team consisting of HyperV Technologies Corp., Voss Scientific LLC, FAR-TECH, Inc., Prism Computational Sciences, Inc. and Advanced Energy Systems Inc. joined efforts to develop new physics and numerical models for LSP in several key areas to enhance the ability of LSP to model high energy density plasmas (HEDP). This final report details those efforts. Areas addressed in this research effort include: adding radiation transport to LSP, first in 2D and then fully 3D, extending the EMHD model to 3D, implementing more advanced radiation and electrode plasma boundary conditions, and installing more efficient implicit numerical algorithms to speed complex 2-D and 3-D computations. The new capabilities allow modeling of the dominant processes in high energy density plasmas, and further assist the development and optimization of plasma jet accelerators, with particular attention to MHD instabilities and plasma/wall interaction (based on physical models for ion drag friction and ablation/erosion of the electrodes). In the first funding cycle we implemented a solver for the radiation diffusion equation. To solve this equation in 2-D, we used finite-differencing and applied the parallelized sparse-matrix solvers in the PETSc library (Argonne National Laboratory) to the resulting system of equations. A database of the necessary coefficients for materials of interest was assembled using the PROPACEOS and ATBASE codes from Prism. The model was benchmarked against Prism's 1-D radiation hydrodynamics code HELIOS, and against experimental data obtained from HyperV's separately funded plasma jet accelerator development program. Work in the second funding cycle focused on extending the radiation diffusion model to full 3-D, continued development of the EMHD model, optimizing the direct-implicit model to speed up calculations, add in multiply ionized atoms, and improved the way boundary conditions are handled in LSP. These new LSP capabilities were then used, along with analytic calculations and Mach2 runs, to investigate plasma jet merging, plasma detachment and transport, restrike and advanced jet accelerator design. In addition, a strong linkage to diagnostic measurements was made by modeling plasma jet experiments on PLX to support benchmarking of the code. A large number of upgrades and improvements advancing hybrid PIC algorithms were implemented in LSP during the second funding cycle. These include development of fully 3D radiation transport algorithms, new boundary conditions for plasma-electrode interactions, and a charge conserving equation of state that permits multiply ionized high-Z ions. The final funding cycle focused on 1) mitigating the effects of a slow-growing grid instability which is most pronounced in plasma jet frame expansion problems using the two-fluid Eulerian remap algorithm, 2) extension of the Eulerian Smoothing Algorithm to allow EOS/Radiation modeling, 3) simulations of collisionless shocks formed by jet merging, 4) simulations of merging jets using high-Z gases, 5) generation of PROPACEOS EOS/Opacity databases, 6) simulations of plasma jet transport experiments, 7) simulations of plasma jet penetration through transverse magnetic fields, and 8) GPU PIC code development. The tools developed during this project are applicable not only to the study of plasma jets, but also to a wide variety of HEDP plasmas of interest to DOE, including plasmas created in short-pulse laser experiments performed to study fast ignition concepts for inertial confinement fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Summary report for the FY-2015 SACSESS Collaboration

During FY-2015, a collaborative research program was established by the Department of Energy-Nuclear Energy (DOE-NE) Material Recovery and Waste Form Development program and the European Union (EU) Safety of Actinide Separation Processes (SACSESS) program. One component of this collaboration was the evaluation of the radiolytic stability of a Selective ActiNide Extraction (SANEX) separation which utilized a TODGA-based organic solvent and an aqueous phase containing the hydrophilic complexing reagent, SO3-Ph-BTP. To best simulate process conditions, this experiment was irradiated in the radiolysis/hydrolysis test loop located at the Idaho National Laboratory. The effect of irradiation on a SACSESS program iSANEX formulation containing a TODGA-based organic phase and a BTP-based aqueous phase was investigated using irradiations at INL in static and test loop modes. When irradiated in contact with only the acidic aqueous phase, the TODGA organic solution maintained excellent extraction performance of americium, cerium and europium to a maximum absorbed dose of nearly 0.9 MGy. When the aqueous phase was changed to that containing the aqueous soluble BTP, the irradiated aqueous phase showed a dramatic color change, but this does not appear to have adverse effects on solvent extraction performance. Only minor increases in distribution ratios for both the lanthanides and actinide were measured, and the separation factors were essentially unchanged to a maximum absorbed dose of 174 kGy. The determination of the americium, cerium, and europium distribution ratios for the remaining SACSESS test loop samples will be completed in the near future. The analysis of stable metals concentration in the the irradiated aqueous and organic phases will be completed shortly.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Graphite Sessions 1-3

International Research & Development Programs Who is doing what in graphite throughout the world Nuclear graphite components Why is graphite so difficult to develop code rules? Unique features of nuclear grade graphite No nuclear graphite standard Brittle material in a pressure vessel code? General graphite behavior and degradation As-fabricated material properties Irradiation behavior Oxidation behavior Molten salt issues

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Marine Corps Base Camp Lejeune New River Estuary - Acoustic Doppler Current Profiler (ADCP) Results

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of development pressures in surrounding areas, impairments due to other anthropogenic disturbances, and increasing requirements for compliance with environmental regulations. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and to optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a minimum 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the first six years of the program (DCERP1) are presented here.The overarching objectives of DCERP are to: (1) understand the effects of military training activities, infrastructure development, and other coastal military installations; (2) develop models, tools, and indicators to evaluate ecosystem health; and (3) recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.This data package contains a zipfile of results from Acoustic Doppler Current Profilers (ADCPs) used to collect current profiles throughout the New River Estuary in 2009: Teledyne RD Instrument’s acoustic Doppler current profilers (ADCPs) were deployed throughout the NRE to understand current flows and tidal extent. (Current velocity and water level data collected by the ADCPs were also used to validate a hydrodynamic model of the NRE.) Two ADCPS were deployed by Marker 12 and the Highway 172 bridge from late-February to early-July 2009. These ADCPs were attached to steel frames that rested on the sediment surface with the ADCP looking upward to make full water column profiles of water velocity minus a 1-m blanking between the instrument and sediment surface. Also attached to the steel frames were conductivity-temperature-depth (CTD) sensors, which provided concomitant salinity, temperature, and water depth data with the ADCP current measurements. Two ADCPS were also deployed in close proximity to the AVPs in Stones and Morgan Bays from mid-July to mid-December 2009. These ADCPs were deployed flush to the estuary floor to maximize the full vertical sampling capability at these shallow stations and the AVPs collected coincidental temperature, salinity, and depth measurements. For all deployments, the ADCPs were programmed in fast ping-rate mode 12 using 20 pings per ensemble and collected profiles in 10-cm bins every 6 minutes yielding a standard deviation in velocity measurements of 1.27 cm s-1. Current velocity and water level data were analyzed to understand the tidal influence on circulation within the NRE. Harmonic analyses were performed to extract the dominant tidal constituents from the velocity and depth records using T-tide run in MATLAB (Pawlowicz et al., 2002). These measurements of tidal amplitude and phase were then used to validate the high-resolution Advanced Circulation (ADCIRC) Model of the NRE region.

54 ENVIRONMENTAL SCIENCES↗

The Workforce Readiness Index: A Local and Regional Assessment Tool for Energy Sector Preparedness

Building up a workforce that is properly trained and adequately sized is essential to ensuring that the deployment of energy generation sources in the United States meets future energy demand. Workforce development to support supply chain or large infrastructure investments typically occurs at a local level. However, there is a critical gap in understanding where and to what extent regional workforces are equipped to meet the needs of an energy industry. The Workforce Readiness Index ("the index") was developed to assess and compare energy sector workforce readiness across the United States at the county level to provide granular information to various stakeholders such as industry members, state decision makers, and training program developers. Workforce readiness is defined as the ability to recruit from the general labor market, transition workers with comparable skill sets, and train a workforce using scalable or existing training programs near a specific location. Therefore, the index evaluates readiness levels based on the likelihood that a county possesses the workforce development infrastructure needed to support the occupations required by an energy-related industry or sector. Furthermore, the index offers a standardized yet flexible approach that captures regional variations and highlights local strengths and challenges.

17 WIND ENERGY↗

Marine Corps Base Camp Lejeune Air Emission Factors Data

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of development pressures in surrounding areas, impairments due to other anthropogenic disturbances, and increasing requirements for compliance with environmental regulations. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and to optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a minimum 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the first six years of the program (DCERP1) are presented here.The overarching objectives of DCERP are to: (1) understand the effects of military training activities, infrastructure development, and other coastal military installations; (2) develop models, tools, and indicators to evaluate ecosystem health; and (3) recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.Spreadsheet file with two sheets, one with excess mixing ratios and concentrations of gaseous and particulate (PM2.5) pollutant species measured in prescribed burning (PB) plumes, the other with the emission factors (EF) calculated from the former assuming that a) the fuel-carbon content by mass is 42.6 % and b) all fuel-C species produced and emitted during PB had been captured by our measurements. PB experiments were conducted in five different test plots (RB, HA, MF, IEn, IEs), spanning the moisture gradient from semi-mesic loblolly pine forest to wet-mesic loblolly-longleaf pine forest to pond pine pocosin. Each plot contained mechanically treated, hydro-axed fuel in a 100 x 100 m (1 ha) area, whose emissions were compared to those from the surrounding untreated control fuel. The majority of these data were added to MARDIS, but the entire file is provided here for ease of use.

54 ENVIRONMENTAL SCIENCES↗

Marine Corps Base Camp Lejeune Intracoastal Waterway Shoreline Characterization

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of development pressures in surrounding areas, impairments due to other anthropogenic disturbances, and increasing requirements for compliance with environmental regulations. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and to optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a minimum 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the first six years of the program (DCERP1) are presented here.The overarching objectives of DCERP are to: (1) understand the effects of military training activities, infrastructure development, and other coastal military installations; (2) develop models, tools, and indicators to evaluate ecosystem health; and (3) recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.Shoreline characterization of the Intracoastal waterway within the foundries of Marine Corps Base Camp Lejeune. Data was collected by ground truth methods and included boat operations. The shoreline of the ICW was characterized by boat in April and June 2010 using Global Positioning Systems (GPS) equipment and ArcGIS software. The previously digitized 2009 shoreline was edited within ArcGIS, using GPS equipment to obtain the position of the boat relative to the shoreline. Four fields were created for the shoreline shapefile, including: shoreline type, vegetation/species, modification type and relief. A unique identifying code was created by concatenating the field values of the four fields. in January 2013 the field Veg_2 was created for the output of SLtype and Vegtype codeing.

54 ENVIRONMENTAL SCIENCES↗

Marine Corps Base Camp Lejeune Onslow Bay Seismic Sub-bottom

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of development pressures in surrounding areas, impairments due to other anthropogenic disturbances, and increasing requirements for compliance with environmental regulations. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and to optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a minimum 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the first six years of the program (DCERP1) are presented here.The overarching objectives of DCERP are to: (1) understand the effects of military training activities, infrastructure development, and other coastal military installations; (2) develop models, tools, and indicators to evaluate ecosystem health; and (3) recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.This data package includes seismic sub-bottom profile data are from the shallow (-2 to -11.5m, NAVD88) nearshore region of Onslow Beach. Data were collected in 2007 using a high-resolution Edgetech Chirp 512i (average resolution of 10-20cm). The position of each data point was related to NAD83 using RTK-GPS. Data were collected at a frequency range of 0.5-8 kHz. Heave is apparent in the seismic profiles because no swell filter was applied during acquisition or post-processing. Post-processing was performed using Chesapeake Technology SonarWiz MAP5. Georeferenced .sd files (datums: UTM, Zone 18N, meters & NAVD88, meters) were generated using IVS Fledermaus Pro ver. 7.

54 ENVIRONMENTAL SCIENCES↗

Marine Corps Base Camp Lejeune New River estuary wave height

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of development pressures in surrounding areas, impairments due to other anthropogenic disturbances, and increasing requirements for compliance with environmental regulations. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and to optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a minimum 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the first six years of the program (DCERP1) are presented here.The overarching objectives of DCERP are to: (1) understand the effects of military training activities, infrastructure development, and other coastal military installations; (2) develop models, tools, and indicators to evaluate ecosystem health; and (3) recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.This data package contains a shapefile of the New river estuary wave height, wave energy, and bottom shear stress for three year average conditions for top 5% wind events observed.

54 ENVIRONMENTAL SCIENCES↗

Marine Corps Base Camp Lejeune New River Estuary Shoreline Characterization

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of development pressures in surrounding areas, impairments due to other anthropogenic disturbances, and increasing requirements for compliance with environmental regulations. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and to optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a minimum 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the first six years of the program (DCERP1) are presented here.The overarching objectives of DCERP are to: (1) understand the effects of military training activities, infrastructure development, and other coastal military installations; (2) develop models, tools, and indicators to evaluate ecosystem health; and (3) recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.This shapefile consists of the 2004 shoreline that was edited in the field in order to characterize the shoreline. The data was edited within ArcGIS, using GPS equipment to obtain the position of the boat relative to the shoreline. Fields were created for the shapefile including, Shoreline type, vegetation/species type, shoreline modification type, and relief. A unique identification code was created by concatenating the four field values of the four fields. A new field Veg_2 was added in January 2013 to code the vegetation and shoreline type.

54 ENVIRONMENTAL SCIENCES↗

Marine Corps Base Camp Lejeune New River Estuary Marsh Area (2010)

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of development pressures in surrounding areas, impairments due to other anthropogenic disturbances, and increasing requirements for compliance with environmental regulations. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and to optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a minimum 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the first six years of the program (DCERP1) are presented here.The overarching objectives of DCERP are to: (1) understand the effects of military training activities, infrastructure development, and other coastal military installations; (2) develop models, tools, and indicators to evaluate ecosystem health; and (3) recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.This shapefile data consist of merged data using ArcGIS 10.0. The output shapefile covers the marsh area data from two files; NRE_marsh_2009, and ICW_marsh_2012_extended. The base maps were digitized from 1989, 2004 and 2009 imagery. The output data consist of polygons with header descriptions. These polygons were used to estimate marsh area present aboard Marine Carps Base Camp Lejeune.

54 ENVIRONMENTAL SCIENCES↗

A Review of Underground Coal Gasification Field Tests Sponsored by the U.S. Department of Energy

The United States Department of Energy (DOE)and its predecessors funded and managed an Underground Coal Gasification (UCG) research and development program during the 1970’s and 1980’s. The centerpiece was a series of UCG field tests run by several major institutions over two decades. This field-test program provided the main players who ran these tests the time and continuity to move up the learning curve and develop experience, knowledge, understanding, capabilities, and improved technologies.

01 COAL, LIGNITE, AND PEAT↗

Programmable Nanocomposite Membranes for Ion-Based Electrical Energy Storage

This report describes a new, bio-inspired approach to electrical energy storage, based on the generation, maintenance, and discharge of ion concentration gradients. This approach was investigated as part of a Laboratory Directed Research and Development program at Sandia National Laboratories in Albuquerque, NM between October 2012 and September 2015. In particular, this report describes the development of ion-selective nanoporous membranes, controlled through pore morphology and Sandia-developed electrochemical functionalization. In addition, it describes a potential avenue to functionalize synthetic polymer membranes in a way that facilitates oriented ion pump binding to polymer surfaces. Finally, it highlights a number of new computational findings central to the understanding and ultimate design of synthetic ion channels and ion gates needed for biomimetic ion-based electrochemical energy storage.

25 ENERGY STORAGE↗

White Paper on Leading-Edge technology And Feasibility-directed (LEAF) Program aimed at readiness demonstration for Energy Frontier Circular Colliders (pp, μμ) by the next decade

In this White Paper for the Snowmass 2021 Process, we propose the establishment of a magnet Leading-Edge technology And Feasibility-directed Program (LEAF Program) to achieve readiness for a future collider decision on the timescale of the next decade. The LEAF Program would rely on, and be synergetic with, generic R&D efforts presently covered - in the US - by the Magnet Development Program (MDP), the Conductor Procurement and R&D (CPRD) Program and other activities in the Office of HEP supported by Early Career Awards (ECA) or Lab Directed R&D (LDRD) funds. Where possible, ties to synergetic efforts in other Offices of DOE or NSF are highlighted and suggested as wider Collaborative efforts on the National scale. International efforts are also mentioned as potential partners in the LEAF Program. We envision the LEAF Program to concentrate on demonstrating the feasibility of magnets for muon colliders as well as next generation high energy hadron colliders, pursuing, where necessary and warranted by the nature of the application, the transition from R&D models to long models/prototypes. The LEAF Program will naturally drive accelerator-quality and experiment-interface design considerations. LEAF will also concentrate, where necessary, on cost reduction and/or industrialization steps.

43 PARTICLE ACCELERATORS↗

Water Splitting by Thin Film Metal-Oxo Catalysts

The dropping price of silicon photovoltaics in the United States is causing load defection to solar supply at an accelerated pace. This conversion to solar and, more generally, other renewable energy sources has accordingly turned the energy research focus from generation to one of storage. Truly disruptive improvements in energy storage technologies are limited by energy density. This limitation, however, does not apply to fuels, which possess the energy density needed for large-scale energy storage. The first step of the basic science needed to drive such historic restructuring of the U.S. energy infrastructure begins with the solar-driven generation of hydrogen and oxygen from water. The solar-produced hydrogen may then be combined with carbon dioxide to deliver any number of fuels. Obviously, light does not directly act on water to engender its splitting into its elemental components. Hence, catalysts are needed to drive the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). Of these two reactions, the four-electron, four-proton oxidation of OER is the more kinetically challenging reaction, and therefore the development of energy efficient solar fuels processes demands that OER be accomplished at a minimal overpotential. The research completed in this program developed catalysts that drive OER and at the same time meet the important criteria of (1) using non-critical materials that (2) are easy to assemble and (3) accomplish OER under simple conditions. Research was designed to uncover the chemical principles that underlie the self-assembly of metal oxide oxygen evolving catalysts (M-OEC) from the metals of M = Mn, Co, and Ni. For example, a dogma of heterogeneous catalysis of any sort is that “edges” matter in promoting catalytic transformations. We provided a rationale for such dogma by showing that the OER in Co-OEC occurred at a dimensionally reduced dicobalt edge site. Edge site reactivity was clearly revealed analyzing 18O labeled OER with differential electrochemical mass spectrometry (DEMS) of Co-OEC. The OER mechanism of M-OECs was examined with complementary studies of model dicobalt compounds that captured the critical steps of the OER reaction. Additionally, the role of activating M-OECS with metal ion dopants was defined by developing structure–function relationships, guided by the principles of inorganic chemistry. We found that the M(IV) oxidation state in oxidic OER frameworks was correlated to the presence of the dopant metal, as assessed by coulometric titration and ICP-MS analysis. To investigate why greater M(IV) valence is beneficial to greater catalytic OER activity, we probed the influence of formal M valence on the electronic structure of oxygen ions in M-OECs by undertaking O and Ni K-edge spectroscopy, which revealed greater M-O covalency and hence M-oxyl radical character with M(IV) formation. Such oxyl radical character is consistent with increasing evidence for the role of oxygen radicals in O–O bond formation by a proton-coupled electron transfer mechanism involving water, to generate a hydroperoxide intermediate from which oxygen is generate. In accomplishing this science, the DOE program leveraged its expertise in spectroscopy and structural methods, inorganic and materials synthesis, and electrochemical characterization. The knowledge garnered from this proposed program enables the design of next generation catalysts with improved OER kinetics that operate over a wide range of conditions and environments.

25 ENERGY STORAGE↗

A Novel Framework for Optimizing Ramping Capability of Hybrid Energy Storage Systems

Hybrid Energy Storage System has been widely applied in aerospace, electric vehicle, and microgrid applications. The advantages are that they include complimentary technologies with both high power and energy capabilities. HESS have the potential to be useful to the bulk power systems, for example to increase the value of energy produced by variable generation resource through enabling participation in ancillary service markets. Actualizing the benefits of HESSs requires optimizing the combined ramping capability of aggregated HESS resources. To provide quality ancillary service, source of HESSs locating at multiple sites of variable generation resource must be optimally sized and cohesively controlled. Optimizing aggregated resources can be formulated as an optimization problem. Successfully solving this problem not only requires using effective solution methods but also depends on accurately and rapidly setting the necessary parameters in the problem formula. This article proposes a novel framework with double-layer structure to solve the optimization problem of aggregating ramping capability. Program developed on the upper layer focuses on solving the optimization of aggregating ramping capability among multiple HESSs and is compatible with most existing optimization algorithms. Program on lower layer of the framework targets at optimizing the local control of a single HESS based on a thorough analytics of HESS operation strategy presented in this article. Result of local optimization is also provided to upper layer program for updating the parameters in formula of optimization problem. Real time hardware-in-the-loop test is conducted to verify the performance of the optimization framework developed. The work presented is expected to provide guidance for implementing this framework in practical operation.

Luo, Yushen↗