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At least 667 records · Page 37

Fine-Water-Mist Multiple-Orientation-Discharge Fire Extinguisher

A fine-water-mist fire-suppression device has been designed so that it can be discharged uniformly in any orientation via a high-pressure gas propellant. Standard fire extinguishers used while slightly tilted or on their side will not discharge all of their contents. Thanks to the new design, this extinguisher can be used in multiple environments such as aboard low-gravity spacecraft, airplanes, and aboard vehicles that may become overturned prior to or during a fire emergency. Research in recent years has shown that fine water mist can be an effective alternative to Halons now banned from manufacture. Currently, NASA uses carbon dioxide for fire suppression on the International Space Station (ISS) and Halon chemical extinguishers on the space shuttle. While each of these agents is effective, they have drawbacks. The toxicity of carbon dioxide requires that the crew don breathing apparatus when the extinguishers are deployed on the ISS, and Halon use in future spacecraft has been eliminated because of international protocols on substances that destroy atmospheric ozone. A major advantage to the new system on occupied spacecraft is that the discharged system is locally rechargeable. Since the only fluids used are water and nitrogen, the system can be recharged from stores of both carried aboard the ISS or spacecraft. The only support requirement would be a pump to fill the water and a compressor to pressurize the nitrogen propellant gas. This system uses a gaseous agent to pressurize the storage container as well as to assist in the generation of the fine water mist. The portable fire extinguisher hardware works like a standard fire extinguisher with a single storage container for the agents (water and nitrogen), a control valve assembly for manual actuation, and a discharge nozzle. The design implemented in the proof-of-concept experiment successfully extinguished both open fires and fires in baffled enclosures.

Butz, James R.↗

Microgravity condensing heat exchanger

A heat exchanger having a plurality of heat exchanging aluminum fins with hydrophilic condensing surfaces which are stacked and clamped between two cold plates. The cold plates are aligned radially along a plane extending through the axis of a cylindrical duct and hold the stacked and clamped portions of the heat exchanging fins along the axis of the cylindrical duct. The fins extend outwardly from the clamped portions along approximately radial planes. The spacing between fins is symmetric about the cold plates, and are somewhat more closely spaced as the angle they make with the cold plates approaches 90.degree.. Passageways extend through the fins between vertex spaces which provide capillary storage and communicate with passageways formed in the stacked and clamped portions of the fins, which communicate with water drains connected to a pump externally to the duct. Water with no entrained air is drawn from the capillary spaces.

Thomas, Christopher M.↗

Nickel Hydroxide Nanofluid Cathodes with High Solid Loadings and Low Viscosity for Energy Storage Applications

Nanofluid electrodes with high loading of active solid materials have significant potential as high energy density flow battery electrolytes; however, two key criteria need to be met: they must have a manageable viscosity for pumping and simultaneously exhibit good electrochemical activity. A typical dispersion of nickel hydroxide nanoparticles (~100 nm) is limited to 5–10 wt.% of solids, above which it has a paste-like consistency, incompatible with flow applications. We report on the successful formulation of stable dispersions of a nano-scale nickel hydroxide cathode (β-Ni(OH) 2 ) with up to 60 wt.% of solids and low viscosity (32 cP at 25 °C), utilizing a surface graft of small organic molecules. The fraction of grafting moiety is less than 3 wt.% of the nanoparticle weight, and its presence is crucial for the colloidal stability and low viscosity of suspensions. Electrochemical testing of the pristine and modified β-Ni(OH) 2 nanoparticles in the form of solid casted electrodes were found to be comparable with the latter exhibiting a maximum discharge capacity of ~237 mAh/g over 50 consecutive charge–discharge cycles, close to the theoretical capacity of 289 mAh/g.

25 ENERGY STORAGE↗

Simplified Method for the In Situ Collection and Laboratory Analysis of Cosmogenic Tracers (Sulfur-35 and Sodium-22) to Determine Residence Time Distributions and Water Ages

The use of cosmogenically produced sulfur-35 (T 1/2 = 87 days) and sodium-22 (T 1/2 = 2.6 years) as intrinsic tracers can provide valuable information on catchment hydrology, flow paths, and subsurface storage. A new and straightforward method was created to determine the activities of both 35 S and 22 Na in various water sources by pumping large volumes (up to 1000 L) of water through cation- and anion-exchange resin columns in the field to collect sodium and sulfate ions and simple chemistry in the lab. Samples are counted for 35 S using liquid scintillation counting (LSC) and for 22 Na via γ spectroscopy. Our novel in situ method provides faster sample throughput as well as better counting statistics and lower detection limits. Both methods were successfully applied at the Southern Sierra Critical Zone Observatory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Performance of alloy 600 in flowing commercial Cl salt at 600°-750°C

For the next generation of concentrating solar power (CSP) plants, K-Mg-Na chloride salts are being explored as a potential higher temperature thermal storage medium. However, there are concerns about compatibility of structural alloys with the salt. To move beyond simple static pot compatibility experiments while a pumped salt loop is being constructed, thermal convection loops were constructed from ~16wt.%Cr Ni-based alloy 600 and operated for 100-1000 h with peak temperatures of 700° and 750°C. These experiments indicated that alloy 600 was compatible up to 700°C with purified (i.e. low O2-) or dried (low H2O) industrial-sourced Mg-K-Na chloride salt with <10 µm/yr loss. Mass transfer was observed from the hot leg to the cold leg in each experiment and more surface deposits were observed with the dried salt. Post-exposure room temperature tensile tests showed minimal degradation of alloy 600 under these conditions.

Pint, Bruce↗

Summary of design and blade-element performance data for 12 axial-flow pump rotor configurations

A collection of noncavitating blade-element performance data for 12 axial-flow pump rotor configurations is presented in tabular form. Rotor design philosophy, test apparatus and procedure, and data reduction and evaluation are discussed. A data storage and recall computer program is described. All but one of the rotor configurations considered were composed of double-circular-arc blade sections and were designed for high inlet relative flow angles. Hub-tip radius ranged from 0.40 to 0.90.

Miller, M. J.↗

Fusible pellet transport and storage of heat

A new concept for both transport and storage of heat at high temperatures and heat fluxes is introduced and the first steps in analysis of its feasibility is taken. The concept utilizes the high energy storage capability of materials undergoing change of phase. The phase change material, for example a salt, is encapsulated in corrosion resistant sealed pellets and transported in a carrier fluid to heat source and storage. Calculations for heat transport from a typical solar collector indicate that the pellet mass flow rates are relatively small and that the required pumping power is only a small fraction of the energy transport capability of the system. Salts and eutectic salt mixtures as candidate phase change materials are examined and discussed. Finally, the time periods for melting or solidification of sodium chloride pellets is investigated and reported.

Bahrami, P. A.↗

Development of Integrated Mechanical Pods

This presentation highlights early wins, updated progress, and upcoming developments on ‘national-scale shared development platform’ for rapid prototyping, testing and validation of various integrated Mechanical Pod solutions and form factors. Such pod solutions consist of a set of all-electric heat pump mechanical equipment that have integrated functionalities through built-in controls, with heating, cooling, hot water, ventilation (including energy recovery), electrical management, and battery storage within a single package. The presentation draws inspiration from the success of bathroom pods in the US modular construction industry, UK’s efforts with unitizing mechanical systems as ‘utility cupboards’, and VEIC’s early wins in design-build of all-electric Mechanical Pod solutions in Vermont. The presentation includes researchers and partners involved with NREL in Design for Manufacturing and Assembly (DfMA), Virtual Design and Construction (VDC), and digital twin based process optimization modeling of integrated Mechanical Pod solutions. The presentation aims to highlight early wins from such a platform and how various physical and virtual tools are currently being employed as part of NREL’s ongoing multi-year project funded by US DOE. Streamlined procurement, coordination, installation, and O&M of Mechanical Pods such that the majority of work is delegated to the off-site modular factory implies monetary savings. Such a seemingly basic shift in location of the construction process leads to great reduction in complexity, first cost, lead time, and waste, and greater opportunities for innovative compartmentalization and integration of mechanical systems appropriately sized for each apartment or hotel guest room. However, past studies on unitized combination systems show that high installation costs, maintenance issues, challenges with system integration, limitations in existing electrical infrastructure, and lack of architecturally appealing solutions are key barriers. NREL and partners aim to address key barriers through DfMA approach, rapid prototyping and testing, and digital twin process optimization modeling. The presentation is also a call for interested entities to partner with NREL as part of the national-scale development platform, help drive both product and process innovation, and encourage open source sharing of learnings. Learning objectives include (1) learn about the vision of national-scale shared development platform for process-product innovation on integrated mechanical pod solutions and how to get involved, (2) gain an understanding of the components of an all-electric, high performance home, design characteristics and equipment included in an all-electric mechanical pod, integration of mechanical systems within a modular factories’ assembly line, and the system’s commissioning, operation and maintenance. The pre-planning and coordination with the factory and sub-contractors are also highlighted, (3) gain an understanding of using process modeling tools to quantify resource-constrained performance of operations (such as integration of energy efficiency strategies) to manufacture modules of varying design, (4) gain insights on virtual design, rapid prototyping, and emulated testing of various form factors across different climatic conditions. The need for such preliminary testing with open source sharing of learnings will also be highlighted.

30 DIRECT ENERGY CONVERSION↗

Reference Station Design for Heavy-Duty Vehicles

Five alternative design configurations for a heavy-duty hydrogen refueling truck stop are detailed in this work. Each of the station concepts provides fast, 5-minute, 50 kg fills of up to 4 vehicles simultaneously, with a station capacity of 4200 kg/day. Two on-site production stations using PEM electrolysis are considered: one with off-peak production of the daily capacity; and one with on-demand production of hydrogen during vehicle refueling. Three delivered liquid hydrogen station concepts are considered: one with the same, high-pressure cascade storage system for dispensing as the electrolysis supplied stations, with low-pressure vaporization of the liquid hydrogen and pressurization via a compressor; and two with on-demand pressurization: one by low-pressure vaporization and compressors; and one with a cryogenic pump and high-pressure vaporization. Design, economic, and operational considerations for each of the components needed in these station concepts is provided. Of all the station concepts, the delivered liquid station with a low-pressure vaporizer and a cascade dispensing system has the lowest capital costs and equipment footprint, but the second highest operating costs primarily due to high costs for liquid hydrogen delivery. The lowest operating cost station is that with on-site production via PEM electrolysis at off-peak hours with a cascade delivery system. The low-pressure buffer storage system and electrolyzers have a large footprint and considerable capital costs, but could result in a low total cost of ownership, depending on the design timeline. The liquid hydrogen station with a cryo-pump has moderate capital costs, the lowest operating costs of the three delivered hydrogen stations, and the same small equipment footprint as the delivered liquid, cascade dispensing system. As cryogenic pumping technology improves and the capital costs for these pumps decreases, this station concept will become even more favorable. Three-dimensional renderings of the five station concepts provide station designers with a starting point for the development of heavy-duty refueling stations.

08 HYDROGEN↗

Liquid Salt Combined-Cycle Pilot Plant Design

The work described in this report is responsive to the Office of Fossil Energy program ‘Energy Storage for Fossil Power Generation.’ This Phase I report has been prepared by Pintail Power LLC, with support from Nexant ECA, Electric Power Research Institute (EPRI) and Southern Company Services as a deliverable for the U.S. Department of Energy for NETL Award DE-FE-00320016. The Liquid Salt Combined Cycle™ (LSCC™) technology provides large-scale energy storage integrated with Fossil Electric Generating Units (FEGUs) to meet critical needs in the energy transition by providing: • the lowest cost large-scale storage for time-shifting of renewable energy, • superior fuel efficiency to reduce GHGs from dispatchable resources, • flexible capacity and ramping to balance variability of wind and solar resources, • essential grid stability services to assure reliability of a low-carbon grid. The LSCC approach: • employs equipment that has already been proven in utility service, • uses safe, non-toxic, non-degrading, perpetual-life storage medium, • leverages and repurposes existing FEGU assets, • expands the value stack of energy storage to reduce market, financing, and commodity risks. Pintail Power has developed the LSCC technology to meet the need for reliable, efficient, and cost-effective integration of Variable Renewable Energy (VRE) into a low-carbon electric grid by coupling proven thermal energy storage with proven gas turbines, steam turbines, and heat transfer equipment. This novel approach is intended to address the key issues facing the grid and operators of renewable and fossil generating units including: • Overgeneration and curtailment of renewables, • Need for fast ramping dispatchable resources, • Improved efficiency and flexibility of fossil units, • Additional peaking capacity to support electrification of transportation and heating, • Provision of reliability services to support high penetration of VRE, especially synchronous inertia and fast frequency response. A Technology Readiness assessment by EPRI confirmed that LSCC technology consists of commercially proven hardware used in industrial and utility applications. Although the novel LSCC approach has not yet been demonstrated as a complete system, interfaces between major components have been conservatively specified. A Phase III pilot is planned to demonstrate equipment integration and operation. The patented innovation is removal of the evaporator section from the exhaust heat recovery system, with the evaporation performed by stored energy in a separate steam generator. This arrangement couples renewable and fossil power generation via long-duration energy storage to deliver cost, performance, and operational synergies, including superior charging and discharging flexibility, reduced fuel consumption and lower CO 2 emissions compared to conventional Combined Cycle Power Plants, and low-cost, large-scale energy storage. The LSCC technology is composed of proven equipment integrated with gas turbine exhaust heat in a novel system. During charging, electric heaters raise the salt temperature as it flows from the Cold Salt Tank to the Hot Salt Tank. During discharging, hot salt produces steam from feedwater that is heated with gas turbine exhaust, which also superheats steam to drive a steam turbine. LSCC technology can be added to any combustion-turbine to integrate renewable energy, provide needed grid services, and increase the value of fossil electric generating units based on the technology’s following attributes: • Long-duration storage enables time-shifting of VRE to avoid curtailment and impairment of renewable assets. • Long storage duration combined with fast-charging capability increases arbitrage opportunities by storing more energy when the price is low and discharging more hours when the price is high. • Long storage duration allows resource adequacy to be supplied across multiple days to increase reliability and reduce risk. • The stored energy reduces fuel heat rate and GHG emissions, and increases merit, so the LSCC dispatches earlier and longer to increase the plant’s capacity factor and asset value. • The stored energy enables pre-heating and startup of the steam cycle, without operating the gas turbine, to enable fast startup and ramping when dispatched for discharge. • The steam turbine can operate without the gas turbine so it can provide valuable synchronous inertia during charging without consuming fuel. • Fast frequency response and regulation services can be provided during charging using solid-state heater and pump controls to vary the charge power input in response to grid signals. • The LSCC system can be configured for resilience including black start, islanded/micro-grid operation, and even self-recharging of storage using either gas turbine power or gas turbine exhaust heat. The commercialization plan is to add LSCC technology to existing simple cycle gas turbine power plants with the 50MW GE LM6000 aero-derivative gas turbine as the reference design basis. A Techno-economic assessment of the reference design evaluated the benefits (Levelized Avoided Cost of Energy) and costs (Levelized Cost of Energy). The plant definition included all major systems and budgetary vendor quotes. Pintail Power and NexantECA developed the overall cost estimate for the LSCC plant up to the total plant cost level, following the DOE-NETL cost estimate guidelines at AACE Class 3 (-20%/+30%). This includes the equipment cost, bulk material, direct and indirect labor costs to arrive at the bare erected cost. Engineering costs are factored from the BEC and added to it to arrive at the EPC cost. Process and project contingencies were then factored from the EPC cost and rolled-up to yield the total plant cost of $\$$184 million for 1746 MWh of discharge electricity. • At $\$$105/kWh, the reference plant costs less than any of the Energy Storage Systems evaluated by PNNL in 2020 for the Energy Storage Grand Challenge. Operations and Maintenance cost estimates were scaled from combined cycle practice, assuming that the LSCC unit was co-located with and sharing some labor expense with other units, to arrive at $\$$2.2 million per year. Plant economics were evaluated using prices from the ERCOT Day-Ahead Market for calendar year 2019 (excluding the market disruptions from the COVID pandemic and the February 2020 deep freeze event). Assuming economic dispatch in the ERCOT Day-Ahead market, the reference plant capacity factor would have discharged for 2777 hours at 91.9 MW, a 31.66% capacity factor, with a marginal cost of $\$$25.59/MWh, and a LACE of $\$$82.41/MWh. Fixed charges were calculated according to EIA guidelines to arrive at an LCOE of $\$$83.48. The benefit-to-cost ratio of 0.99 suggests that the reference plant would have been cost-effective and competitive in the market. EPRI interviewed selected utilities to gauge the need for, applicability of and interest in the LSCC system. Several utilities are currently managing increased load growth along with the inclusion of increasing levels of renewable generation, putting pressure on conventional generation by requiring increased turndown requirements and ultimately lower capacity factors. All of the utilities interviewed have CO 2 reduction targets in the 2030-2050 timeframe that will severely limit the participation of fossil generation and require better utilization of carbon free generation. While there is limited opportunity for storage in the current markets, the utilities interviewed stated that there will be a substantial need for long duration energy storage in the future given the expected trends. Utilizing an energy storage system will generally be preferred over new gas capacity in some cases, with the capabilities of the LSCC system being a potential option for retrofit to existing simple cycle gas turbine units, allowing them to deliver greater participation in the market with lower carbon intensity. A technology gap assessment and technology maturation plan identified a pilot-scale demonstration as the final step before commercialization. Key gaps to be addressed during the Phase II FEED (Front-End Engineering Design) are component selection and design, commissioning procedures, and operational procedures and the control system for LSCC charging and discharging. The project team has been expanded to include Wood Group PLC as EPC. The proposed Phase II work leads to a pilot-scale engineering demonstration (TRL 6) to be conducted at Southern Company’s Plant Rowan, where the prototype system will perform “all the functions that will be required of the operational system.” The proposed pilot will facilitate commercialization (TRL-9) by scale-up to utility-scale systems integrated with peaking GTs or directly to facility scale systems using industrial GTs. The conceptual design for the pilot plant focuses on the novel integration aspects of LSCC technology. A slipstream of gas turbine exhaust will feed a waste heat recovery unit coupled to a molten salt steam generator heated by stored energy. The pilot is intended to demonstrate all key operating modes of the LSCC technology during charging, discharging and standby. The pilot equipment will be approximately one-seventh scale of the LM6000 commercial target and is expected to have commercial off-ramp potential for facility-scale applications.

01 COAL, LIGNITE, AND PEAT↗

Design tradeoffs for a Space Station solar-Brayton power system

Mass, area, and station-keeping propellant needs have been estimated for a typical system. And, although important criteria such as cost, Shuttle packaging, and erection/deployment schemes were not considered, the documented trends should aid in many of the design choices to be made. Effects on system characteristics were examined for: three heat storage salts with melting temperatures from 743 to 1121 K; parabolic and Cassegrainian mirrors; module power levels of 20 and 40 kW; and, alternate pumped-loop, tube-and-fin radiator configurations, with and without micrometeoroid armoring.

Klann, J. L.↗

STS-69 Postflight Presentation

A postflight conference of the STS-69 mission is presented. The flightcrew ('The Dog Team') consisted of Cmdr. David Walker, Pilot Kenneth Cockrell, Payload Cmdr. James Voss, and Mission Specialists James Newman and Michael Gernhardt. The mission's primary objective was the deployment and retrieval of the SPARTAN-201 satellite, which investigated the interaction between the Sun and it's solar wind. Other secondary experiments and shuttle payloads included the Wake Shield Facility (WSF), which grew several layers of semiconductor films, the International Extreme Ultraviolet Hitchhiker (IEH-1), the Capillary Pumped Loop-2/Gas Bridge Assembly (CAPL-2/GBA), several Get Away Specials (GAS) experiments, the Electrolysis Performance Improvement Concept Study (EPICS), the Thermal Energy Storage (TES-2) experiment, the Commercial Generic Bioprocessing Apparatus-7 (CGBA-7), the National Institutes of Health-Cells 4 (NIH-C4) experiment, and the Biological Research in Canister-6 (BRIC-6) experiment. Earth views consisted of Saudi Arabia water wells, uncommon vortices over Oman, the Amazon River, the Bahamas, Somalia, a sunset over the Earth's horizon, and two hurricanes, Luis and Marilyn.

Source record↗

Hydrogen-Enhanced Lunar Oxygen Extraction and Storage Using Only Solar Power

The innovation consists of a thermodynamic system for extracting in situ oxygen vapor from lunar regolith using a solar photovoltaic power source in a reactor, a method for thermally insulating the reactor, a method for protecting the reactor internal components from oxidation by the extracted oxygen, a method for removing unwanted chemical species produced in the reactor from the oxygen vapor, a method for passively storing the oxygen, and a method for releasing high-purity oxygen from storage for lunar use. Lunar oxygen exists in various types of minerals, mostly silicates. The energy required to extract the oxygen from the minerals is 30 to 60 MJ/kg O. Using simple heating, the extraction rate depends on temperature. The minimum temperature is approximately 2,500 K, which is at the upper end of available oven temperatures. The oxygen is released from storage in a purified state, as needed, especially if for human consumption. This method extracts oxygen from regolith by treating the problem as a closed batch cycle system. The innovation works equally well in Earth or Lunar gravity fields, at low partial pressure of oxygen, and makes use of in situ regolith for system insulation. The innovation extracts oxygen from lunar regolith using a method similar to vacuum pyrolysis, but with hydrogen cover gas added stoichiometrically to react with the oxygen as it is produced by radiatively heating regolith to 2,500 K. The hydrogen flows over and through the heating element (HE), protecting it from released oxygen. The H2 O2 heat of reaction is regeneratively recovered to assist the heating process. Lunar regolith is loaded into a large-diameter, low-height pancake reactor powered by photovoltaic cells. The reactor lid contains a 2,500 K HE that radiates downward onto the regolith to heat it and extract oxygen, and is shielded above by a multi-layer tungsten radiation shield. Hydrogen cover gas percolates through the perforated tungsten shielding and HE, preventing oxidation of the shielding and HE, and reacting with the oxygen to form water vapor. The water vapor is filtered through solid regolith to remove unwanted extraction byproducts, and then condensed to a liquid state and stored at 300 to 325 K. Conversion to usable oxygen is achieved by pumping liquid water into a high-pressure electrolyzer, storing the gaseous oxygen at high pressure for use, and diverting the hydrogen back to the reactor or to storage. The results from this design effort show that this oxygen-generating concept can be developed in an efficient system with low specific mass. Advantages include use of regolith as an oxygen source, filter, and thermal insulator. The system can be tested in Earth gravity and can be expected to operate similarly in lunar gravity. The system is scalable, either by increasing the power level and output of a standard module, or by employing multiple modules.

Burton, rodney↗

Optimizing Heat Recovery with Storage: Control Validation and Sensitivity Analysis of the Time-Independent Energy Recovery Plant Using Modelica

Heat recovery in large building central plants saves energy but traditionally requires simultaneous heating and cooling. The Time-Independent Energy Recovery (TIER) plant shifts this paradigm by integrating thermal energy storage (TES) to enable heat recovery regardless of concurrent demand, offering a highly efficient, space-saving solution to achieve California’s energy goals. However, its integration of heat recovery chillers, cooling-only chillers, cooling towers, and trim air-source heat pumps (ASHPs) creates growing control and sizing complexity. To overcome this, this study employs high-fidelity Modelica dynamic simulation to validate TIER control sequences and optimize equipment sizing. We translated the written Sequences of Operation into executable Control Description Language (CDL) to test logic against sub-hourly loads. This verification workflow successfully identified and resolved critical vulnerabilities, such as thermal storage freezing and equipment short-cycling, in a virtual environment prior to physical deployment. Then, the study analyzes TIER plant performance across three simulated building types in three locations, and a real building load profile, ensuring variety in heating and cooling loads, and simultaneity factors and explores sizing rules for the TES and ASHP capacity. The analysis shows that the TIER plant operates equipment efficiently leading to a plant SCOP of around 7.5 across all scenarios, higher than a traditional ASHP plant, and a viable pathway to de-risk complex system design and control through simulation to identify optimal designs that maximize energy efficiency, minimize operational costs, and ensure robust operation in varied environmental conditions, thereby facilitating the broader adoption of such a solution for large buildings.

Zanetti, Ettore↗

Discovery of Energy Storage Molecular Materials Using Quantum Chemistry-Guided Multiobjective Bayesian Optimization

Redox flow batteries (RFBs) are a promising technology for stationary energy storage applications due to their flexible design, scalability, and low cost. In RFBs, energy is carried in flowable redoxactive materials (redoxmers) which are stored externally and pumped to the cell during operation. Further improvements in the energy density of RFBs necessitates redoxmer designs with wider redox potential windows and higher solubility. Additionally, designing redoxmers with a fluorescence-enabled self-reporting functionality allows monitoring of the state of health of RFBs. To accelerate the discovery of redoxmers with desired properties, state-of-the- art machine learning ( ML) methods, such as multiobjective Bayesian optimization (MBO), are useful. Here, we first employed density functional theory calculations to generate a database of reduction potentials, solvation free energies, and absorption wavelengths for 1400 redoxmer molecules based on a 2,1,3-benzothiadiazole (BzNSN) core structure. From the computed properties, we identified 22 Pareto-optimal molecules that represent best trade-off among all of the desired properties. We further utilized these data to develop and benchmark an MBO approach to identify candidates quickly and efficiently with multiple targeted properties. With MBO, optimal candidates from the 1400-molecule data set can be identified at least 15 times more efficiently compared to the brute force or random selection approach. Importantly, we utilized this approach for discovering promising redoxmers from an unseen database of 1 million BzNSN-based molecules, where we discovered 16 new Pareto-optimal molecules with significant improvements in properties over the initial 1400 molecules. Furthermore, we anticipate that this active learning technique is general and can be utilized for the discovery of any class of functional materials that satisfies multiple desired property criteria.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Normality of I-V Measurements Using ML

There is an increased interest in instrument-computing ecosystems (ICEs) that support science workflows empowered by AI-automated experiments and computations in diverse areas. In particular, electrochemistry ICEs are promising for accelerating the design and discovery of electrochemical systems for energy storage and conversion, by automating significant parts of workflows that combine synthesis and characterization experiments with computations. They require the integration of flow controllers, solvent containers, pumps, fraction collectors, and potentiostats, all connected to an electrochemical cell, as illustrated in Fig. 1. These are specialized instruments with custom software that is not originally designed for network integration. We developed network and software solutions for electrochemical workflows that adapt system and instrument settings in real-time for multiple rounds of experiments. In particular, we developed Python wrappers for Application Programming Interfaces (APIs) of instrument commands and Pyro client-server modules that enable them to be executed from remote computers. The entire workflow is orchestrated by a Jupyter notebook running on a remote computer.

Al Najjar, Anees↗

Techno-Economic Analysis of a Microgrid System for Rural Communities in the United States

Access to running water has been a pressing issue in many developing countries across the globe, and also continues to be a problem in some rural areas in the United States. Today, more than two million Americans living in rural areas lack access to basic water supply and infrastructure. Rural communities tend to be located in environmentally fragile areas with poor economic conditions, making access to appropriate, low-cost technology for clean water supply and sanitation more challenging. In addition, many of the water resources located in these areas are being jeopardized by climate change in recent years. This research proposes a photovoltaic (PV)-battery microgrid system for powering water pumps in off-grid areas in an effort to identify economically and technologically feasible solution to the problems. Utilizing the HOMER Pro software, developed by the U.S. National Renewable Energy Laboratory (NREL), the case of the Navajo Nation is examined by analyzing the effects of this region's air temperature on the life and performance of battery storage and the economics of the proposed microgrid system.

battery↗

Semi–Analytical Modeling of Transient Stream Drawdown and Depletion in Response to Aquifer Pumping

Analytical and semi–analytical models for stream depletion with transient stream stage drawdown induced by groundwater pumping are developed to address a deficiency in existing models, namely, the use of a fixed stream stage condition at the stream–aquifer interface. Here field data are presented to demonstrate that stream stage drawdown does indeed occur in response to groundwater pumping near aquifer–connected streams. A model that predicts stream depletion with transient stream drawdown is developed based on stream channel mass conservation and finite stream channel storage. The resulting models are shown to reduce to existing fixed–stage models in the limit as stream channel storage becomes infinitely large, and to the confined aquifer flow with a no–flow boundary at the streambed in the limit as stream storage becomes vanishingly small. The model is applied to field measurements of aquifer and stream drawdown, giving estimates of aquifer hydraulic parameters, streambed conductance, and a measure of stream channel storage. The results of the modeling and data analysis presented herein have implications for sustainable groundwater management.

54 ENVIRONMENTAL SCIENCES↗