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At least 433 records · Page 24

Integrated Energy Systems: 2020 Roadmap

This roadmap defines potential industrial scale integrated energy systems (IES) and identifies key technology gaps to achieving commercial deployment of such systems. IES under consideration could include multiple energy generation resources and energy use paths, with a focus on low-emission technologies, such as nuclear and renewable generators. Together these technologies provide affordable, reliable, and resilient energy while simultaneously reducing environmental emission of CO 2 and greenhouse gases (GHGs). System design and optimization would consider both technical performance and economic viability within various deployment markets.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Cost Benefit Analyses through Integrated Online Monitoring and Diagnostics (Final Report)

The objective of this research is to improve the economic competitiveness of advanced reactors through the optimization of cost and plant performance, which can be achieved by coupling intelligent online monitoring with asset management decision-making. As advanced reactors are early in the development life-cycle, online monitoring systems and associated sensor networks can be incorporated directly into the design without constraints related to retrofitting and system upgrades

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Advancements in Development and Testing of Thermal Power Dispatch Simulators

Flexible plant operations and generation (FPOG) offer nuclear power plants (NPPs) the chance to leverage alternative, non-electric revenue streams while ensuring their continued role as reliable, clean, and constant sources of baseload electrical power. The excess thermal energy generated from NPPs during periods of low electricity demand can be channeled as raw materials to numerous industrial processes via a thermal power dispatch (TPD) system. Hydrogen production via high-temperature steam electrolysis (HTSE) is an optimal use case based on technical and economic feasibility. Researchers at Idaho National Laboratory (INL) have conducted previous works that developed and implemented TPD system models within the GSE Solutions Generic Pressurized Water Reactor (GPWR) simulator to support human-in-the-loop (HITL) scenario-based evaluations. The first part of this report documents modifications made to the GPWR TPD model and HMI from the previous iteration in line with a new Sargent and Lundy (S&L) TPD design with an automatic control system. The was done in collaboration with Westinghouse using their three-loop pressurizer water reactor (W3LPWR) simulator which contains an industrial grade automatic control system for the TPD. This was installed in the Human Systems Simulation Laboratory (HSSL) at INL. The second part of the report documents findings from an all-hands-on-deck integration and verification workshop that was conducted in the HSSL over several days. The research team comprised INL human factors and TPD experts, a nuclear engineer from GSE Solutions who implemented the revised TPD model for GPWR, the human-machine interface (HMI) prototyping and human factors team from the University of Idaho, and personnel with operations experience with pressurized water reactors. The workshop provided time and expertise to conduct the final activities to bring the operations, HMI, and simulator into a functional state. The goals of the integration and verification workshop were: 1. to install the revised GPWR TPD model into the HSSL 2. verify the TPD HMI prototype was functional 3. integrate the HTSE Simulink model to GPWR. 3. Issues were identified for resolution, but overall the workshop accomplished its goal to integrated and verify the majority of the intended functional. Future work will resolve the identified issues and use the integrated simulation to support an evaluation and demonstration in the next fiscal year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Field-Deployable Magnetic Resonance Imaging Rhizotron for Modeling and Enhancing Root Growth and Biogeochemical Function

A collaborative team from Texas A&M AgriLife Research, ABQMR Inc., the Soil Health Institute, the Athinoula A. Martinos Center for Biomedical Imaging, and NIST developed low-field magnetic resonance imaging (LF-MRI) instrumentation capable of imaging intact soil-root systems. The system measured root biomass, architecture, 3D mass distribution, and growth rates, providing a non-destructive means to evaluate ideal plant characteristics based on root metrics. It also successfully generated three-dimensional images of soil water content, a key property influencing root growth and exploration. Operating much like an MRI used in a medical setting, the system functioned in field conditions without damaging plants, overcoming the limitations of traditional methods such as trenching, soil coring, and root excavation. Over the course of the project, the team designed and built three functional prototype systems. These prototypes provided new insights into root–water–soil interactions that drive processes such as nutrient uptake, water use, and carbon management. This information contributed to efforts to optimize plants for carbon sequestration without sacrificing economic yield. The project also supported the identification of desirable traits for energy sorghum, including high root growth rates, more vertical root angles, and enhanced drought resilience under water-limiting conditions.

09 BIOMASS FUELS↗

A Two-Level Model Predictive Control-Based Approach for Building Energy Management including Photovoltaics, Energy Storage, Solar Forecasting and Building Loads

This paper uses a two-level model predictive control-based approach for the coordinated control and energy management of an integrated system that includes photovoltaic (PV) generation, energy storage, and building loads. Novel features of the proposed local controller include (1) the ability to simultaneously manage building loads and energy storage to achieve different operational objectives such as energy efficiency, economic cost efficiency, demand response and grid optimization through the design of specific power trajectory tracking performance functionals, (2) an energy trim function that minimizes the impact of solar forecasting errors on system performance, and (3) the design of a state of charge controller that uses day-ahead forecast of solar power and building loads to intialize energy storage at the start of each day. The local controller is tested in simulation using an exemplary system with PV generation, energy storage and dispatchable building loads. Two sample days with different PV forecasts and multiple case scenarios are considered, and the performance of the algorithm in managing the real and reactive net building load trajectories and the ramp rate of PV injections into the utility network are evaluated. The simulations are based on actual forecasted and measured PV data, and the results show that the local controller meets the tracking requirements for real and reactive power within the operating constraints of the building.

14 SOLAR ENERGY↗

Large area flexible solar array design for Space Shuttle application

A large area flexible solar array has been designed for Shuttle power augmentation. The solar array utilizes large area, low cost, weldable solar cells. The paper addresses how the unique requirements of this system are implemented into the design. Economic and reliability issues relating to the optimization of a large area, foldable solar array concomitant to the Shuttle/Orbiter system are reviewed.

Souza, C. J.↗

Performance of a Supersonic Over-Wing Inlet with Application to a Low-Sonic-Boom Aircraft

Development of commercial supersonic aircraft has been hindered by many related factors including fuel-efficiency, economics, and sonic-boom signatures that have prevented over-land flight. Materials, propulsion, and flight control technologies have developed to the point where, if over-land flight were made possible, a commercial supersonic transport could be economically viable. Computational fluid dynamics, and modern optimization techniques enable designers to reduce the boom signature of candidate aircraft configurations to acceptable levels. However, propulsion systems must be carefully integrated with these low-boom configurations in order that the signatures remain acceptable. One technique to minimize the downward propagation of waves is to mount the propulsion systems above the wing, such that the wing provides shielding from shock waves generated by the inlet and nacelle. This topmounted approach introduces a number of issues with inlet design and performance especially with the highly-swept wing configurations common to low-boom designs. A 1.79%-scale aircraft model was built and tested at the NASA Glenn Research Center's 8-by 6-Foot Supersonic Wind Tunnel (8x6 SWT) to validate the configuration's sonic boom signature. In order to evaluate performance of the top-mounted inlets, the starboard flow-through nacelle on the aerodynamic model was replaced by a 2.3%-scale operational inlet model. This integrated configuration was tested at the 8x6 SWT from Mach 0.25 to 1.8 over a wide range of angles-of-attack and yaw. The inlet was also tested in an isolated configuration over a smaller range of angles-of-attack and yaw. A number of boundary-layer bleed configurations were investigated and found to provide a substantial positive impact on pressure recovery and distortion. Installed inlet performance in terms of mass capture, pressure recovery, and distortion over the Mach number range at the design angle-of-attack of 4-degrees is presented herein and compared to that at 0- degrees, as well as the isolated inlet configuration to highlight installation effects. Performance of the installed inlet fell below that of the isolated inlet at Mach numbers of 1.4 and greater. The installed inlet demonstrated adequate operability over the expected range of angles-of-attack and yaw, but did exhibit definite angle-ofattack and yaw limits at supersonic conditions. At each supersonic flight Mach number, performance parameters near zero yaw angle were relatively insensitive to yaw, but in general the yaw angle yielding best performance was non-zero and varied with angle-of-attack. Performance of the installed inlet is also presented as functions of angle-of-attack and yaw to highlight these effects. Distortion at the aerodynamic interface plane ranged between 10 and 25% at the inlet critical points over the range of flight Mach numbers tested and did not decrease significantly for the isolated inlet. Although these distortion levels would be considered high for operation with a turbine engine, the over-wing installation is likely not as significant a contributor as the low test Reynolds number. This is demonstrated by comparing CFD analysis of the isolated inlet at test scale with that at intermediate and full scales.

Performance↗

Start-up of Silo 130 Waste Retrieval at La Hague: first Step Towards Reducing Legacy Inventory - 20020

On June 25, 2019, the first grapple of waste and debris was lifted from Silo 130, one of the most challenging legacy waste storage silos at La Hague. This was the achievement of more than ten years of studies and efforts focused on solving some very unique technical and safety challenges, and on designing an innovative, efficient solution. The waste is from de-cladding materials from past Gas-Cooled Reactor fuel reprocessing operations. It is an unsorted mixture of magnesium cladding pieces, graphite debris, and various other metallic waste types. These materials can be chemically reactive and therefore need specific dispositions for handling and storing. The building is more than 40 years old and does not meet modern standards. French safety authorities have required the silo to be emptied. After about three years of operation, the bulk of this waste will be removed and placed in safe storage, pending the selection of a final conditioning solution. Removal of bottom debris will then be possible. When finished, this operation will bring a conclusion to a significant legacy-related hazard on the site. The silo will then be available for final cleaning and de-activation. This paper will describe the technical, safety, and economical challenges, and the various decisions and optimizations that led to the definition of the process and technology to be implemented. Several innovative features were developed and implemented, in all sections of the project: project organization, progressive approach for the waste disposition strategy, light building design, customized and robust retrieval technology, processing technologies involving the most modern robotic and sorting techniques, storage method... Several of these first-of-a-kind innovative features have been developed and qualified specifically for this application, using the detailed qualification procedure specified for all La Hague projects. The facility was built in less than five years, overcoming various difficulties along the line. Commissioning is now finished with the combined efforts of the project, engineering, start-up, and operating teams assisted by dedicated suppliers. The facility is now ramping-up. The paper will also report on the commissioning and start-up of the facility and describe the first operational results. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A comprehensive techno-eco-assessment of CO 2 enhanced oil recovery projects using a machine-learning assisted workflow

Carbon dioxide enhanced oil recovery (CO 2 -EOR) projects not only extract residual oil but also sequestrate CO 2 in the depleted reservoirs. Here, this study develops a machine-learning-based workflow to co-optimize the hydrocarbon recovery, CO 2 sequestration volume and project net present value (NPV) simultaneously. Considering the trade-off relationships among the objective functions, support vector regression with Gaussian kernel (Gaussian- SVR) proxies are coupled with multi-objective particle swarm optimization (PSO) protocol and generate Pareto optimal solutions. Taking advantage of the high computational efficacy of the proxy model, economic uncertainties introduced by tax credits, capital costs and oil price are investigated by this study. The results indicate that the tax incentive policy (Section 45Q) plays a vital role in enhancing the economic returns of CO 2 -EOR projects, especially under the depression of crude oil market. The proposed workflow has been successfully implemented to optimize a water alternative CO 2 (CO 2 -WAG) injection project in a depleted oil sand in the US. The optimization results yield an incremental oil production of 15.8 MM STB and 1.37 MM metric tons of CO 2 storage in a 20-year development strategy, with the highest project NPV to be 205.6 MM US dollars.

03 NATURAL GAS↗

Sensitivity analysis, surrogate modeling, and optimization of pebble-bed reactors considering normal and accident conditions

This research provides a valuable tool that streamlines the optimization process while significantly increasing its accuracy. This study creates a robust framework for reactor design optimization by incorporating comprehensive modeling using the Comprehensive Reactor Analysis Bundle, or BlueCRAB, within the Multiphysics Object-Oriented Simulation Environment (MOOSE). BlueCRAB is the United States Nuclear Regulatory Commission's code suite for non-light water reactor analysis and includes the Griffin, Pronghorn, and Bison applications. This not only improves the efficiency of the optimization process but also enhances the reliability of the results. Such a tool is essential for advancing the state-of-the-art in pebble-bed reactor technology and is critical for achieving the goals of Generation IV reactors, which aim for safe, sustainable, and economically viable nuclear energy solutions. This work presents and applies this workflow on pebble-bed reactors while considering both normal and off-normal conditions. A representative gas-cooled pebble-bed reactor at equilibrium core conditions serves as the nominal design specification for normal operation and is based on previous research. The depressurized loss-of-forced-cooling accident is deployed for off-normal conditions in this work. After defining design-related parameters and quantities of interest regarding reactor safety and performance, this multiphysics model is sampled using the MOOSE stochastic tools module. The result is a comprehensive dataset of configurations, enabling sensitivity analysis and the generation of surrogate models. Subsequently, the dataset and surrogate models are employed in two optimization studies aimed at maximizing fuel utilization and economic profit while adhering to safety and operational constraints. Performing the optimization process with fuel utilization as the metric leads to an improvement of approximately 10%, compared to engineering-judgment-based nominal conditions. The optimization on economic profit leads to an estimated increase of ~300 million USD over the lifetime of the reactor.

97 MATHEMATICS AND COMPUTING↗

Optimizing Solar PV Deployment in Manufacturing: A Morphological Matrix and Fuzzy TOPSIS Approach

The growing energy demand of the industrial sector and the need for sustainable solutions highlight the importance of efficient decision making in solar photovoltaic (PV) implementation. Selecting optimal PV configuration is complex due to the interdependent technical, economic, environmental, and social factors involved. This study introduces an integrated decision-making method combining a morphological matrix and fuzzy TOPSIS to systematically select and rank optimal PV system configurations for manufacturing firms. While the morphological matrix exhaustively examines possible design solutions based on sensing, smart, sustainable, and social (S4) attributes, the fuzzy TOPSIS method ranks the alternatives by handling uncertainty in decision making. A case study conducted in a Mexican manufacturing company validates the methodology’s effectiveness. The optimal PV configuration identified comprehensively addresses operational and sustainability criteria, covering all lifecycle stages. This approach demonstrates quantitative superiority and greater robustness compared to existing fuzzy TOPSIS-based methods for solar PV applications. The findings highlight the practical value of data-driven, multi-criteria decision making for industrial solar energy adoption, enhancing project feasibility, cost efficiency, and environmental compliance. Future research will incorporate discrete event simulation (DES) to further refine energy consumption strategies in manufacturing.

Briceño, Citlaly Pérez↗

PSA 2025 DPRA for Cyber Optimization

Cyberattacks can have many different attack paths, durations, and goals. There are also many different mitigation options involving hardware, software, and/or humans. Evaluating defense options should include quantitative evaluation of overall effectiveness to make cost and risk-informed decisions. Typical cyberattack modeling methods only provide a qualitative evaluation and have difficulty with time dependent scenarios. The main areas of cybersecurity are confidentiality, integrity, and availability. For companies with cyber-physical systems such as advanced nuclear reactors, cyber-related integrity is a requirement set by the U.S. Nuclear Regulatory Commission. But companies are also concerned about availability or reliability as a business case. As cyber threats are evolving to a business-for-hire structure, more attacks focus on disrupting business success and reliability, causing financial and economic stability risk. Companies want reliability analysis while optimizing cost, which requires more than safety modeling methods. Dynamic-state-based and Markov-based modeling provides a method for better cyber scenario modeling with timing and conditional features not found in other numerical evaluation methods. EMRALD (Event Modeling Risk Assessment using Lined Diagrams) is a dynamic risk analysis modeling and simulation tool and has features that reduce modeling issues such as state-base explosion found in Markov-based tools. It has been used to model different time-dependent events including plant behavior and operator procedures. As a general modeling tool, EMRALD can also be used to model cyberattack scenarios with varying mitigation options and quantify effectiveness, producing numerical data for risk-informed decisions. This paper uses EMRALD to demonstrate that dynamic risk analysis can be used for cyber threat modeling to provide insights for design decision-making and optimize defense strategies.

97 - MATHEMATICS AND COMPUTING↗

Development of New Reactor Core Configuration for Power Uprate - Fuel Reload & Heat Processing Analyses, Core Design, System Safety Assessments, and Fuel Performance Analyses

With the passage of the Infrastructure Investment and Jobs Act in 2021 and the Inflation Reduction Act (IRA) in 2022, the United States stands at a critical juncture for the future of nuclear power. These landmark policies provide significant support for clean energy initiatives, positioning nuclear power as a key component of the nation’s strategy to reduce carbon emissions and achieve energy security. This growing emphasis on nuclear energy is driven by the need for reliable, low-carbon power sources as the country transitions away from fossil fuels. Federal policy, along with increasing state-level support, is encouraging investment in nuclear technology advancements to meet these demands. Building new nuclear power plants (NPPs), however, presents significant challenges due to high costs and long construction timelines. As a result, increasing the power output of existing NPPs through power uprates has emerged as a more feasible and cost-effective strategy. One key area of advancement is the development of accident-tolerant fuel (ATF), such as chromium-coated zirconium alloy cladding, which offers enhanced material performance, enabling power uprates in light water reactors (LWRs). Given the growing demand for nuclear energy fueled by federal policies and state initiatives, it is essential to evaluate the feasibility and benefits of significant power uprates in existing pressurized water reactors (PWRs) using advanced fuel technologies. The introduction of ATF concepts opens new opportunities for safely and economically achieving these power increases. Assessing whether these innovations can support substantial power uprates while maintaining operational safety is crucial to maximizing the potential of the nation’s existing nuclear infrastructure. This project aims to explore how power uprates can be achieved by boosting reactor thermal power output and optimizing reactor core design, while ensuring the safety and economic viability of NPPs. Specifically, it will focus on demonstrating the technical and economic feasibility of power uprates in a PWR using low 5-10% enrichment uranium (LEU+) high burnup (HBU) fuel combined with ATF concepts. In fiscal year 2024 (FY24), the research and development focus on building foundational models and conducting multi-physics performance and safety analyses to support the power uprate. The findings of the study would be shared through LWRS Seasonal Meetings, conferences and workshops with utility companies and researchers. These also serve as a basis for further study of fuel reloading optimization with ATF claddings.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Solid Phase Gradient Alloying Method via ShAPE

Alloying has been used to confer desirable properties to various metallic systems since the bronze age. For example, Ni, Mn, and Cr are alloyed into an Fe matrix to make steel, which has improved strength and corrosion resistance (as displayed in Fig. 1). In addition to the type of alloying elements, the amount of alloying elements added into a matrix is also very critical for a material’s mechanical property, physical property, machinability, and cost. Conventionally, new alloys are discovered by combining alloy precursors and elemental constituents into a mixture and melting them together. The solidified product or ingot represents a usually non-homogeneous combination of the chemistry with a microstructure dictated by the physics of solidification. It is time and energy intensive to optimize the alloying amounts via the casting process and hence, economically not conducive to rapid alloy discovery. In addition, the cast microstructure seen in the as-cast ingot is often not the ideal, nor even desired structure for optimized performance. Cast materials often need further processing such as homogenization, annealing, and deformation work put in through rolling, forging, extruding, etc. to have favorable microstructures and properties. A faster method to discover new alloy combinations and evaluate them in their worked or processed form is needed. Recently, Laser Engineered Net Shaping was applied to fabricate gradient compositional material for alloy designing. However, the mechanical properties of this gradient alloy were poor due to the existence of impurities, oxidation and cracks that are inherent in the melt-solidification process. Because of these limitations, we propose to use a solid-phase process (ShAPE) to create bulk materials (extrudates) that vary in composition from one end of the extruded solid to the other. Various manufacturing methods for alloy design including conventional casting method, laser based combinatorial method and current solid phase gradient alloying method are displayed and compared in Fig. 2. ShAPE machine and a schematic of ShAPE process are displayed in Fig. 3. Starting material is processed by a rotating and plunging die to form an extrudate. We are proposing through this methodology to invent a new, bulk-scale combinatorial technique. With this novel technique, alloying element can be dissolved into the matrix with a continued gradient without bulk melting. Formation of inter-metallics and defects originating from melt processing can be avoided. In addition, the ShAPE process creates the mixed alloy chemistry, and meanwhile subjects the material to severe plastic strain, which induces the favorable “worked” microstructure. Products from the ShAPE process can be tested in hardness directly providing a path to rapid evaluation of mechanical properties. The ability to create graded structures using friction stir processing (FSP) has been demonstrated, however using the ShAPE process we believe will lead to much faster and higher fidelity results. When combined with high throughput screening methods of physical, mechanical and microstructural property characterization, efficiency and accuracy of alloy design can be significantly improved.

36 MATERIALS SCIENCE↗

Innovations in underground hydrogen storage with multiphysics simulations, optimization, and monitoring: A review

Underground Hydrogen Storage (UHS) is a promising solution for large-scale energy storage and a critical component in advancing low-carbon energy system. Ensuring the safety and efficiency of UHS necessitates a comprehensive understanding of multiphysical interactions driven by cyclic pore fluid pressure fluctuations and coupled physicochemical processes. Here, this review examines the key geomechanical responses in UHS, including rock property variations under cyclic loading, fracture evolution and propagation, reservoir stress sensitivity, and fault stability. It also explores the impact of geochemical and microbial reactions on geomechanical characteristics. We provide an in-depth analysis of Thermal-Hydraulic-Mechanical-Chemical (THMC) coupled numerical simulations, highlighting their potential for future multi-scale modeling. Limitations of current machine learning (ML) approaches in addressing UHS challenges are highlighted, emphasizing the need for innovative ML-based methodologies. Operational strategies for hydrogen injection and production are reviewed, focusing on safety, efficiency, and economic viability. The necessity for multi-objective optimization (MOO) to balance storage efficiency, risk mitigation, and cost-effectiveness is also discussed. Current monitoring technologies are evaluated to ensure safe and efficient UHS operations. Finally, this review identifies critical knowledge gaps and underscores the importance of advancing geomechanical understanding under multiphysics-coupling. We highlight the need for ML-driven multiphysics theories, enhanced modeling techniques, and robust optimization strategies to improve UHS performance. This study serves as a comprehensive reference for future research and the large-scale implementation of UHS systems.

25 ENERGY STORAGE↗

Research and Development Priorities for Silicon Photovoltaic Module Recycling to Support a Circular Economy

Large-scale deployment of photovoltaic (PV) modules has considerably increased in recent decades. Given an estimated lifetime of 30 years, the challenge of how to handle large volumes of end-of-life PV modules is starting to emerge. In this Perspective, we assess the global status of practice and knowledge for end-of-life management for crystalline silicon PV modules. We focus in particular on module recycling, a key aspect in the circular economy of photovoltaic panels. We recommend research and development to reduce recycling costs and environmental impacts compared to disposal while maximizing material recovery. We suggest that the recovery of high-value silicon is more advantageous than the recovery of intact silicon wafers. This approach requires the identification of contaminants and the design of purification processes for recovered silicon. The environmental and economic impacts of recycling practices should be explored with techno–economic analyses and life-cycle assessments to optimize solutions and minimize trade-offs. As photovoltaic technology advances rapidly, it is important for the recycling industry to plan adaptable recycling infrastructure.

c-Si↗

Sustainable Water Management: Understanding the Socioeconomic and Cultural Dimensions

With the pressing challenges of water scarcity and pollution, achieving sustainable water management is imperative for promoting long-term development. Therefore, this paper aims to examine the socio-economic and cultural factors that shape the sustainability of water management strategies in Brazil and Portugal. This study highlights various factors that influence water management, including robust legal frameworks, socio-economic disparities, cultural practices, agricultural water usage, knowledge sharing, public participation, climate change resilience, water scarcity risks, industrial water consumption, and urbanization. By conducting a SWOT analysis of water management strategies, this research synthesizes information through an extensive literature review, encompassing the legal frameworks, policies, and implemented strategies in both countries. Additionally, it investigates comparative studies among Brazil, Portugal, and other European nations to facilitate the exchange of knowledge and experiences in water management practices. The findings of this study offer valuable insights into the strengths, weaknesses, opportunities, and threats associated with water management strategies in Brazil and Portugal, thereby guiding the development of tailored policies and strategies that foster sustainability in water resource management. Additionally, the research highlights the role of digital transformation in optimizing water management practices. By integrating socio-economic, cultural, and digital factors, this study contributes to effective and sustainable water management in Brazil and Portugal, ensuring responsible utilization and preservation of water resources.

Santos, Eleonora↗

A sustainable cobalt separation with validation by techno-economic analysis and life-cycle assessment

Sustainable, cost-effective cobalt/nickel separations chemistry contributes to the realization of economically competitive lithium-ion battery recycling, as well as primary mining of cobalt and nickel. Such improvements can address supply chain challenges for cobalt, a critical element. Herein, we disclose a simple method for separating Co/Ni by second coordination-sphere molecular recognition. Selective cobalt precipitation is achieved using carbonate ions in an ammonia solution due to the outer-sphere, hydrogen bonding interactions between [Co(NH 3 ) 6 ] 3+ and CO 3 2− , evaluated with density functional theory calculations. We demonstrate this method on mixtures of Co/Ni chlorides comprising a 10-fold excess of Ni and provide comparisons with ore-processing systems. High purities (99.4(3)% Co; 98.2(4)% Ni) and recoveries (77(8)% Co; ∼100% Ni) were observed for both Co- and Ni-enriched products using optimized conditions. In conclusion, this method is potentially economically competitive based on initial techno-economic analysis (TEA) and life-cycle assessment (LCA) that also illustrate advantages in terms of sustainability.

cobalt↗