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At least 163 records · Page 9

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Net Electronic Charge as an Effective Electronic Descriptor for Oxygen Release and Transport Properties of SrFeO 3 -based Oxygen Sorbents

Perovskite oxides, as oxygen sorbents, exhibit excellent potential in thermochemical redox applications such as chemical looping air separation (CLAS), resulting from their excellent redox properties and high tunability. The structural and compositional flexibility of perovskites, while making these mixed oxides highly versatile, also poses challenges for their design and optimization. Moreover, the elevated operating temperature and dynamic oxygen partial pressure swings during redox processes add additional complications for oxygen sorbent design. From a fundamental standpoint, finding simple yet effective descriptors for the effect of cation substitutions on oxygen sorbents’ redox and oxygen transport properties are of significant importance for rational optimization of perovskite-based oxygen sorbents. In the present study, a series of A/B-site-doped SrFeO 3-δ perovskites are investigated using density functional theory (DFT) + U simulations. From these simulations, an effective electronic structural descriptor, the net electronic charge (Δe) of oxygen anions, is extracted based on its excellent correlations with vacancy formation energy, experimentally derived oxygen capacity, and oxygen vacancy migration barrier. Overall, these findings provide an effective tool to correlate the oxygen sorbents’ redox performances with a simple yet physically meaningful descriptor for rational design and optimization of perovskites in the context of CLAS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

An open source fast fluid dynamics model for data center thermal management

Although computational fluid dynamics (CFD) has been widely adopted to improve data center thermal management, the high computational demand limits its applications, such as multivariate optimal design and operation. Fast fluid dynamics (FFD), which has been applied for fast airflow simulation, shows great potential. However, few research applied FFD for optimal design and operation of data center thermal management. This research improves the FFD model for data centers and conducts a comprehensive evaluation and demonstration. First, the FFD model is improved by solving the advection and diffusion equations together using an upwind scheme instead of a semi-Lagrangian advection solver in the conventional FFD model. Second, new features for data centers are added, such as a pressure correction method to simulate plenum airflow and dynamic boundary conditions for IT racks. The new FFD model is first validated with two indoor environment cases and the results show that the new FFD model has slightly better overall prediction accuracy and faster speed compared to the conventional FFD model. It is also observed that both FFD models achieve acceptable accuracy, except for a few localized disparities with experimental data, which might be due to simplified handling of turbulence viscosity near the boundaries. Furthermore, validation with a real data center shows that the FFD model achieves a similar level of accuracy as CFD when compared to the experimental measurements with some level of uncertainties. It is then demonstrated for data center optimal design and operation, which saves 53.4–58.8% of annual energy while still meeting the thermal requirements. In conclusion, with a much faster speed and comparable accuracy compared to CFD, the FFD model parallelized on a graphics processing unit is promising for practical model-based data center early design and operation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

A Simplified Building Modeling Approach for Identifying Whole Building Retrofits

Building Energy Modeling (BEM) is an effective strategy for optimizing new and retrofit building design, evaluating its energy savings potential and rating its energy performance. However, because of the complexity and expense of modeling, only a small percentage of buildings are simulated. Over 80% of buildings are <25,000 ft2, and the cost associated with BEM can be a big deterrent for reaching this subsector, which usually ends up complying with energy codes and qualifying for incentives using prescriptive measures or generalized design guides. Similarly, efficiency considerations for small building retrofits are often identified through deemed measures or Technical Reference Manuals, which though a scalable and convenient approach, can limit innovation in design and optimization of measures. Simplification of the modeling process, where appropriate, can lead to increased energy savings and more informed decision making. This paper will discuss the development of a ruleset for a simplified approach based on the Performance Rating Method (PRM) contained in ASHRAE Standard 90.1. The approach aims to simplify and lower the cost of the energy modeling process in a controlled and documented manner. An anticipated outcome is an increased use of BEM and its effectiveness in the design, retrofit and operation of commercial buildings. In addition, simplification of the modeling process will result in fewer errors from misinterpretations of both program requirements and program intent in simulation software. The paper will discuss the need and advantages of a simplified modeling approach for whole building retrofits and the technical process for achieving the same.

Goel, Supriya↗

DOE OSTI2024

Autonomous online optimization of a closed-circuit reverse osmosis system

As freshwater becomes increasingly scarce, many industrial and municipal water utilities look at premise-scale water treatment and reuse to meet water demand. Closed-circuit reverse osmosis (CCRO) has been proposed as a promising process design to do so. This sequencing batch process enables operation at higher brine salinity levels by means of a recycle flow. Optimal operation requires that the maximum salinity level at the membrane surface represents an optimal trade-off between brine disposal costs and energy efficiency. This maximum salinity level may change over time as the feed water composition changes and electricity markets fluctuate. In this article, we present the results of the experimental evaluation of an automatic technique for continuous online optimization, known as extremum seeking control. This technique has a long history in the process control community but has received little traction so far in the water industry. We modify this technique to enable its use for online optimization of CCRO, specifically to account for its sequential batch operation. We challenge the optimization schemes through several experimental tests and illustrate the advantages and drawbacks of extremum-seeking control.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Potential safety impacts associated with production of gaseous PuF 6 due to reactions between 3013-compliant PuO 2 with Novec TM 1230 at temperature

A part of the NNSA/SRNS Surplus Plutonium Disposition (SPD) project is a planned expansion of an existing facility with capabilities to handle, process, package, and characterize large amounts of plutonium oxide materials for permanent disposition at WIPP. The facility design for this future processing capability will include glovebox operations, HEPA filters, and exhaust/ventilation systems. An NNSA review of the facility support systems included comments on the potential residual reactivity of previously-stabilized PuO 2 , and on the possibility of chemical interactions between stabilized PuO 2 and a new fire suppressant (Novec TM 1230), a replacement for chlorinated/brominated compounds such as HALON TM , to be employed in the event of a room/glovebox fire where PuO 2 will be processed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

FCIC Task 5--Preprocessing

the objective of this project is to develop science-based design and operation principles (as informed by TEA and LCA), which result in preprocessing units to operate predictably and reliably, and are capable of scalable performance.

09 BIOMASS FUELS↗

DOE OSTI2022

3D Reality Energy Modeling Software

The team will combine Bentley Systems’ ContextCapture and extend Oak Ridge National Laboratory’s building energy modeling capabilities in order to create digital twins of buildings that allow simulation-informed improvement for energy efficiency and demand response in the design and operation of the built environment. Bentley Systems’ ContextCapture software processes data from 3D laser scanning and photographs (through photogrammetry) to create a photorealistic, 3D mesh with a scale of individual objects to building to city-sized. This capability easily provides city-level visualization models and platforms where sustainable design alternatives are readily evaluated. Oak Ridge National Laboratory (ORNL) serves the U.S. Dept. of Energy (DOE) as one of three core laboratories developing building energy modeling tools EnergyPlus and OpenStudio. ORNL’s AutoBEM software (bit.ly/AutoBEM) can process imagery (satellite, aerial, and street level), LiDAR, cartographic layers, tax assessor’s data, and other data sources to extract building footprints, height, window-to-wall ratio, building type, vintage, and other building properties. AutoBEM has created 178,368 building energy models that were empirically validated with 15-minute whole-building electrical data from a utility.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Color Sensor Comparison for Solvent Extraction Processes

Idaho National Laboratory is building Beartooth, a test bed to advance research into nuclear fuel cycle reprocessing. This test bed will give researchers the opportunity to study solvent extraction processes. Beartooth extraction operations will include the use of centrifugal contactors designed for the recovery and purification of special nuclear material from spent fuel. This new test bed facility provides researchers with the opportunity to study innovative technologies. As part of that initiative, this project will integrate non-traditional (atypical to a solvent extraction process) measurement sensors into a system of contactors to determine the state-of-health. These non-traditional sensors have the potential to enhance nuclear safeguarding efforts and other process activities. The non-traditional sensors include accelerometers, acoustic microphones, colorimetric, pH, conductivity, viscosity, density, and infrared cameras. This report documents the testing and evaluation of two different colorimetric RGB sensors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Comparative Energetics of Various Membrane Distillation Configurations and Guidelines for Design and Operation

This paper presents a comparative performance study of single-stage desalination processes with major configurations of membrane distillation (MD) modules. MD modules covered in this study are (a) direct contact MD (DCMD), (b) vacuum MD (VMD), (c) sweeping gas MD (SGMD), and (d) air gap MD (AGMD). MD-based desalination processes are simulated with rigorous theoretical MD models supported by molecular thermodynamic property models for the accurate calculation of performance metrics. The performance metrics considered in MD systems are permeate flux and energy efficiency, i.e., gained output ratio (GOR). A general criterion is established to determine the critical length of these four MDs (at fixed width) for the feasible operation of desalination in a wide range of feed salinities. The length of DCMD and VMD is restricted by the feed salinity and permeate flux, respectively, while relatively large AGMD and SGMD are allowed. The sensitivity of GOR flux with respect to permeate conditions is investigated for different MD configurations. AGMD outperforms other configurations in terms of energy efficiency, while VMD reveals the highest permeate production. With larger MD modules, utilization of thermal energy supplied by the hot feed for evaporation is in the order of VMD > AGMD > SGMD > DCMD. Simulation results highlight that energy efficiency of the overall desalination process relies on the efficient recovery of spent for evaporation, suggesting potential improvement in energy efficiency for VMD-based desalination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

New Designed Containers for Activated ILW from NPP Decommissioning - 20208

The paper focuses on packaging of dismantled and fragmented reactor components into containers and their transport to their storage and/or disposal facility within the immediate dismantling strategy applied on decommissioning of nuclear power plant (NPP) finally shutdown after standard operation. The main purpose of the paper is to present the process of design, manufacture, testing and use of new transport and storage containers for activated intermediate level waste (ILW) from V1 NPP decommissioning at Jaslovske Bohunice site. Legislation conditions, container selection process, requirements on their design and manufacture, scope of associated licensing documentation and technical procedures applied up to their use on site are described in detail. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Fabrication and Testing of DOE Standard Canister Closure Leak Test Assembly

DOE manages over 300 types of spent nuclear fuel (SNF), many of which are located at the Idaho National Laboratory (INL) site. Managing this large variety of SNF for storage, transportation, and disposal poses a challenge to DOE. The Idaho Cleanup Project and INL are collaborating on the DOE SNF Road-Ready Demonstration (“Road-Ready Demonstration”), which will develop and demonstrate the designs, technology, processes, and regulatory framework for packaging DOE-managed SNF for “road-ready dry storage.” Road-ready dry storage is an SNF management concept in which SNF is packaged into dry, sealed canisters that are then placed in onsite storage in anticipation of later transport and disposition. The forward-looking goal of the Road-Ready Demonstration is to establish the foundation for a large-scale road-ready dry storage program at the INL site. In support of establishing a large-scale road-ready dry storage program at the INL site, the Road-Ready Demonstration will first package Fort St. Vrain SNF currently in dry storage at INL into several DOE Standard Canisters (DOESCs). These DOESCs will in turn be loaded into another containment similar to commercial multi-purpose canisters. This multi-purpose canister will then be compatible with a transportation or storage system, such as a storage cask for interim storage or transportation package for offsite transport. These DOESCs will remain sealed over the course of their storage, transportation, and applicable disposal functions. The closure process for the DOESC will include fuel and basket loading, welding, inspection, leak testing, and, if needed, repair. As a follow-up to previous discussions on the design of the DOE Closure Leak Test Assembly (LTA), this report describes recent fabrication and testing efforts performed at INL. DOESCs are sealed by two sequential gas tungsten arc welds, both of which are performed by remotely operated and semiautomatic welding systems. The first weld is a circumferential pipe weld that completes the assembly of the canister body and lid assembly. The second and final closure weld attaches the vent plug to the vent socket via a butt joint. After the second weld is performed, the welds are helium leak tested using an evacuated envelope technique. The LTA was designed for both remote and manual operation. This report describes the fabrication and performance testing associated with the evacuated envelope technique. INL staff designed, fabricated, and tested the LTA at INL facilities. This testing included establishing technique and system sensitivities in accordance with ASME and American National Standards Institute N14.5 requirements. Forthcoming work will cover such areas as design optimization, process and personnel qualification, and implementation in Road-Ready Demonstration operations.

42 ENGINEERING↗

DOE OSTI2023

Fabrication and Testing of DOE Standard Canister Closure Leak Test Assembly – 24139

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Pump-and-Treat Impacts on Aquifer Conditions and the Development of System-Wide Performance Strategies - 20377

The pump-and-treat (P and T) system on the Hanford Site's Central Plateau currently treats multiple contaminants within the 200-ZP-1 operable unit, including nitrate through its biological treatment processes. Although it was initially designed to support the 200-ZP-1 Remedial Action Objectives, the P and T system has evolved in use to address contaminants from other regions of the aquifer as well. The P and T influents are biogeochemically distinct, treating groundwaters with elevated concentrations of cyanide, uranium, technetium-99, and nitrate. Given the varying geochemical signatures from current and potential future sources, operational conditions, and amendments considered for treatment processes, there is a need to identify the impacts that the P and T effluent has on the aquifer, and how the aquifer affects P and T performance. To this end, laboratory efforts have focused on characterizing P and T effluent and its biogeochemical effects on the sediments through a series repacked column experiments. The P and T effluent is rich in particulate matter. A systematic inspection of this particulate matter in the P and T effluent showed significant levels of manganese/iron oxides, calcite crystals, relatively large organic matter molecules, and biomass. Therefore, the column experiments were designed and conducted for four different treatment systems: artificial groundwater, filtered P and T effluent, non-filtered P and T effluent, and chlorinated P and T effluent. Different levels of microbiologically- and geochemically-induced changes in the columns occurred and modified the flow systems. For example, physical filtration occurred in the sediments where the particulate material had accumulated in the top portion of the column. Reactive transport modeling of the laboratory experiments is being carried out so that the reaction network can be extrapolated to the field scale. These simulations will provide predictive evaluations of system performance based on P and T operational changes and aquifer mass loading and capacity estimates. This information can be used to address combined subsurface and operational challenges, such as the need for frequent well redevelopment to maintain injection capacity. This information also provides the technical basis for decisions related to the P and T system operations that support remedy optimization efforts and short- and long-term remedy decisions related to multiple operable units on the Hanford Site Central Plateau. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

High Temperature Anode Recycle Blower for Solid Oxide Fuel Cell, Phase II (Final Report)

Broad commercialization of solid oxide fuel cells (SOFCs) requires anode offgas recycle blowers (ARCB) that are specifically designed for handling the challenging operating conditions presented by the SOFC process gases. Otherwise, they can be susceptible to frequent maintenance, low reliability, and short life. This report presents details of a DOE-funded Phase II effort conducted by Mohawk Innovative Technology, Inc. (MiTi®) for the development and testing of an oil-free, low cost, high-temperature centrifugal ARCB based on compliant foil bearing (CFB) technology for support of a 100 kW solid oxide fuel cell power plant. This Phase II builds on the results of a successful Phase I development project that resulted in the demonstration of a low TRL-6 prototype, shown in Figure 1. This Phase II final report presents design improvements over the Phase I prototype, presents the assembled test ARCBs, and discusses the advantages of this novel technology, particularly its long life and maintenance-free operation, which are derived from the use of CFBs. Also included are preliminary techno-economic analysis considerations for cost-effective deployment of the technology. The specific objectives of this project, as stated in the statement of program objectives (SOPO) were 1) to follow the methodology of design for manufacturing (or manufacturability) and assembly for implementing improvements identified as part of the Phase I effort with the purpose of reducing cost, enabling mass production, and facilitating the commercialization of a revised ARCB design, and 2) to fabricate four complete ARCB units based on the revised design and demonstrating their performance in both a laboratory setting and in an actual SOFC power plant. Execution of this SOPO would be supported by a number of technical tasks resulting in the fabrication and testing of the prototypes. To this end, MiTi continued the teaming relationship started during Phase I of the program with subcontracting partner FuelCell Energy, Inc. (FCE), which integrated (under a parallel effort funded by DOE Award DE-FE0026199) a modular 200 kWe SOFC power plant. MiTi and FCE coordinated to ultimately incorporate one of MiTi’s ARCB prototypes into one of the 100 kWe SOFC Modular Power Blocks (MPB) that constitute the core of FCE’s SOFC power plant for in-situ long-duration testing. Additionally, MiTi would explore the scalability and extendibility of the technology to other applications, as well as conduct a basic techno-economic analysis.

03 NATURAL GAS↗

DOE OSTI2024

A holistic platform for accelerating sorbent-based carbon capture

Abstract Reducing carbon dioxide (CO 2 ) emissions urgently requires the large-scale deployment of carbon-capture technologies. These technologies must separate CO 2 from various sources and deliver it to different sinks 1,2 . The quest for optimal solutions for specific source–sink pairs is a complex, multi-objective challenge involving multiple stakeholders and depends on social, economic and regional contexts. Currently, research follows a sequential approach: chemists focus on materials design 3 and engineers on optimizing processes 4,5 , which are then operated at a scale that impacts the economy and the environment. Assessing these impacts, such as the greenhouse gas emissions over the plant’s lifetime, is typically one of the final steps 6 . Here we introduce the PrISMa (Process-Informed design of tailor-made Sorbent Materials) platform, which integrates materials, process design, techno-economics and life-cycle assessment. We compare more than 60 case studies capturing CO 2 from various sources in 5 global regions using different technologies. The platform simultaneously informs various stakeholders about the cost-effectiveness of technologies, process configurations and locations, reveals the molecular characteristics of the top-performing sorbents, and provides insights on environmental impacts, co-benefits and trade-offs. By uniting stakeholders at an early research stage, PrISMa accelerates carbon-capture technology development during this critical period as we aim for a net-zero world.

Science & Technology - Other Topics↗

DOE OSTI2021

The IDAES process modeling framework and model library—Flexibility for process simulation and optimization

Abstract Energy systems and manufacturing processes of the 21st century are becoming increasingly dynamic and interconnected, which require new capabilities to effectively model and optimize their design and operations. Such next generation computational tools must leverage state‐of‐the‐art techniques in optimization and be able to rapidly incorporate new advances. To address these requirements, we have developed the Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform, which builds on the strengths of both process simulators (model libraries) and algebraic modeling languages (advanced solvers). This paper specifically presents the IDAES Core Modeling Framework (IDAES‐CMF), along with a case study demonstrating the application of the framework to solve process optimization problems. Capabilities provided by this framework include a flexible, modifiable, open‐source platform for optimization of process flowsheets utilizing state‐of‐the‐art solvers and solution techniques, fully open and extensible libraries of dynamic unit operations models and thermophysical property models, and integrated support for superstructure‐based conceptual design and optimization under uncertainty.

42 ENGINEERING↗

DOE OSTI2020

Challenges and Solutions in Operation and Lay-Up of the Modular Caustic- Side Solvent Extraction Unit - 20078

The Modular Caustic-Side Solvent Extraction (CSSX) Unit (MCU) was designed and constructed to provide interim salt waste processing so that the Liquid Waste Disposition Program (LWDP) could continue waste removal and tank closure until start-up of the Salt Waste Processing Facility (SWPF). MCU processes Clarified Salt Solution (CSS), or salt solution (SS) that has undergone actinide removal/filtration, to produce two waste streams: the cesium laden Strip Effluent (SE), which is incorporated into glass at the Defense Waste Processing Facility (DWPF), and the cesium depleted Decontaminated SS (DSS), which is incorporated into grout at the Saltstone Production Facility (SPF). MCU completed start-up in 2008 with an initial operating life of 3 years and design life of 5 years. Prior to reaching the end of the design life, multiple critical components were upgraded and/or replaced to mitigate risks associated with any delays in SWPF start-up. During the remainder of operation (until June 2019), MCU was challenged to maximize processing with minimal additional modifications to repair/improve aging infrastructure, while maintaining low levels of risk to workers and the environment. Notable challenges during the extended operating life of the facility involved both mechanical and operational issues. Two of the most significant issues were the increased frequency of Process Vessel Ventilation (PVV) High Efficiency Particulate Air (HEPA) filter change-outs and the biofouling of the SE coalescer (SEC). The major impacts of both issues were that replacement of these components 1) resulted in high exposure to workers, and 2) required substantial downtime, thus hindering achievement of processing goals. PVV HEPA filter replacements are required based on dose rate and differential pressure (dP) limits. After introducing a higher-curie feed to MCU, the operating time between change outs was reduced by approximately half. SEC replacements are required based on dP limits. After restarting from an extended outage, the operating life of the SEC was significantly reduced by more than half due to biofouling. As a result of extensive troubleshooting and process improvements, the facility was able to recover performance and extend the operating life of the PVV HEPA filters and the SEC media. Through troubleshooting both of these issues, the facility was also able to learn from prior experience and adapt in order to minimize down time and maintain throughput. Although the facility took advantage of short periods of downtime to perform nonintrusive troubleshooting and minor corrective/preventative maintenance activities, longer outages were periodically required for corrective maintenance involving process cell entry. During these outages, remote tools and specialized shield plates were employed to minimize dose to workers. Mock-ups of non-routine maintenance activities were critical to early identification of potential issues and improvements, which shortened outage duration. Consistent with the facility's operational strategy, evolutions needed for MCU layup were identified and sequenced to ensure safe conditions within the facility, meet pre-defined criteria for lay-up configuration, and protect workers, while minimizing the impact to SWPF integration. De-inventory and flushing of process areas was prioritized so that the total residual inventory was reduced as efficiently as possible. This paper discusses lessons learned and best practices from troubleshooting unique issues, performing complex maintenance activities, and implementing a layup strategy that best supports the overall system mission. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Mjölnir: a miniature triaxial rock deformation apparatus for 4D synchrotron X-ray microtomography

An X-ray transparent experimental triaxial rock deformation apparatus, here named 'Mjölnir', enables investigations of brittle-style rock deformation and failure, as well as coupled thermal, chemical and mechanical processes relevant to a range of Earth subsurface environments. Designed to operate with cylindrical samples up to 3.2 mm outside-diameter and up to 10 mm length, Mjölnir can attain up to 50 MPa confining pressure and in excess of 600 MPa axial load. The addition of heaters extends the experimental range to temperatures up to 140°C. Deployment of Mjolnir on synchrotron beamlines indicates that full 3D datasets may be acquired in a few seconds to a few minutes, meaning full 4D investigations of deformation processes can be undertaken. Mjölnir is constructed from readily available materials and components and complete technical drawings are included in the supporting information.

47 OTHER INSTRUMENTATION↗