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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A New Process for Carbon Dioxide Conversion to Fuel

In this project, TDA developed a new mixed metal oxide-based sorbent that converts CO 2 (captured from coal fired power plant) to CO, which can then be combined with renewable H 2 generated by water electrolysis to produce different liquid fuels. TDA’s absorbent-based CO 2 conversion process uses a redox process, which splits the reverse water gas shift reaction steps into two stages: CO 2 reduction to CO and H 2 oxidation to H 2 O and eliminates the equilibrium limitations. The CO produced in the two-stage reactor system can then be further reacted with renewable H 2 to produce methanol, naphtha, diesel, or gasoline. We worked with the Gas Technology Institute (GTI) and Advanced Power & Energy Program (APEP) of University of California, Irvine (UCI) to design and develop the liquid fuel synthesis process that is built around this new material. We demonstrated the techno-economic viability of the new sorbent based redox process to convert CO 2 into synthesis gas by: 1) demonstrating continuous carbon dioxide reduction in a prototype test system for over 500 hours while converting up to 0.4 kg CO 2 /day. With the successful completion of the R&D effort, the technology is now ready for a larger pilot-scale demonstration and the technology readiness has been raised from TRL 3 to TRL 5. In collaboration UCI, we also completed a high-fidelity process design and economic analysis. The required selling price (RSP) for methanol (Case 1 H2-MeOH) is $\$$3.06/gal, naphtha and diesel (Case 2 H2-FT) are $\$$6.21/gal and $\$$8.91/gal, and for gasoline (Case 3 H2-MTG) is $\$$6.96/gal on a 2011 dollar basis. To put these costs in perspective, the recent (June 2020) U.S. price for methanol made from natural gas is about $\$$1.19/gal according to Methanex, a major methanol producer in North America. The recent (June 2, 2020) California prices for gasoline and diesel with California’s strict specifications are $\$$3.35/gal and $\$$3.73/gal according to the U.S. Energy Information Agency. On the other hand, it should be noted that the gasoline and diesel produced by the designs of Case 2 and Case 3 would be both nitrogen and sulfur free. These RSPs are based on a cost of imported electricity of $\$$64/MWh based on the low-end current wind generated electricity cost (Genevieve and Ramsden, Wind Electrolysis: Hydrogen Cost Optimization, Technical Report, June 2011, NREL/TP-5600-50408). This cost is by far the largest component of the variable costs used in computing the RSPs. The cost of the imported electricity has to approach zero for the RSP to be competitive for methanol produced in Case 1 and naphtha and diesel produced in Case 2 while the cost of electricity has to be less than $\$$10/MWh for gasoline produced in Case 3.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

A Novel Process for Carbon Dioxide Conversion to Fuel

In this project, TDA developed a new mixed metal oxide-based sorbent that converts CO2 (captured from coal fired power plants) to CO, which can then be combined with renewable H2 generated by water electrolysis or H2 from steam methane reforming to produce different liquid fuels. TDA’s absorbent-based CO2 conversion process uses a redox process, which splits the catalytic reforming of methane with CO2 reaction into two stages: CO2 reduction to CO and CH4 reforming into H2 and CO which eliminates the equilibrium limitations. The CO produced in the two-stage reactor system can then be further reacted with renewable H2 to produce methanol, naphtha, diesel, or gasoline. We worked with the Advanced Power & Energy Program (APEP) of University of California, Irvine (UCI) to design and develop the liquid fuel synthesis process that is built around this new material. We demonstrated the techno-economic viability of the new sorbent based redox process to convert CO2 into synthesis gas by demonstrating continuous carbon dioxide reduction in a prototype test system for over 585 hours while converting up to 10 kg CO2/day. With the successful completion of the R&D effort, the technology is now ready for a larger pilot-scale demonstration and the technology readiness has been raised from TRL 3 to TRL 5. In collaboration with UCI, we completed a high-fidelity process design and economic analysis. The required sale price (RSP) for gasoline (Case 1 NG-MTG) is $4.91/gal and naphtha and diesel (Case 2 NG-FT) are $4.23/gal and $6.07/gal, respectively, on a 2011 dollar basis. To put these costs in perspective, the California prices in current dollars (with its strict specifications) for regular grade gasoline from last year to current year have varied from a low of $3.10/gal in January 2021 to a high of $5.76/gal in March 2022, while prices for diesel from last year to current year have varied from a low of $3.40/gal in January 2021 to a high of $6.41/gal in May 2022 according to the U.S. Energy Information Agency data. It should be noted that the gasoline and diesel produced by these designs of Case 1 and Case 2 would be of very high quality and both nitrogen and sulfur free. These RSPs are based on a cost of imported electricity of $64/MWh based on the low-end current wind generated electricity cost (Genevieve 2011). This cost is by far the largest component of the variable costs used in computing the RSPs. A sensitivity analysis of these RSPs to the cost of imported electricity shows that the cost of the imported electricity has a significant effect on the RSPs. The life cycle analysis (LCA) shows that the total cradle-to-gate CO2 emissions for both liquid fuels (diesel and gasoline) were negative, indicating that overall more CO2 is consumed than released during production of the fuel from CO2 feed stack for both cases (-296 kgCO2 per MT gasoline for Case 1 and -705 kgCO2 per MT diesel for Case 2). On a cradle-to-grave comparison, the use of diesel produced using TDA’s process (2,457 kgCO2 per MT diesel) would release 37.6% less CO2 compared to petroleum based diesel (3,937 kgCO2 per MT diesel) while the use of gasoline produced using TDA’s process (2,792 kgCO2 per MT gasoline) would release 29.3% less CO2 compared to petroleum based gasoline (3,946 kgCO2 per MT gasoline). With the successful completion of the R&D effort, the technology is now ready for a bench-scale demonstration and the technology readiness has been raised from TRL 3 (Analytical and experimental critical function and/or characteristic proof of concept) to TRL 5 (Laboratory scale similar system validation in relevant environment).

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

U.S. Department of Energy Hydrogen Program: 2021 Annual Merit Review and Peer Evaluation Report; June 7-11, 2021

This document summarizes peer review comments and scores for the fiscal year 2021 U.S. Department of Energy (DOE) Hydrogen Program Annual Merit Review and Peer Evaluation Meeting (AMR), held virtually June 7-11, 2021. In response to direction from various stakeholders, including the National Academies, this review process provides project- and program-level evaluations of DOE-funded research, development, demonstration, and analysis of hydrogen and fuel cell technologies.

AMR↗
DOE OSTI2024

U.S. Department of Energy Hydrogen Program: 2023 Annual Merit Review and Peer Evaluation Report; June 6-9, 2023

This document summarizes peer review comments and scores for the fiscal year 2023 U.S. Department of Energy (DOE) Hydrogen Program Annual Merit Review and Peer Evaluation Meeting (AMR), held June 6-9, 2023. This review process provides project- and program-level evaluations of DOE-funded research, development, demonstration, and analysis of hydrogen and fuel cell technologies.

AMR↗
DOE OSTI2025

AC-LGADs Fermilab front-end electronics characterization

Here, we characterized the front-end electronics used to process high-frequency signals from low-gain avalanche diodes (LGADs) at the Fermilab Test Beam Facility. LGADs are silicon detectors employed for charged particle tracking, offering exceptional spatial and temporal resolution. The purpose of this characterization was to understand how the time resolution is influenced by the front-end electronics. To achieve this, we developed a setup capable of generating input signals with varying amplitudes. The output results demonstrated that signal processing by the front-end electronics plays a crucial role in enhancing time resolution. We showed that the time resolution achieved by the FEE board is better than 2 p s at the 1 σ level.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Development of Stable Solid Oxide Electrolysis Cells for Low-Cost Hydrogen Production

The project objective was to demonstrate a solid oxide cell-based steam electrolysis stack that exhibits robustness, reliability, endurance, hydrogen purity, and produces hydrogen at elevated pressure of 2 to 3 bar. Innovative materials and processing methods were evaluated to improve degradation characteristics. Performance improvement focused on nearly all layers involved in the cell and stack assembly. Primary attention was paid to zirconia-ceria interface resistance control via sintering optimization and decrease in degradation from the oxygen electrode by evaluating low strontium (Sr) or Sr-free composition for both the oxygen electrode and current collection layer. Stack robustness was addressed by validating redox tolerance of fuel electrode, confirming capability of cells to survive repeated thermal cycles, studying the effect of pressure on performance and degradation, evaluating the effect of contamination on fuel and oxygen electrode performance and degradation, and identifying mitigation strategies to improve performance. The characterization included evaluation of electrochemical performance and stability followed by microstructural analysis. At the cell level, performance and stability improvements were achieved by incorporating a Sr-free oxygen electrode and a denser oxygen electrode barrier layer. At the stack level, pressurized operation reduces demand on first stage compression, the redox tolerant fuel electrode mitigates risk from service interruptions, and improvements to interconnect coating alleviate chromium (Cr) contamination effects. The denser barrier layer was achieved by adding a sintering aid to the samaria-doped ceria (SDC) composition that reduced sintering temperature by 150 °C. The resulting density was on par with the baseline SDC barrier layer density and the lower sintering temperature resulted in less resistive phase formation during sintering. Button cell tests did not demonstrate a change in performance when exposed to silicon (Si) or manganese (Mn) impurities to the fuel electrode and Cr impurity to the oxygen electrode. More detailed study however is warranted. The project addressed SOEC performance and stability at the cell and stack levels through a systematic approach to known sources of degradation that were combined and tested in three stack tests using an electrolyte supported cell design to allow for evaluation of a variety of fuel and oxygen electrode compositions. STK-82 and STK-83 had identical compositions. STK-100 incorporated the best materials and processing variables developed under this and concurrent projects, and was tested at elevated pressure in steam electrolysis. • STK-82 recovered performance after redox and thermal cycling, demonstrating the robustness of the stack and seals. It exhibited stable performance in testing for 500 hours in SOEC mode, followed by 300 hours of cycling between SOEC and SOFC tests. Degradation during SOEC operation was 1.8 %/ 1,000 hours. • STK-83 generated hydrogen at >80% steam conversion, and oxygen above 98.5 % purity during pressurized operation. Both hydrogen and oxygen were generated at 3 barg pressure without the use of a pressure vessel. In addition to balanced pressure, electrolysis operation at 1 bar differential pressure across anode and cathode was also demonstrated to substantial the robustness of the cell and seal. • STK-100 measured at initial ambient pressure conditions showed an area specific resistance of 1.1 ohm-cm 2 , and STK-83 had 1.3 ohm-cm 2 .

08 HYDROGEN↗
DOE OSTI2024

A Molten Salt Aerosol Spectroscopy Approach to Online Process Monitoring in Molten Salt Reactors

Recent research and development in molten salt reactors (MSRs) has led to many advanced reactor designs, many of which have demonstrations planned in the next decade. However, a significant challenge that must be overcome before liquid fueled MSRs become viable globally is nuclear material accountancy (NMA) and safeguards. Liquid-fueled MSRs are problematic to safeguards because the nuclear material is in the bulk phase, inventories are constantly changing, and there are potentially many outlet pathways that must be monitored, especially in designs with online chemical processing. At the Idaho National Laboratory, we have developed a process monitoring tool to circulate molten salt through a nebulizer and optical cell, where laser-induced breakdown spectroscopy (LIBS) and ultraviolet-visible (UV-VIS) are applied to track the elemental and oxidation states of the constituents in the salt aerosol. This approach has the potential to provide information on the actinides, fission products, and corrosion in the reactor or process. Preliminary testing in aqueous praseodymium chloride (PrCl3) and neodymium chloride (NdCl3) showed good sensitivity detection limits n developed calibration curves. Additional tests and analysis or ongoing in aqueous solutions while equipment is being scaled up for high temperature molten salt testing. Results for continued testing as well as a status of the molten salt design and anticipated commissioning will be presented.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2024

Development of Miniaturized High-Temperature Multi-Process Monitoring System

The main objective of this research program is to design, manufacture, and demonstrate a miniaturized, multi-process, monitoring system (mMPMS) for boiler condition management and easy system deployment to obtain a higher spatial resolution. This system will facilitate a Condition-Based Maintenance (CBM) philosophy that actively monitors the health of assets to predict and prevent failures and maximize availability and generating capacity at a reduced cost. CBM systems can provide boiler data that the advanced process control (APC) system can utilize for plant performance optimization, which is increasingly relevant as coal power plants shift from predominantly base-load operation to predominantly transient operation involving large load swings.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Levels of Digitization, Digitalization, and Automation for Advanced Reactors

Much has been written about levels of automation (LOA), but comparatively little has been written about levels of digitization (LODi) and levels of digitalization (LODa). Digitization is a digital representation of analog information and is typical of migration from analog to digital control systems, digitalization involves enhancing the functionality of digital information, and automation changes control from humans to machines. Each of these technology implementations has its own scales, and each forms a viable type of functionality that should be considered not as a continuum toward automation but rather as separate categories of solutions that meet the needs of advanced reactors. In this paper we develop separate LODi, LODa, and LOA scales and demonstrate how conflation of these technologies, using the example of computer-based procedures, can lead to confusion in the design process. With the race to develop advanced reactors, the surest metric of success and safety is proper consideration of the right technology requirements for different control systems.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Impact of Photon Recycling, Grain Boundaries, and Nonlinear Recombination on Energy Transport in Semiconductors

Energy carrier transport and recombination in semiconductors can be directly monitored with optical microscopy, revealing key insights into fundamental photophysics and informs efficient optoelectronic device design. Oftentimes, energy transport is measured by monitoring a time-resolved expanding carrier profile after optical excitation under a focused laser beam. Although this approach has gained widespread adoption, the presence of competing dynamic processes, such as diffusion and photon recycling, has made it difficult to accurately extract and understand important semiconductor properties. Here, we develop and apply a new framework for modeling energy transport in both excitonic and free carrier semiconductors. Here, we demonstrate that processes such as nonlinear recombination and photon recycling can have a significant impact on the apparent energy carrier profiles, especially for excitonic materials with short radiative lifetimes. Additionally, we find that film microstructure can lead to unique transport profiles that strongly depends on material boundary behavior and the difference between feature size and diffusion length. Here, these findings provide a deeper understanding of energy transport in semiconducting materials and provide new strategies for the design and optimization of electronic and optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Integrated Process Testing of MSR Salt Spill Accidents

Part of the licensing process for new nuclear reactors requires vendors to assess the potential consequences of identified accident scenarios using accident progression modeling. The accident scenario that will likely be evaluated by all molten salt reactor (MSR) developers is a spill of radionuclide-bearing fuel salt onto the reactor containment floor (i.e., a salt spill accident). The development of accident progression models requires experimental data to inform which processes to incorporate, to enable the calculation of parameters to model these processes, and to validate the model predictions. The data should quantify the sensitivities of key processes (e.g., molten salt spreading, heat transfer, containment structure corrosion, radionuclide vaporization, and aerosol generation) towards the initial conditions of the spill, the ambient environment, and the features of the containment. In addition, results from integrated process tests that quantify coupled processes are required to validate systems-level models. This report documents results from integrated process tests conducted on simulated molten salt spill accidents. The generated experimental data simultaneously quantify the heat transfer behavior of the spilled salt, compositional changes to the bulk salt, and the release of surrogate fission products from the spilled salt as aerosol particles. All tests that were conducted used FLiNaK doped with surrogate fission products, and the variables that were evaluated included the initial salt temperature and the concentration of surrogate fission products present in the salt. The major accomplishments of this work include identifying surrogate fuel salt compositions that provide insight into the dispersal behavior of radionuclides of potential significance to the source term, employing previously developed methods and measurement techniques to simultaneously measure key processes, generating data on the coupled processes of molten salt heat transfer and surrogate fission product release as aerosol particles, demonstrating new test methods for real-time monitoring of the flow rate of the spill and aerosol size quantification in an argon atmosphere, and developing a mass transfer model for cesium and iodine release from molten FLiNaK to provide insight into aerosol formation by vapor condensation. The same methodology applied herein can be employed to study different salt compositions of interest to MSR developers, different environmental conditions, and other variables that are relevant to postulated accident scenarios. The insights gained from these integrated process tests conducted at a laboratory scale will be incorporated into future integral effects tests conducted at an engineering scale.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Predictive modeling of a subcritical pulverized-coal power plant for optimization: Parameter estimation, validation, and application

As renewable power generation deployment increases, fossil fuel plants are increasingly required to operate more flexibly. Many coal-fired power plants were originally designed to operate at base load and do not operate optimally at partial load. Predictive first-principles plant-wide models can be employed to identify opportunities for flexibility improvements and diagnose low-load operating issues. This paper describes the application of the Institute for the Design of Advanced Energy Systems Integrated Platform (IDAES) to model and optimize flexible power plant operations. The key benefits of using IDAES are that it provides an open-source, fully equation-oriented modeling framework for efficient modular model construction, reuse, and customization, together with a mathematical optimization framework leveraging powerful, state-of-the-art solvers. The process systems engineering workflow from predictive process simulation to parameter estimation, model validation, and plant optimization is applicable to a variety of existing and next-generation energy systems as well as other chemical and environmental processes. Here, to demonstrate this capability, a physics-based, steady-state model was developed to improve full- and part-load performance of the Escalante Generating Station, a 245 MWe (net) subcritical pulverized coal-fired power plant owned and operated by Tri-State Generation and Transmission Association. Specifically, sixty-nine model parameters were simultaneously estimated from several months of operating data enabling prediction of flow rates, temperatures, pressures, and steam quality throughout the plant. The validated model was leveraged by Escalante to reduce the minimum operating load from 90 MW to 50 MW by diagnosing a low-load water-hammer issue, enabling coal usage and emissions reductions during periods of low power demand. Additionally, opportunities for heat rate reduction (i.e., efficiency improvement) through a steeper sliding-pressure approach to load-following and optimization of other boiler operating variables were also identified and quantified. For example, a potential efficiency improvement of 0.7 percentage points was observed at half-load operation.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

High-Speed Layup and Forming of Automotive Composite Components

This Project is focused on the design and manufacture of automotive components that meet functional and environmental requirements of an existing automotive application at a cost of ≤ $\$$11.00 per kilogram weight reduction. This project fosters the development of composite material technologies suitable for high volume automotive processes and run rates as well as industry workforce development with these technologies. Current automotive manufacturing involves utilizing steel or aluminum in sheet form which is rapidly stamped into components at rates up to 3600 per hour. The metallic sheets are available in many different thicknesses, strength levels, and manufacturing rates are reasonable independent of part size. While composite materials are available for use in automotive applications, the material cost, labor to manufacture and the processing of the waste far exceed the cost compared to metallic designs. Typical composite layer by layer layup procedures don’t meet the desired 60 second layup time that current automotive processes require and are also restricted by part size. Due to these factors, composites have not yet made advances into today’s high volume automotive applications. Industry partners DURA, BASF, Ford, and IACMI core innovation partner MSU collaborated to develop a manufacturing process technology that is capable of manufacturing composite blanks at high volume and independent of part size. IACMI core innovation partner Purdue provided FEA analysis and cost modelling. The objective of this project was to demonstrate a composite sheet layup and consolidation process that can be commercialized for high volume requirements, identify potential layup equipment suppliers, and develop a process of 60 second layup, forming, and trimming of a continuous fiber automotive component for the mainstream market.

42 ENGINEERING↗
DOE OSTI2020

DNA-assembled superconducting 3D nanoscale architectures

Studies of nanoscale superconducting structures have revealed various physical phenomena and led to the development of a wide range of applications. Most of these studies concentrated on one- and two-dimensional structures due to the lack of approaches for creation of fully engineered three-dimensional (3D) nanostructures. Here, we present a ‘bottom-up’ method to create 3D superconducting nanostructures with prescribed multiscale organization using DNA-based self-assembly methods. We assemble 3D DNA superlattices from octahedral DNA frames with incorporated nanoparticles, through connecting frames at their vertices, which result in cubic superlattices with a 48 nm unit cell. The superconductive superlattice is formed by converting a DNA superlattice first into highly-structured 3D silica scaffold, to turn it from a soft and liquid-environment dependent macromolecular construction into a solid structure, following by its coating with superconducting niobium (Nb). Through low-temperature electrical characterization we demonstrate that this process creates 3D arrays of Josephson junctions. This approach may be utilized in development of a variety of applications such as 3D Superconducting Quantum interference Devices (SQUIDs) for measurement of the magnetic field vector, highly sensitive Superconducting Quantum Interference Filters (SQIFs), and parametric amplifiers for quantum information systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Innovative Approaches to the Decommissioning of a Redundant Plutonium Processing Facility - 20147

At Sellafield, in the North West of the United Kingdom (UK), there are a number of redundant plutonium processing facilities. Over the past three decades several decommissioning strategies have been deployed to clean up these redundant facilities. Whilst there have been many successes previously reported, there remain many challenges. As previously presented at WM2017 (Paper Ref 17081) some of these challenges have recently been addressed through a new approach which introduced a number of innovations. The purpose of these innovations is to seek ways to significantly reduce risks to both decommissioning personnel and the environment by minimising the extent of physical 'hands on' decommissioning activities and by simplifying the waste production process. This paper provides an update on the progress of these innovations since 2017. Additionally, the paper also provides details of the new decommissioning technologies which have been introduced over the past 2 years to enable the most challenging aspects of the redundant plutonium processing facility to be decommissioned. These new decommissioning technologies address challenges associated with the preparation of process vessels and pipework to enable their safe in-situ size reduction by remote means: - New decommissioning techniques have been introduced to allow penetrations to be remotely cut into process vessels and pipework to provide a means of accessing and controlling the venting of any potential hydrogen gas present. - Additionally, a new large scale bespoke remote diamond wire cutting machine has been designed and manufactured to enable the process vessels to be size reduced in situ. Both of these new cutting technologies have involved collaborative working with specialist equipment suppliers including extensive development, trialling demonstration and commissioning prior to bringing the equipment into operational service. Several years of work have now culminated in reaching the final stages of decommissioning of the redundant plutonium processing facility with decommissioning of the final process vessels now underway and completion expected by the end of 2019. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Acid Etching‐Driven Self‐Assembly of Mn‐Shell Inducing Rock‐Salt Phase for Enhanced Single‐Crystal Ni‐Rich Cathodes

With the wide adoption of Li‐ion batteries, Ni‐rich cathode is considered as one of the most promising candidates of cathodes due to its high energy density and low cost. However, stability decreased with increasing Ni content in the Ni‐rich cathode. To solve this bottleneck, many strategies, such as coating, doping, surface modification, and special morphologies, have been developed. Herein, we introduce a groundbreaking approach for enhancing Ni‐rich cathode through an innovative acid etching process that promotes Mn shell self‐assembly, inducing a rock‐salt phase on the surface. This method not only simplifies the Ni‐rich cathode modification process, but also significantly improves the structural stability and electrochemical performance of Ni‐rich cathode. Our findings demonstrate that developed single‐crystal Ni‐rich cathode shows 3–34 % better stability compared to both commercial modified Ni‐rich cathode and unmodified counterparts. The unique Mn shell effectively mitigates reversible phase shifts during cycling, contributing to a remarkable enhancement in cycling stability. Additionally, this novel fabrication technique paves the way for cost‐effective production of high‐performance cathode materials, offering substantial benefits for lithium‐ion battery technology. And this study proves the potential of this method in advancing the design and development of durable, high‐capacity cathode materials for next‐generation batteries.

Ni-rich cathode↗
DOE OSTI2022

A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex

Using quantum algorithms to simulate complex physical processes and correlations in quantum matter has been a major direction of quantum computing research, towards the promise of a quantum advantage over classical approaches. In this work we develop a generalized quantum algorithm to simulate any dynamical process represented by either the operator sum representation or the Lindblad master equation. We then demonstrate the quantum algorithm by simulating the dynamics of the Fenna-Matthews-Olson (FMO) complex on the IBM QASM quantum simulator. This work represents a first demonstration of a quantum algorithm for open quantum dynamics with a moderately sophisticated dynamical process involving a realistic biological structure. We discuss the complexity of the quantum algorithm relative to the classical method for the same purpose, presenting a decisive query complexity advantage of the quantum approach based on the unique property of quantum measurement.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Implementation of the Glycolate Destruction Process with Sodium Permanganate in the Defense Waste Processing Facility (DWPF) - 20141

The Savannah River Site (SRS) seeks to replace formic acid with glycolic acid as a chemical reductant in the Defense Waste Processing Facility (DWPF), where borosilicate glass is mixed with high-level radioactive waste, melted at high temperatures, then poured into stainless steel canisters for safe storage. Prior research and development have demonstrated the feasibility and advantages of the new nitric-glycolic acid flowsheet over the current nitric-formic acid flowsheet to chemically adjust the radioactive sludge slurry waste in the Sludge Receipt and Adjustment Tank (SRAT) prior to vitrification. Use of glycolic acid reduces hydrogen and ammonia generation during the reduction process, thus reducing flammability hazards and purge requirements in the DWPF processing vessels. In addition, glycolic acid will support the new Salt Waste Processing Facility (SWPF) by allowing for receipt of higher volumes of waste due to reduction of flammable gases, increased boil-up rates in the vessels, and easing the processing of future sludge batches containing high levels of mercury. However, during DWPF operations, trace amounts of glycolate are anticipated to be entrained in the recycle stream and sent to the Concentration, Storage, and Transfer Facilities (CSTF) via the Recycle Collection Tank (RCT). The RCT receives condensate from the Slurry Mix Evaporator Condensate Tank (SMECT) and Off-gas Condensate Tank (OGCT) that may contain unreacted glycolate. A literature review found the potential for hydrogen generation due to thermolysis of glycolate in caustic CSTF conditions. Savannah River National Laboratory (SRNL) conducted several tests on simulant and radioactive waste from various tanks at SRS and confirmed that glycolate added to waste at concentrations of approximately 1000 mg/L and higher generates hydrogen through thermolysis. There are potential operating scenarios in the future where glycolate concentration could exceed 1000 mg/L in the 2H Evaporator Drop Tank, the highest accumulation point for DWPF organics received via recycle. These findings presented a need to develop another process to mitigate the impact of glycolic acid to the CSTF. Several DWPF compatible options were evaluated for their ability to destroy glycolate in the DWPF recycle stream under various processing conditions, thereby mitigating its introduction to the CSTF. Downselection testing identified sodium permanganate as the most promising and simplest option to oxidize glycolate. It has been demonstrated to be effective in various RCT simulant compositions, operating temperatures, oxidant addition rates, solution pH, and initial glycolate concentrations. A feasibility study identified existing tanks within the facility that could be used for receiving and storing the commercially available sodium permanganate, as well as feeding it to the RCT for processing. The use of existing equipment as well as the ability to purchase the pre-mixed chemical reduces implementation and operational complexity. The downstream impacts of the sodium permanganate reaction were also evaluated and demonstrated to have minimal impact on other chemical species present in the RCT and CSTF, as well as on the materials of construction of the RCT and CSTF vessels and associated piping and instrumentation. Future work is in progress to validate the glycolate destruction process with testing in actual radioactive RCT waste before implementation in DWPF. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗