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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Daniel Xing is a SULI intern whose project was titled: “An Improved Boosted Decision Tree Framework for Event Classification MicroBooNE” This is a physical subject that helps us understand how we can better model neutrinos. I do not study neutrinos, so listening to this talk was very formal.
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As a follow-on to the NREL Best Practices report, a technical Design Basis Document has been developed for salt systems. The report includes prescriptive specifications for tanks, steam generators, valves, heat tracing, materials, and process engineering, with a goal of achieving a plant availability of 92+ percent.
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The goal of the ChemCatBio DataHub project is to accelerate the catalyst and process development cycle by developing transformational tools for prediction and collaboration in catalyst R&D. The project is currently focused on the development of the Catalyst Property Database (CPD), a free and public resource released in September 2020. The CPD was designed to advance the state of the art for application of computational data. When computational data, such as computed reaction energetics, is used in catalyst design, it is almost always generated by the researchers seeking to use it, even if similar data has been published previously. One barrier to data reuse that results in this duplication of effort is the difficult process of finding and applying published data, which can be slow, error-prone, and manual. The CPD seeks to overcome these challenges by creating a centralized, searchable database of quality catalyst property data. At present, the CPD contains computed adsorption energies for intermediates along catalytic pathways. During FY21 and FY22, development of the CPD continues with a focus on external users and meeting their requirements. A batch upload capability, training and curation procedures, user interviews, and a demonstration of the CPD's utility in accelerating catalyst research are planned. Overall, the Data Hub project and CPD aim to reduce the time and cost of catalyst research by harnessing the power of data in catalyst discovery.
The goal of the ChemCatBio DataHub project is to accelerate the catalyst and process development cycle by developing transformational tools for prediction and collaboration in catalyst R&D. The project is currently focused on the development of the Catalyst Property Database (CPD), a free and public resource released in September 2020. The CPD was designed in response to the observation that when data, such as computed reaction energetics, is used in catalyst design, it is almost always generated by the researchers seeking to use it, even if similar data has been published previously. One barrier to data reuse that results in this duplication of effort is the difficult process of finding and applying published data, which can be slow, error-prone, and manual. The CPD seeks to overcome these challenges by creating a centralized, searchable database of quality catalyst property data. At present, the CPD contains computed adsorption energies for intermediates along catalytic pathways. During FY21 and FY22, development of the CPD continues with a focus on external users and meeting their requirements. A batch upload capability, training and curation procedures, user interviews, and a demonstration of the CPD's utility in accelerating catalyst research are planned. Overall, the Data Hub project and CPD aim to reduce the time and cost of catalyst research by harnessing the power of data in catalyst discovery.
The Advanced Catalyst Synthesis and Characterization (ACSC) project, in close collaboration with the Chemical Catalysis for Bioenergy (ChemCatBio) Consortium enabling projects, CatCost, and the Engineering of Catalyst Scale-Up project, (1) provides fundamental insight into working catalysts leading to actionable recommendations for all of the ChemCatBio catalysis projects, (2) addresses overarching catalysis challenges central to the ChemCatBio Consortium, and (3) adapts and applies new synthesis methodologies and in situ/operando characterization capabilities to meet the evolving needs of the catalysis projects. The outcome is a transition from empirical catalyst development to rational design through the prediction of materials with targeted properties based on advanced characterization combined with computational modeling, and the synthesis of next generation catalysts with predicted structures that yield demonstrated improvements in catalytic performance. In FY18, the ACSC helped to demonstrate the utility of the complete catalyst and process development cycle for dimethyl ether to high-octane gasoline over metal-modified zeolite catalysts for the Upgrading of C1 Building Blocks project, and in FY21 will leverage capabilities, expertise, and computational models established for this effort to target next-generation catalysts for ethanol to distillates for the Upgrading of C2 Intermediates project with enhanced performance in half the time.
The goal of this project is to provide foundational data, strategic analyses, and outreach related to waste-to-energy (WTE) resources to support further development of the WTE industry. It builds on previous project outcomes, e.g., estimates of quantity, geographic distribution, and prices of wet WTE resources (food waste, sludge, manure, waste fats and oils). The project provides better understanding of the WTE resource potential and economic viability to enable development of new technologies and support strategic decisions.
Formate can be generated by electrocatalytic reduction of CO2 and has been proposed as a soluble intermediate for the storage of carbon and energy. Biological systems capable of assimilating formate could enable conversion of formate generated from low-cost renewable energy and waste CO2 to myriad fuels and chemicals. To that end, the goal of this project is to develop the natural formatotroph Cupriavidus necator as a robust microbial chassis for efficient conversion of formate to value-added products. Using a combination of laboratory evolution and rational engineering, we have identified mutations and genetic deletions that improve its growth rate and biomass yield on formate by 1.2X. Using RNA-seq transcriptomics, we are elucidating the mechanisms that underly these improvements and anticipate this will contribute to our understanding of formate conversion. We have also engineered C. necator to convert formate to the potential polymer precursor 2-hydroxymuconate semialdehyde (2HMS) by introducing an exogenous pathway and deleting competing pathways and demonstrated production and robust growth using a pH-stat bioreactor. Final techno-economic analysis and life-cycle assessment on biological production of 2HMS from formate will enable the DOE and other stake holders to evaluate the economic and environmental impact of this project and related technologies.