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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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At least 1,063 records · Page 59

Multimodal single-Cell/ Particle imaging and engineering for energy conversion in bacteria (Final Technical Report)

Hybrid inorganic-microbial systems have emerged as a potentially transformative approach to combine the light-harvesting capability of inorganic semiconductors and the ability of microbes to orchestrate complex chemical transformations. The objective of this collaborative research is to combine quantum materials synthesis, bacterial synthetic biology, and multimodal single-entity imaging to quantitatively study how hybrid QD-bacteria systems convert light to value chemicals at the single-to-sub cell level, with the ultimate goal of gaining insights to guide the engineering of QDs and bacterial genetics for more efficient bioenergy conversion. The final technical report summarizes our achievements toward this objective.

09 BIOMASS FUELS↗

Direct conversion of syngas to lower olefins precursors of jet fuel and chemicals

This study investigates the direct conversion of syngas to olefins as a pathway to produce sustainable aviation fuels. This approach combines methanol/ dimethyl ether synthesis with methanol-to-olefins into one unit operation to avoid the equilibrium limitation of methanol synthesis and the Anderson–Schulz–Flory distribution limitations from the Fischer Tropsch process. The ability to combine reactor functionalities into a single step are also projected to significantly lower capital costs over current synthesis approaches for the syngas to olefins process.

10 SYNTHETIC FUELS↗

Systems Biology-Based Optimization of Extremely Thermophilic Lignocellulose Conversion to Bioproducts

This was a collaborative project involving researchers at the University of Georgia, North Carolina State University, Sanford‐Burnham‐Prebys Med. Discovery Institute and the University of Rhode Island. The over-arching goal was to demonstrate that non-model microorganisms, specifically extreme thermophiles, can be a strategic metabolic engineering platform for industrial biotechnology. We engineered the most thermophilic lignocellulose-degrading organism known, Caldicellulosiruptor bescii (Cbes) , which grows optimally near 80°C, and the most thermophilic fermentative organism known, Pyrococcus furiosus (Pfu) , which grows optimally at 100°C, to produce several key industrial chemicals. This work leveraged recent breakthrough advances in the development of molecular genetic tools for these organisms, complemented by a deep understanding of its metabolism and physiology gained over the past decade of study in the PIs’ laboratories. We applied the latest metabolic reconstruction and modeling approaches to optimize biomass to product conversion. Bio-processing above 70°C can have important advantages over near-ambient operations. Highly genetically-modified microorganisms usually have a fitness disadvantage and can be easily overtaken in culture when contaminating microbes are present. The high growth temperature of extreme thermophiles precludes growth or survival of virtually any contaminating organism or phage. This reduces operating costs associated with reactor sterilization and maintaining a sterile facility. In addition, at industrial scales, heat production from microbial metabolic activity vastly outweighs heat loss through bioreactor walls such that cooling is required. Extreme thermophiles have the advantage that non-refrigerated cooling water can be used if needed, and heating requirements can be met with low-grade steam typically in excess capacity on plant sites. We assembled a highly interdisciplinary team that brought together all of the expertise for the project to have successful outcomes. This project also built upon and utilized extensive information already available in the PIs’ labs for both Cbes and Pfu to develop models that provide a comprehensive description of these organisms’ physiology and metabolism that were utilized to inform metabolic engineering strategies. The models were validated with experimental data and the results demonstrated that unpretreated lignocellulose has the potential to be converted into value-added industrial chemicals at high loading at bioreactor scale. The data generated from this research were published in twenty-one peer-reviewed papers in international journals with online access.

60 APPLIED LIFE SCIENCES↗

Rational Optimization of Microbial Processing for High Yield CO 2 -to-Isopropanol Conversion: Cooperative Research and Development Final Report, CRADA Number CRD-20-17114

This project focuses on the production of the fuel blendstock isopropanol using a CO 2 -fixing Clostridium by metabolic engineering and process optimizations. The project will initiate from a baseline isopropanol producer and pursue isopropanol production at high carbon-conversion efficiency. We will lead engineering work by in-depth pathway analyses including thermodynamics optimization, enzyme expense analysis, metabolic robustness analysis, and -omics analysis. The isopropanol production will be optimized via genome editing followed by fermentation optimizations. This project will deliver a novel microbial process that efficiently converts waste CO 2 to isopropanol at ~g/L titer level within 18-months. This project will layout a solid knowledge basis and technology platform for renewable CO 2 valorization to bio-blendstock that help achieve Co-Optima and Shell's goals.

09 BIOMASS FUELS↗

Electron/hole selectivity in organic semiconductor contacts for solar energy conversion (Final Report)

Four major and accomplishments for the project "Electron/hole selectivity in organic semiconductor contacts for solar energy conversion.'' are reported. The first is a development of a model describing the contact-determined behavior of a solar cell. The most basic solar cell consists of an intrinsic (pure) semiconductor that acts as an absorber to which contacts are made that provide the asymmetry needed to create a driving force (voltage) for the directional flow of electrons (current), in other words, to convert sunlight into electrical energy. The asymmetry at the contacts comes from the different rate at which electrons and holes, the charge carriers generated by illumination, are collected. We developed a model that describes the ideal current-voltage, and hence energy converting properties, of an ideal photovoltaic that is entirely determined by the kinetics for these charge collection processes. Second, we measured how organic semiconductor interfacial layers impact contact electron and hole transfer rates at semiconductor interfaces and described how these concepts do or do not determine the open-circuit voltage of a solar cell. The work clearly controverts common general misconceptions about the action of contact interfacial layers, such as the idea that improved selectivity for one carrier over the other results from decreased recombination, and quantitatively demonstrates how specific interfacial layer materials act to improve the efficiency of a solar cell. Third, we measured the sub-band gap external quantum efficiency (EQE) of a series of organometal halide perovskite (“perovskite”) solar cells. These measurements quantified band-tailing and revealed defect states, which can cause recombination, that correlate with composition, performance, and hysteresis. Finally, we developed a semiconductor bipolar membrane that uses light to pump ions. This structure is unique among systems that drive ion gradients using light in that it is designed to pump salt rather than one sign of ion; it is a photochemical salt pump.

14 SOLAR ENERGY↗

Growth of Well-Defined Model Catalysts for Electrochemistry: From Surface Science Studies to Electrocatalytic CO2 Conversion

We combined ultrahigh vacuum (UHV) surface science techniques, electrochemical measurements, and computational modeling to investigate electrocatalytic systems that are crucial components of the carbon management effort, including oxygen evolution reactions (OER) and CO2 reduction reactions (CO2RR). Well-defined Model catalysts were grown on substrates in the UHV chamber and characterized with X-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM). Selected model electrocatalysts were then tested in electrochemical cells to establish the structure-property relationships in OER and CO2RR. Our results showed that the edge sites of Fe2O3 grown on Au(111) were the most active toward OER and incorporation of Ni at the edge sites (NiFeOx) further boosted their OER activity. We also resolved the size-dependent electrocatalytic CO2-to-CO conversion of the Ag nanoparticle electrocatalysts with average particle diameter between 2 to 6 nm: smaller diameter (< 3 nm) particles favored H2 evolution reaction (HER) due to a high population of Ag edge sites, whereas larger diameter particles favored CO2RR as the population of Ag(100) surface sites grew. We further discovered that electronic interactions between small diameter Ag particles and highly defective carbon supports could break the size-dependent CO2RR selectivity, resulting in highly selective (CO Faradaic Efficiency > 90%) and active Ag nanoparticle electrocatalysts with sizes < 2 nm diameter.

Deng, Xingyi↗

Immobilization of Urease for continuous flow conversion of waste urea

An efficient and robust system for the urease catalyzed conversion of urea to ammonia has been developed using urease immobilized on modified agarose beads. Two different immobilization strategies, adsorption and covalent binding were studies using six different types of modified agarose beads. The immobilization of urease on each of the beads was studied at different concentrations and times using immobilization efficiency as a measure of success. The data from these experiments was used to identify potential candidates for immobilization scale up and implementation into the continuous flow system. The enzyme was then immobilized on the candidates in a packed bed reactor and the optimal flow rate and storage stability was determined. Future work will utilize the data obtained from these experiments to expand to other resins and enzymes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

LCA Tools for Carbon Conversion Technology Appraisals

This paper communicates an overview of NETL LCA Tools for carbon conversion technology appraisals, differences in applications, and the utilities of these LCA tools to support DOE, other federal organizations, and the overall LCA community.

Guglielmi, Giovanni↗

Understanding of Ag Nanocatalysts for Electrocatalytic CO2 Conversion: Effects of Particle Size and Carbon Support

In this talk, we combined ultrahigh vacuum (UHV) surface science techniques, electrochemical measurements, and computational modeling to investigate Ag based electrocatalysts for CO2 reduction reaction (CO2RR). Our goal is to understand the critical characteristics governing the activity and selectivity of Ag electrocatalysts. Ag electrocatalysts were grown on highly oriented pyrolytic graphite (HOPG) in the UHV chamber, characterized with X-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM), and then tested in a custom-built gastight H-cell. Supported by computational modeling based on density functional theory (DFT) calculations and microkinetic modeling (MKM), our studies revealed a strong size-dependent electrocatalytic CO2-to-CO conversion of the Ag nanoparticle electrocatalysts with average particle diameter between 2 to 6 nm. Smaller diameter (< 3 nm) particles favored H2 evolution reaction (HER) due to a high population of Ag edge sites, whereas larger diameter particles favored CO2RR as the population of Ag(100) surface sites grew. We further discovered that electronic interactions between small diameter Ag particles and highly defective carbon supports could break the size-dependent CO2RR reactivity, resulting in highly selective (CO Faradaic Efficiency > 90%) and active Ag nanoparticle electrocatalysts with sizes < 2 nm diameter. This knowledge is key to understand electrocatalysts performance and to ultimately guide electrocatalyst design

Ag nanoparticles↗

Plasma Assisted Catalytic Conversion of Carbon Dioxide (CO2) and Propane to Propylene and Carbon Monoxide (CO)

Presented at the NETL Project Review Meetings in 2022, the presentation summary includes the following status updates: -Feasibility of the CO2-ODH reaction with plasma demonstrated at much lower temperatures than conventional processes -Presence of CO2 enhances propane conversion in the plasma reactor -Ce doped, 5 wt.%/CexZr1-xO2 catalyst demonstrated enhanced selectivity and stability for propylene production via CO2-ODH process under thermal conditions -Comprehensive characterization coupled with designed catalytic experiments identified Cr3+ as the active site CO2-ODH proceeds via dehydrogenation route -Coke formation, which causes catalyst deactivation, inhibited by both Ce and CO2

Zhou, S. James↗

Characterization of Coal Seam Produced Water from the Appalachian Basin: Geochemistry, Microbiology, and Biocatalyst Development for Biological CO 2 Conversion

To enhance domestic energy repositories, it is necessary to develop carbon utilization technologies to repurpose unused carbon sources, and/or enhance the economic viability and carbon conversion efficiency of current technologies. To this end we have developed a biocatalyst, enriched from coal seam produced water, to convert gaseous and liquid C1 compounds (e.g. CO 2 , bicarbonate, formate, and/or methanol) into acetate, a C2 organic acid with a projected global market size of $\$$32.4 billion USD by 2030.

01 COAL, LIGNITE, AND PEAT↗

X-ray Conversion Efficiencies for Diffraction Experiments on Z

We have used a deep-depletion CCD camera in single-hit mode to measure X-ray conversion efficiencies with Z-Beamlet and Z-Petawatt. Z-Petawatt is superior to Z-Beamlet for X-rays harder than 10 keV. For diffraction samples with Z > 42, we likely require X-rays with 15 keV or higher photon energy (Z-Petawatt). We are developing a robust, reproducible setup for X-ray polycapillaries as a part for X-ray diffraction experiments (XRD).

Geissel, Matthias↗

Optimization of Ag Electrocatalyst Performance for CO2 to CO Conversion: Pairing Atomic Simulations with Experiments

Density-functional theory- based calculations that complement our series of experimental efforts on optimizing Ag electrocatalyst performance for CO2 to CO conversion were presented. Three key findings are drawn out from the combined UHV surface science, STM and electrochemical measurements: (1) Using a series of Ag nanoparticles with 2-6 nm average diameters, CO2 reduction reaction (CO2RR) activity increases, with particle between 2 nm and ∼4 nm demonstrating the highest combination of activity and selectivity; (2) Electronic metal−support interactions (EMSIs) between Ag and C dramatically improve CO2RR performance as evidenced by a scaling relationship between particle size and the relative Ag−C EMSIs strength, which improves the CO2-to-CO Faradaic efficiency of sub-2 nm Ag particles from 2 to ∼100% and increases the CO turnover frequency ∼15-fold compared with similarly sized bare Ag particles; (3) The performance Ag electrocatalysts is improved when supported on S-doped C materials. Computational modeling of 1−10 nm Ag particles predicts a nearly identical size-dependent trend with maximum CO2RR activity predicted for 3.7nm particles. The calculations support the promotional effect of C materials, showing a large charge transfer of 1.02 e from Ag clusters to defective C and a 0.41 eV less endergonic step of forming COOH intermediate on Ag/defective-C compared to the Ag/C system. Calculations indicate a more favorable energetic pathway of CO2-to-CO at the C-S-Ag interface, consistent with experiments.

CO2 utilization↗

Application of Ocean Thermal Energy Conversion (OTEC) Systems for Powering Safety Monitoring Systems of Offshore Oil and Gas Operations, OESI 2.0 M-1 T-1-P1.1 – Objective 3 Report: Collocation of OTEC with Offshore Oil and Gas Activities

This report is a component of a comprehensive research initiative aimed at evaluating the technoeconomic feasibility of deploying Ocean Thermal Energy Conversion (OTEC) systems to power safety monitoring systems for offshore oil and gas operations in the Gulf of America (GOA). The overarching study has three primary objectives: summarizing existing oil and gas equipment monitoring systems, modeling OTEC as a renewable marine energy source, and exploring the collocation of OTEC power sources with offshore oil and gas activities to offset power demand. This report specifically addresses Objective 3, focusing on the integration of OTEC systems with floating oil and gas facilities.

02 PETROLEUM↗

Application of Ocean Thermal Energy Conversion (OTEC) Systems for Powering Safety Monitoring Systems of Offshore Oil and Gas Operations. OESI 2.0 M-1 T-1-P1.1 – Objective 1 Interim Report: Summary of Offshore Oil and Gas Well Monitoring Systems and Process Power Requirements

This report is part of a comprehensive research initiative aimed at evaluating the technoeconomic feasibility of deploying greenhouse gas (GHG) emissions monitoring systems powered by small-scale renewable energy sources on the U.S. Outer Continental Shelf (OCS). The study has three primary objectives: summarizing available GHG monitoring systems for the OCS, modeling a renewable marine energy source (specifically ocean thermal energy conversion, or OTEC), and modeling the collocation of OTEC power sources with offshore oil and gas activities to offset power demand.

02 PETROLEUM↗