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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Micropatterning of alumina tubular membranes via laser carving for enhanced direct air capture

An approach for preparing and applying micropatterned alumina tubular membranes was developed for improved gas-liquid contact at low air pressure drop in direct air capture application. The paper demonstrated that the laser carving of micropatterns on the outer surface of the alumina tubular membranes could greatly increase their outer surface area and enhance gas-liquid turbulence for a reduced diffusion mass transfer resistance. Six kinds of micropattern configurations were fabricated and studied, including random and regular micropatterns. By introducing a 500-μm solid grid micropattern, the outer surface area doubles and enhances carbon dioxide capture efficiency from 61% to 97% after the membrane was hydrophobically modified with fluoroalkylsilane. Here, the air pressure drop through the tube lumen remained low even when the packing density increased from 382 to 906 m 2 /m 3 . The liquid entry pressure of this micropatterned membrane was the same after testing for 220 h running with the help of periodic drying.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Rays for Roots - Integrating Backscatter X-Ray Phenotyping, Modeling and Genetics to Increase Carbon Sequestration and Switchgrass Resource Use (Final Report)

To increase carbon (C) deposition in the soil and enhance crop resource use efficiency, characterizing root form and function is essential. Several root and soil traits have been linked to increased root-to-soil C transfer. Technology that could provide high-resolution characterization of many of these traits in field conditions would revolutionize our ability to study and understand how to increase C sequestration. In this effort, we developed an initial early prototype backscatter X-ray system for non-destructive imaging of root traits. We collected initial backscatter X-ray data in field and lab settings and carried out early analysis of these data. Along with this prototype, we also developed a suite of root phenotyping approaches including advanced minirhizotron image analysis, soil core imaging, and mesocosm imaging. Minirhizotron (MR) tubes are clear tubes inserted into the soil in the field and used to image roots and the surrounding soil. Our team has developed deep learning-based methods that can segment roots from soil that can learn from imprecise image-level labels. The ability to learn or fine-tune our deep learning algorithms from image-level labels allows easier and faster application of these approaches to new locations and new plant species. We have successfully implemented and applied our MR analysis approaches to thousands of switchgrass MR images collected across geographical regions. An advantage of MR imaging is the ability to collect root and soil images over time. Our soil core analysis included collecting hundreds of soil core samples from harvested switchgrass fields and imaging these cores with both X-ray CT and backscatter X-ray imaging. Initial segmentation approaches for the X-ray CT images of these cores have been developed and applied. An advantage of soil core analysis is that it preserves the three-dimensional structures of the roots and soil in the core collected. Our group also developed photogrammetry-based mesocosm root imaging and phenotyping approaches. In this approach, a plant was grown in a large mesocosm with a three-dimensional grid of thin supporting lines inserted throughout the mesocosm. After the plant (and, correspondingly, the root architecture is grown and established) the soil media was removed and the supporting lines approximately preserved the three-dimensional root architecture. Then, we applied photogrammetry techniques to create a three-dimensional digital representation of the root architecture for which we developed analysis algorithms including skeletonization. We carried out our phenotyping development with powerful switchgrass resources and physiological and agroecosystem modeling to deliver novel technology. This project contributes to multiple ARPA-E missions including reduction of foreign imports of energy, reduction of energy-related emissions including greenhouse gases, and ensuring that the United States maintains a technological lead in developing and deploying advanced energy technology. Furthermore, the developed tools could transform public and private plant breeding and could be broadly applicable to other crops and, potentially, other application areas. Our team of engineers, plant and soil scientists, and modelers i) developed an early prototype backscatter X-ray platform that can operate in field conditions; ii) developed a suite of root phenotyping and characterization approaches as described above; iii) developed and carried out plant biology and physiology roots studies and; iv) developed and implemented mechanistic physiological modeling.

42 ENGINEERING↗
DOE OSTI2022

Efficient carbon capture using sub-textured polymer packing surfaces via 3D printing

Gas absorption is a common unit operation whose performance deeply relies on the gas liquid contact behavior. In this work, we report a solid polymeric surface feature containing microscale striation to improve the solid-liquid and gas-liquid contact and facilitate mass transfer. As a proof of concept, the surface feature is adopted for CO 2 capture absorber packing via 3D printing. Besides traditional embossing texture, an additional laminar striation is applied to the packing surface as a sub-texture. The packing shows notable CO 2 mass transfer increase without interfering with other key operating characteristics including pressure drop and liquid holdup. The improvement is based on the synergy of favorable wettability, thin liquid film and increased liquid mixing from rougher surface. In the demonstration test, the packing height could decrease by 33% using the advanced packing with same CO 2 removal, leading to a significant decrease in equipment size and capital expense for commercial CO 2 capture systems.

3D printing↗
DOE OSTI2021

Impact of Dry Cooler Air-Side Performance on a sCO2 Power Cycle for a CSP Application

Uncertainty around the design and control of the supercritical CO2 power cycle must be reduced before this technology can be implemented for large-scale grid support. To better understand the day-to-day performance of an sCO2 cycle, off-design performance calculations must be included for all power block components, and performance assumptions must be removed. This study has expanded the modeled scope to include the air-side performance for the dry cooler and has incorporated discretized heat transfer calculations for both streams through the pre-cooler to better predict off-design performance. This study considered a recompression Brayton cycle in a concentrating solar power application. The cycle model utilized fixed sCO2 turbomachinery maps for the main compressor, recompressor, and expander operating to supply approximately 10 MW gross at the design point. Fixed vendor-supplied fan curves were used to calculate the air-side performance of the dry cooler. The primary heater was modeled considering both the sCO2 and heat transfer fluid streams. Off-design performance was predicted for an ambient temperature range of 0-55℃, a HTF temperature range of 705-735℃, and a HTF mass flow range of 50-105% of the design point value. To understand the importance of modeling the air-side performance, the cycle off-design performance was also calculated using a constant CO2 outlet temperature assumption and a constant approach temperature assumption for the dry cooler. Results show that using these assumptions can significantly alter the power output and cycle efficiency predictions.

14 SOLAR ENERGY↗
DOE OSTI2022

Biomimetic Metal-Free Hydride Donor Catalysts for CO 2 Reduction

The catalytic reduction of carbon dioxide to fuels and value-added chemicals is of significance for the development of carbon recycling technologies. One of the main challenges associated with catalytic CO 2 reduction is product selectivity: the formation of carbon monoxide, molecular hydrogen, formate, methanol, and other products occurs with similar thermodynamic driving forces, making it difficult to selectively reduce CO 2 to the target product. Significant scientific effort has been aimed at the development of catalysts that can suppress the undesired hydrogen evolution reaction and direct the reaction toward the selective formation of the desired products, which are easy to handle and store. Inspired by natural photosynthesis, where the CO 2 reduction is achieved using NADPH cofactors in the Calvin cycle, in this study we explore biomimetic metal-free hydride donors as catalysts for the selective reduction of CO 2 to formate. Here, we outline our recent findings on the thermodynamic and kinetic parameters that control the hydride transfer from metal-free hydrides to CO 2 . By experimentally measuring and theoretically calculating the thermodynamic hydricities of a range of metal-free hydride donors, we derive structural and electronic factors that affect their hydride-donating abilities. Two dominant factors that contribute to the stronger hydride donors are identified to be (i) the stabilization of the positive charge formed upon HT via aromatization or by the presence of electron-donating groups and (ii) the destabilization of hydride donors through the anomeric effect or in the presence of significant structural constrains in the hydride molecule. Hydride donors with appropriate thermodynamic hydricities were reacted with CO 2 , and the formation of the formate ion (the first reduction step in CO 2 reduction to methanol) was confirmed experimentally, providing an important proof of principle that organocatalytic CO 2 reduction is feasible. The kinetics of hydride transfer to CO 2 were found to be slow, and the sluggish kinetics were assigned in part to the large self-exchange reorganization energy associated with the organic hydrides in the DMSO solvent. Finally, we outline our approaches to the closure of the catalytic cycle via the electrochemical and photochemical regeneration of the hydride (R–H) from the conjugate hydride acceptors (R + ). We illustrate how proton-coupled electron transfer can be efficiently utilized not only to lower the electrochemical potential at which the hydride regeneration takes place but also to suppress the unwanted dimerization that neutral radical intermediates tend to undergo. Overall, this account provides a summary of important milestones achieved in organocatalytic CO 2 reduction and provides insights into the future research directions needed for the discovery of inexpensive catalysts for carbon recycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Initial Design and Experimental Results of a Novel Near-Isothermal Compressor for Heat Pump Applications

In efforts to increase the efficiency of residential and commercial air conditioners and heat pumps, it is found that the compressor has the highest electrical energy usage of the system. Therefore, it is appropriate to try to increase the efficiency of this component to reduce its energy usage. Another challenge with heat pump design is that some compressor types have drawbacks that make modulation difficult. To answer these challenges, we are developing an isothermal liquid compressor. The compressor uses propylene glycol to compress carbon dioxide. In the compression chamber the propylene glycol can enter either from the bottom to create a liquid piston for compression or it can enter through a spray nozzle at the top of the chamber. In the latter case, heat transfer from the gas to be compressed to the liquid droplets is high. This allows near isothermal operation of the compressor, which increases the efficiency by 17% to 30%, compared to adiabatic compression. In addition, the isothermal liquid compressor enables very efficient and simple part load modulation.Experimental results demonstrating the operation of the liquid compressor are presented. Initial data demonstrated a temperature rise of 7 K at pressure ratios of almost 4. For comparison at the same initial pressure, temperature, and pressure ratio, adiabatic compression would result in a temperature increase of approximately 70 K. Plotting data on a P-h diagram demonstrates that the compression started at superheated state and ended in supercritical state. Testing was later performed with repeated compressions in the superheated region of the P-h diagram at liquid flow rates of 2 x 10-3 m3/min and 2 x 10-3 m3/min to understand the limitations of the prototype for use with an actual heat pump system. This work demonstrated a novel cycle on a T-s diagram. Results from this work will be used to develop a second-generation prototype where more rapid cycling is possible.

Kowalski, Steve↗
DOE OSTI2022

Compartment-specific energy requirements of photosynthetic carbon metabolism in Camelina sativa leaves

Abstract Main conclusion The oxidative pentose phosphate pathway provides cytosolic NADPH yet reduces carbon and energy use efficiency. Repressing this pathway and introducing cytosolic NADPH-dependent malate dehydrogenase may increase crop yields by ≈5%. Abstract Detailed knowledge about plant energy metabolism may aid crop improvements. Using published estimates of flux through central carbon metabolism, we phenotype energy metabolism in illuminated Camelina sativa leaves (grown at 22 °C, 500 µmol photons m −2 s −1 ) and report several findings. First, the oxidative pentose phosphate pathway (OPPP) transfers 3.3% of the NADPH consumed in the Calvin–Benson cycle to the cytosol. NADPH supply proceeds at about 10% of the rate of net carbon assimilation. However, concomitantly respired CO 2 accounts for 4.8% of total rubisco activity. Hence, 4.8% of the flux through the Calvin–Benson cycle and photorespiration is spent on supplying cytosolic NADPH, a significant investment. Associated energy requirements exceed the energy output of the OPPP. Thus, autotrophic carbon metabolism is not simply optimised for flux into carbon sinks but sacrifices carbon and energy use efficiency to support cytosolic energy metabolism. To reduce these costs, we suggest bioengineering plants with a repressed cytosolic OPPP, and an inserted cytosolic NADPH-dependent malate dehydrogenase tuned to compensate for the loss in OPPP activity (if required). Second, sucrose cycling is a minor investment in overall leaf energy metabolism but a significant investment in cytosolic energy metabolism. Third, leaf energy balancing strictly requires oxidative phosphorylation, cofactor export from chloroplasts, and peroxisomal NADH import. Fourth, mitochondria are energetically self-sufficient. Fifth, carbon metabolism has an ATP/NADPH demand ratio of 1.52 which is met if ≤ 21.7% of whole electron flux is cyclic. Sixth, electron transport has a photon use efficiency of ≥ 62%. Last, we discuss interactions between the OPPP and the cytosolic oxidation–reduction cycle in supplying leaf cytosolic NADPH.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Integrated Radio Frequency and Ultrasonics with Conventional Processes for Efficient Water Removal in Pulp and Paper and Other Biomaterial Applications

Conventional drying processes used in the pulp and paper industry primarily involve lengthy, surface based, multi-cylinder conductive and convective drying with low thermal efficiencies and often use some fossil-based energy. Integration of cross cutting, electrically-powered, volumetric drying process intensification technologies based on Radio Frequency (RF) and acoustics (Ultrasonics) (US) will directly impart energy into the biomaterials resulting in improved energy efficiency and throughput. Integration of RFUS-based drying technology is expected to enable U.S. manufacturing industry to reduce capital and operating costs, energy consumption, and carbon emissions while increasing energy efficiency and throughput, improving product quality and sustainability, and helping preserve U.S. manufacturing jobs. The hybrid drying approach incorporates directed radio frequency (RF) and ultrasonic (US) energy with conventional conduction, diffusion and convective heat and mass transfer overcoming the limitations of the conventional drying processes and that meets/exceeds the minimum goals. We have shown the effective removal of free and bound water in the biomaterials by leveraging the synergies of RF and US technologies integrated with conventional manufacturing processes.

42 ENGINEERING↗
DOE OSTI2025

Rapid Synthesis of Carbon‐Supported Ru‐RuO₂ Heterostructures for Efficient Electrochemical Water Splitting

Abstract Development of high‐performance electrocatalysts for water splitting is crucial for a sustainable hydrogen economy. In this study, rapid heating of ruthenium(III) acetylacetonate by magnetic induction heating (MIH) leads to the one‐step production of Ru‐RuO₂/C nanocomposites composed of closely integrated Ru and RuO₂ nanoparticles. The formation of Mott‐Schottky heterojunctions significantly enhances charge transfer across the Ru‐RuO 2 interface leading to remarkable electrocatalytic activities toward both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in 1 m KOH. Among the series, the sample prepares at 300 A for 10 s exhibits the best performance, with an overpotential of only −31 mV for HER and +240 mV for OER to reach the current density of 10 mA cm⁻ 2 . Additionally, the catalyst demonstrates excellent durability, with minimal impacts of electrolyte salinity. With the sample as the bifunctional catalysts for overall water splitting, an ultralow cell voltage of 1.43 V is needed to reach 10 mA cm⁻ 2 , 160 mV lower than that with a commercial 20% Pt/C and RuO₂/C mixture. These results highlight the significant potential of MIH in the ultrafast synthesis of high‐performance catalysts for electrochemical water splitting and sustainable hydrogen production from seawater.

Pan, Dingjie [Department of Chemistry and Biochemi↗
DOE OSTI2021

Oxygen Vacancies Enriched Bi Based Catalysts for Enhancing Electrocatalytic CO2 Reduction to Formate

The practical application of CO2 conversion through electrochemical reduction is still hindered by the lack of high performance and cost-effective catalysts. It is thus imperative to explore feasible strategies for scalable fabrication of catalysts for CO2 reduction to targeting products with high efficiency. Herein, for the first time, a hybrid of BiOx encapsulated in carbon thin layer is developed as high active electrocatalyst for CO2 conversion, which is synthesized by pyrolysis using Bi MOF as precursor and sacrificial template. The carbon layer overcoating BiOx catalyst exhibits superior performance for CO2 reduction to formate, achieving a maximum Faradaic efficiency of 89.3 % and a maximum current density of 37.8 mA cm-2. It is found that the as-prepared BiOx catalyst is enriched with oxygen vacancies stabilized by the encapsulating carbon layer. Both the carbon layer and oxygen vacancies improve the charge transfer of the catalyst, in favor of the high formate current density. The defects of oxygen vacancies play a vital role in CO2 adsorption and activation and thereby further enhancing the electrocatalytic ability for formate production.

oxygen vacancy, bismuth, carbon coating, CO2 elect↗
DOE OSTI2022

Bismuth Electrocatalyst Enabling Reversible Redox Kinetics of a Chelated Chromium Flow Battery Anolyte

Metal electrocatalysts have been reported to improve the electron transfer kinetics of aqueous redox flow battery electrolytes on various types of carbon electrodes. In this work, we electrodeposited bismuth metal onto a carbon paper anode of a redox flow battery containing our previously reported polyaminocarboxylate-chelated chromium electrolyte. Depositing 0.58 mg cm –2 of bismuth metal enabled an electrochemically reversible electron transfer for the Cr(II)/Cr(III) couple, resulting in a 3.9% voltage efficiency increase over ten cycles at 100 mA cm –2 across an 80% state of charge window, while maintaining >99% current efficiency. The bismuth electrocatalyst provided other improvements, such as a 13% increase in average discharge power density when cycling at 80% energy efficiency, along with a 60% decrease in charge transfer resistance and 12% decrease in the full cell area specific resistance. A chelated bismuth complex was also utilized as a bismuth source for electrodeposition, providing an example of how polyaminocarboxylate ligands can be further implemented into efforts towards improving the energy efficiency of aqueous redox flow batteries.

25 ENERGY STORAGE↗
DOE OSTI2026

Development and Application of High-Fidelity Models for Heterogeneous CO2 Frost Formation

Carbon America has developed a cryogenic carbon capture technology ("FrostCC") that separates CO2 from point source emissions by solidifying it at cold temperatures through preferential desublimation. Cooling is achieved through a series of interlinked compression, heat exchange, and expansion operations. In the current system, frosting of CO2 happens in heat exchangers, followed by CO2 recovery in a separate extraction step. In this work, multiphysics computational fluid dynamics (CFD) models are developed and validated for compressible and low Mach flows to simulate the formation of solid CO2 in flue gas flowing in a heat exchanger geometry. The models track the mass transfer rate of CO2 from gas phase to solid phase, heat released from desublimation, and the evolution of the solid CO2 layer. Simulations are used to answer scientific questions related to the angle of heat exchanger pipes, where buoyancy effects from flow velocity and pipe orientation influence CO2 frosting. Results show that upwardly angled pipes produce notably different flow structures compared to horizontal or vertical configurations, and that carbon capture efficiency correlates with buoyancy effects for pipe angles within plus or minus 23 degrees of horizontal.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Effects of Dissolution Regimes on Flow Channelization and Solute Transport in 3D Fracture Networks: Insights From Graph‐Based Reactive Transport Modeling

We investigate how mineral dissolution reshapes flow pathways and solute transport in three‐dimensional discrete fracture networks using a computationally efficient graph‐based reactive transport model. The DFNs are inspired by field‐site observations of fractured carbonate and represent realistic connectivity and structural heterogeneity. Flow is simulated with the Reynolds equation, and dissolution follows first‐order kinetics with diffusive limitations captured through an effective mass‐transfer coefficient. By systematically varying two key dimensionless parameters, the effective Damköhler number (Da), governing reaction versus advection rates, and a transport parameter (Da), analogous to the Thiele modulus, distinct flow channelization regimes emerge: mildly channelized at low G, highly channelized at intermediate Da, and extreme wormhole formation at high Da and low G. Eulerian and Lagrangian analyses, including breakthrough curves, particle tortuosity, dispersivity, and flow channeling indicators quantitatively characterize the progression of dissolution‐driven network restructuring. Across all regimes, initial fracture heterogeneity persists. The results underscore how the interplay between this initial structure, advection, reaction, and diffusion critically shapes subsurface flow pathways, with implications for applications ranging from groundwater remediation to enhanced geothermal systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

From Powder to Power: Tailored Pre-Milling Strategy that Optimizes Microstructure for Efficient Hydrogen Evolution

The hydrogen evolution reaction (HER) plays a critical role in enabling large-scale electrolytic hydrogen production and advancing future technologies and fuel production. Among non-precious metals, NiMo-based catalysts are particularly attractive due to their capability to promote both water dissociation and hydrogen adsorption in alkaline media. However, conventional NiMo catalysts often suffer from incomplete alloying, particle aggregation, weak metal–support interactions, and surface oxidation, which significantly limit active site utilization, electronic conductivity, and long-term stability. Herein, we report a scalable, solid-state, two-step ball milling strategy for constructing an efficient NiMo/C catalyst for the HER. Pre-milling the metal precursors prior to carbon incorporation promotes efficient solid-state activation, leading to the formation of uniformly alloyed, ultrafine, and defect-rich Ni–Mo nanoparticles with robust metal–carbon interfacial anchoring. Benefiting from this integrated structural design, the optimized NiMo/C catalyst exhibits low overpotentials and Tafel slopes, reduced charge-transfer resistance, and excellent durability under alkaline conditions. Comprehensive structural and surface analysis reveal that the enhanced HER performance can be attributed to the synergistic interplay of homogeneous Ni–Mo alloying, uniform nanoparticle dispersion on a defect-rich carbon scaffold, enhanced accessibility of catalytically active sites, and optimized electronic coupling that stabilizes the catalyst surface. This work highlights the two-step solid-state ball milling strategy as a simple, robust, and scalable route for the preparation of effective and durable non-precious metal HER electrocatalysts, offering practical insights toward large-scale and inexpensive hydrogen production.

Yang, Xiaoxuan [Oak Ridge National Laboratory (ORN↗
DOE OSTI2020

Steady-state off-design modeling of the supercritical carbon dioxide recompression cycle for concentrating solar power applications with two-tank sensible-heat storage

Concentrating solar power researchers are evaluating the potential of the supercritical carbon dioxide recompression cycle to improve the thermal efficiency and decrease the capital costs of next-generation systems. This analysis investigates the steady-state off-design performance of a recompression cycle integrated with two-tank sensible-heat thermal energy storage as the ambient temperature and heat-transfer fluid (HTF) inlet conditions to the cycle change. This paper presents off-design component models and then cycle convergence and control models to maximize net cycle power output while constraining the high-side pressure and air-cooler fan power to their respective design values and fixing the cycle HTF outlet temperature to its design value. Results show that inventory control and air-cooler fan power are important control parameters that can be optimized to maximize off-design power output as the ambient temperature and HTF mass flow rate diverge from design. The high-side pressure and fan power constraints cause the cycle net power to degrade when the ambient temperature is warmer than the design value, and this study calculates a maximum mass flow rate for hot days above which the cycle cannot achieve the design HTF outlet temperature. Finally, the analysis shows that optimizing compressor shaft speeds can improve cold-day performance by around 1.5 percentage points and part-load performance by up to 2.5 percentage points versus a baseline case with no active compressor control.

14 SOLAR ENERGY↗
DOE OSTI2023

Implementation of a High-Fidelity Interface Resolving Method in Nek5000

The development and utilization of computational fluid dynamics (CFD) models for large, high-temperature electric melters in the Waste Treatment and Immobilization Plant (WTP) in eastern Washington State have proven to be valuable for various purposes. These models allow for a better understanding of the physio-chemical processes occurring within the melter vessels and can contribute to improving operational efficiency, throughput, and addressing operational issues related to vitrification. The CFD models employed for these melter vessels incorporate multiphase fluid flow and heat transfer simulations in different regions, including the plenum, cold cap, and molten glass regions. As the tank waste and glass formers are introduced into the melter, a reacting batch layer known as the cold cap forms on top of the molten glass. To enhance the melt rate, forced convection bubblers located at the bottom of the melters generate convection currents that help homogenize the molten glass and provide heat to the cold cap. As the bubbles rise through the highly viscous glass, they adopt a spherical-cap shape [1]. Meanwhile, the conversion of the batch to glass generates significant amounts of gases (such as water vapor, carbon dioxide, sulfur dioxide, and NOx) due to thermal decomposition [2]. These gases become trapped between the cold cap and molten glass, forming a foam layer [3]. For modeling multiphase flow in CFD and heat transfer simulations of waste glass melters at different scales, efforts are underway to augment the capabilities of the Nek5000 [4] and NekRS [5] open-source codes [6]. Nek5000/NekRS is a scalable and efficient spectral element code that has been successfully applied to a wide range of fluid dynamics problems. By leveraging the Nek5000/NekRS software, it becomes possible to model the melter systems more affordably and with lower computational requirements compared to currently utilized commercial CFD software. The specific objectives of this ongoing effort include: 1. Implementation of a level set method in Nek5000/NekRS: The level set method is a numerical technique commonly employed in CFD simulations to track and represent the interface between different phases or materials accurately. By incorporating this method into Nek5000/NekRS, the ability to simulate multiphase flows in waste glass melters at a high level of fidelity can be achieved. 2. Demonstration of capability for air bubbling through molten glass: As part of the development process, a specific case of air bubbling through molten glass will be simulated using the augmented Nek5000/NekRS code. This demonstration aims to showcase the ability of the software to accurately capture and analyze the complex phenomena involved in the multiphase flow within waste glass melters. By achieving these objectives, the improved Nek5000/NekRS code will offer a powerful computational tool for simulating and analyzing waste glass melter systems, enabling better understanding, optimization, and troubleshooting of these vitrification processes. The ability to accurately model and simulate multiphase flows has broad relevance across many industries and scientific domains, and the improved functionality can contribute to advancements in various fields beyond waste glass melter simulations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Extracellular electron transfer across bio-nano interfaces for CO 2 electroreduction

Acetogenic bacteria represent a class of organisms capable of converting reducing equivalents and carbon dioxide into products with carbon–carbon bonds. Materials-based bio-electrochemical approaches are attractive for supplying biological organisms directly with grid-supplied electrons to convert carbon dioxide to value-added chemicals. Carbon nanotube-modified biocathodes have emerged as promising candidates for microbial electrosynthesis with high yields of carbon product formation, but a fundamental understanding of extracellular charge transfer at this electrode-biofilm interface is still lacking. Here, we utilize solid-state interfaces between semiconducting single-walled carbon nanotubes (s-SWCNT) and a model acetogenic bacterium for mechanistic studies of electro-catalytic CO 2 conversion to acetate. Studies of bacteria/s-SWCNT interactions in a transistor-based device suggest direct extracellular electron transfer (EET) at the bio-nano interface. Deuterium isotope labeling experiments confirmed that the availability of electrochemically produced H 2 as a redox mediator does not limit the efficiency of EET and CO 2 electro-reduction for C. ljungdahlii biofilms, suggesting the primary reducing equivalents are the electrons delivered across the electrode/bacterium interface or involvement of biological redox mediators. Additional isotope labeling studies demonstrate high Faradaic efficiency for CO 2 electro-reduction at the SWCNT/bacterium interface. These results provide important information about EET across the bacterium/material interface in a model biocathode.

77 NANOSCIENCE AND NANOTECHNOLOGY↗