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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 307 records · Page 17

High Entropy Oxide Relaxor Ferroelectrics

Relaxor ferroelectrics are important in technological applications due to strong electromechanical response, energy storage capacity, electrocaloric effect, and pyroelectric energy conversion properties. Current efforts to discover and design materials in this class generally rely on substitutional doping as slight changes to local compositional order can significantly affect the Curie temperature, morphotropic phase boundary, and electromechanical responses. In this work, we demonstrate that moving to the strong limit of compositional complexity in an ABO 3 perovskite allows stabilization of relaxor responses that do not rely on a single narrow phase transition region. Entropy-assisted synthesis approaches are utilized to synthesize single-crystal Ba(Ti 0.2 Sn 0.2 Zr 0.2 Hf 0.2 Nb 0.2 )O 3 [Ba(5B)O] films. The high levels of configurational disorder present in this system are found to influence dielectric relaxation, phase transitions, nanopolar domain formation, and Curie temperature. Temperature-dependent dielectric, Raman spectroscopy, and second-harmonic generation measurements reveal multiple phase transitions, a high Curie temperature of 570 K, and the relaxor ferroelectric nature of Ba(5B)O films. The first-principles theory calculations are used to predict possible combinations of cations to design relaxor ferroelectrics and quantify the relative feasibility of synthesizing these highly disordered single-phase perovskite systems. Further, the ability to stabilize single-phase perovskites with various cations on the B-sites offers possibilities for designing high-performance relaxor ferroelectric materials for piezoelectric, pyroelectric, and electrocaloric applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Addressing the challenge of carbon-free energy

This century will witness a major transformation in how energy is acquired, stored, and utilized globally. The impetus for this change comes from the deep impacts that both developed and developing societies have had on our planet's environment during the past century, and the projections going forward of what will happen if we do not act transformativelywithin the next 2 decades. This paper describes the basis for a meeting held in October 2018 on the need for decarbonization in our energy landscape, and specifically the status and challenges of the science that provides the foundation for such technology. Within the realm of decarbonization in energy generation lies the science of solar energy conversion using new or improved photovoltaic materials and artificial photosynthesis for water splitting and other energy-storing reactions. The intimately related issue of renewable energy storage is being addressed with new strategies, materials, and approaches under current investigation and development. The need to improve the interactions between scientists working on these connected but separately considered challenges and on the transition of scientific achievement to practical application was also addressed, with specific efforts enumerated.

climate change↗

Advanced PGM-free Cathode Engineering for High Power Density and Durability

Polymer electrolyte fuel cells (PEFCs) are among the most promising technologies for future electric vehicles by using clean H2 with much-improved energy conversion efficiency, longer range, and rapid refueling. However, due to a large amount of platinum group metal (PGM) catalyst used in their electrodes, their prohibitively high cost hinders broad commercialization of PEFCs for transportation. Therefore, there is a critical need to develop low-cost, high-performance PGM-free cathode catalysts that have the potential to dramatically transform the economics of PEFC commercialization by reducing catalyst costs by one to two orders of magnitude. However, before PGM-free cathodes become viable, several technical challenges associated with PGM-free cathodes must be addressed, including insufficient activity and stability of the catalysts, as well as severe water flooding and large transport losses in the electrodes. Overcoming those barriers and ultimately meeting the challenging automotive PEFC performance targets was the focus of this comprehensive research and development effort on new PGM-free cathodes. To this end, we assembled a team including leading researchers from universities and industry with different but complementary expertise and capabilities. The project combined three novel and promising approaches: Advanced metal-organic framework (MOF)-derived M-N-C catalysts with a high activity and impressive durability, Novel PGM-free specific cathode architectures and fabrication strategies capable of addressing the substantial flooding and transport resistances in thicker cathodes by introducing engineered hydrophobicity through additives and support layers, and Advanced electrode ionomers with high proton conductivity for low ohmic losses across the electrode and more uniform catalyst utilization. The implementation of these new materials and electrode designs was supported by a suite of advanced experimental and simulation tools that allows us to identify performance and durability bottlenecks, devise solutions, and establish rational material design and synthesis targets. These methods include advanced electrochemical characterization, high-resolution imaging, and multi-scale modeling. In addition, the project team leveraged a broad cross-section of the ElectroCat consortium’s national laboratory facilities and expertise in advancing these materials and design strategies. Finally, the industry partners on the project facilitated the evaluation of scaled-up synthesis and manufacturing in the United States. Over its four-year period, the project made significant year-over-year advances in PGM-free cathode performance and viability. A combination of high activity and highly durable catalysts were developed through novel catalyst synthesis strategies, which met several performance and durability targets. More specifically, a catalyst prepared from MOFs and Fe2O3 nanoparticles with ammonium chloride and chemical vapor deposition treatments yielded a significant advancement in PGM-free cathode durability. Several novel strategies for fabricating cathodes were demonstrated, including those designed to reduce flooding and thickness of the cells for significantly increased volumetric power density. An optimized cathode with high conductivity ionomer and tuned ink processing for hydrophobicity yielded high fuel cell performance with new levels power density and maximum current. The scientific studies and modeling assessment also provided an outlook for future efforts, including a focus on catalysts with an increased density of the highly stable active sites developed in this project.

08 HYDROGEN↗

Fundamental advantages of multijunction thermoradiative cells

Thermoradiative (TR) cells convert heat to work through emission of thermal radiation. Multijunction thermoradiative cells have received little research interest due to the apparent overlap with energy harvesting limits. Through detailed balance formalism, the present study models both single- and multi-diode TR devices, establishing their performance limits and identifying key factors that influence efficiency. For single-junction TR cells, we derive a relationship for the optimal bandgap and show that higher emitter temperatures increase efficiency. When the receiver is at absolute zero temperature, multijunction TR cells have little advantage over the single-junction cell in terms of the maximum output power density. However, for higher receiver temperatures, the multijunction configuration demonstrates significant improvements in both power and efficiency through the optimization of the chemical potential and bandgap of each diode in the complete ensemble. A 500 K emitter and 300 K receiver TR system can achieve a 21.25% increase in efficiency and a 10% improvement in the power density with multijunction architecture compared to a single junction through chemical potential optimization. These findings suggest that multijunction TR cells offer a promising approach to advancing low-grade heat recovery technologies for efficient heat-to-work conversion.

30 DIRECT ENERGY CONVERSION↗

CalWave's xWave Design for PacWave (Final Technical Report)

CalWave Inc. (CalWave) is developing a wave energy converter (WEC) technology that can generate electricity from ocean waves. CalWave’s design offers a unique approach to wave energy conversion that operates fully submerged and can actively adjust the wave excitation. This capability gives the architecture enhanced survivability in ocean storms without adding significant costs. Prior to this project, CalWave had completed a demonstration of a fully functional WEC system in an open ocean demonstration at nominal 1:5 scale under FOA 1663. The goal of this project was the detailed design, following relevant standards and industry best-practices, of a variant of the xWave WEC technology that can safely and efficiently operate at the DOE’s PacWave South test site for a targeted deployment of up two years. The WEC design and associated review processes proceeded in two distinct project phases: a ‘Preliminary’ and a ‘Final’ design phase. The first phase of the project consisted of the systematic design of the WEC’s key features with regards to appropriate IEC standards. The work resulted in a preliminary design of the xWave hull including structural and Power Take-Off (PTO) load estimates, as well as performance estimates for all ocean conditions the WEC would operate in at PacWave South. Following the first open-water demonstration of CalWave’s small-scale “x1” device under FOA 1663, lessons learned were fed directly into a comprehensive review of the xWave design in the second design phase of this FOA project. CalWave’s work was supported by Sandia National Lab (SNL) and the National Renewable Energy Lab (NREL) on the holistic WEC design, and detailed feedback from specialized partners on hull design, mooring and anchoring specification, and electrical grid interconnection. Optimization of the WEC system was performed using a novel numerical optimization tool developed by Sandia and optimization trends were confirmed via an experimental model scale tank test campaign. Performance estimates for PacWave and a detailed xWave design including integration of all relevant system components were concluded. The mooring design was also concluded in the Final design phase using the most up to date sea floor characterization (CPT) data.

16 TIDAL AND WAVE POWER↗

Advanced Gas Turbine and sCO 2 Combined Cycle Power System (Final Report)

The team of Southwest Research Institute (SwRI), Hanwha Power Systems Americas (HPSA), and Solar Turbines Incorporated (Solar) has worked to develop a modular, highly efficient combined-cycle power system consisting of a supercritical carbon dioxide (sCO 2 )-based waste-heat recovery system (WHRS) coupled to a Solar Titan 130 gas turbine (GT). During Phase 1 of the project, the project team used advanced thermodynamic cycle and techno-economic modeling to find an optimal sCO 2 WHRS bottoming cycle and machinery configuration for a Solar Titan 130. In addition to this, a conceptual design of the machinery and overall system layout was created and technology gaps were identified.

30 DIRECT ENERGY CONVERSION↗

Final Technical Report

The capture of CO2 and its simultaneously conversion to useful chemical fuels driven by solar energy represents one of the best solutions to resolve our growing energy and environmental concerns. The most critical challenge to this endeavor is the rational design of a photocatalytic architecture that can effectively couple a given photosensitizer (PS) with an appropriate catalyst, thereby enabling efficient photosensitization of a multi-electron reduction catalysis. This research program aims to address this challenge using an interdisciplinary approach that combines innovative material design and synthesis, fundamental mechanistic studies, and photocatalytic performance evaluation. The strategies include 1) constructing and investigating a novel class of 2D COF hybrid photocatalysts with an effective photoactive organic building block as PS and a precisely incorporated CO2 reduction molecular catalyst (MC); and 2) mechanistic origins of CO2 photoreduction using a set of complementary time-resolved and in situ spectroscopic techniques. The novelty of the proposed hybrid system lies in the unprecedented combination of the unique advantage of porous crystalline COF PS with the precise catalytic function of MC for photocatalytic CO2 reduction. In the periods of the support (09/01/2019-12/31/2022), we have made research progress in four projects: 1) Exploring 2D COFs with incorporated Mn complex for light driven CO2 reduction; 2) The dependence of excited state and charge transfer dynamics on monomer structure of 2D COFs; and 3) Control over Charge Separation by Imine Structural Isomerization in Covalent Organic Frameworks with Implications on CO2 Photoreduction; and 4) The impact of monomer structure on the photoluminescence properties of COFs. We found that both monomer structure and linker chemistry can effectively impact the excited state dynamics, charge transfer properties, and photoluminescence quantum yields, the important properties that dictate their applications in photocatalysis. In addition, we found that the direction of imine linker determines charge transfer direction and thus controls the types of catalytic reactions (e.g. water oxidation or CO2 reduction reactions). The result from these fundamental studies provides important information for correlating the structure of the COF photocatalysts with their photophysical properties and catalytic functions, paving the way for their novel application in photocatalysis. We expect that our findings will contribute to addressing current shortcomings of semiconductor- and molecular-based photocatalytic systems that suffer from inefficient light harvesting and charge separation and poor adsorption and activation of reactants. In turn, this research will contribute towards the development of novel photocatalytic systems for CO2 reduction to generate renewable chemical fuels and simultaneously address the problem of mitigating climate change due to CO2 accumulation. In addition, the experimental approaches employed in this research can be easily transferred to other energy technologies and are expected to broadly impact fields involving photocatalysis, optoelectronic devices, and solar energy conversion. The proposed research has also been integrated with educational activities and serve as a basis to raise awareness around the critical issues of global energy production and consumption, and to develop the next generation of solar energy scientists.

14 SOLAR ENERGY↗

Additive Manufacturing Case Study

Geothermal technologies include an extremely wide range of products required for well construction, completion, production, intervention and surface energy conversion activities. Many of these products are geometrically complex, require multi-step and highly specialized fabrication processes, and are expensive due to the low production numbers typically associated with the geothermal market. These challenges along with the high temperature demands of the geothermal environment have also hindered the adoption of many tools routinely used in the oil & gas industry.Recent advancements in Additive Manufacturing (AM) materials of construction, build volumes and part quality have transitioned the technology from primarily cosmetic prototyping applications to the point where AM can be used to make production parts, even for the most demanding applications. These improved AM capabilities along with the inherent ability of AM to produce complex parts and, in some cases, geometries that cannot be manufactured using conventional casting, machining and joining fabrication approaches motivate an exploration of its potential to positively impact geothermal well construction and operations technologies.Sandia National Labs collaborated with Oak Ridge National Laboratory on a case study examining additive manufacturing opportunities for Geothermal applications. The study focused on designing components with improved performance characteristics that cannot be fabricated conventionally. A rotor for a downhole motor was chosen based on the potential for improving its rotational dynamics. Topology optimization was used as a design method to reduce the rotational inertia of the part while preserving sufficient rotational stiffness to transmit the torque required for the drilling application. The optimization resulted in a nearly 50% reduction in polar moment of inertia while maintaining other desired performance characteristics. The design developed using the topology optimization approach was fabricated using additive manufacturing and cannot be fabricated conventionally. This paper will discuss the design approach, performance improvements and manufacturing methods used to produce the part.

Polsky, Yarom↗

Imaging Nanoscale Energy Transport and Conversion with Ultrafast Electron Microscopy (Final Technical Report)

Light-matter interactions are ubiquitous in nature and reside at the heart of innumerable technologies. The cascade of processes that occur when a material absorbs a photon of light are exceedingly complex and are interwoven in both space and time, rendering precise determination of the atomic-scale and ultrafast mechanisms immensely challenging. The advent of methods for generating short pulses of light several decades ago led to major advances in understanding the initial moments of light absorption and the resultant effects, though directly interrogating the response of the atoms within the material continued to prove challenging. More recently, methods for generating ultrashort pulses of X-rays and fast electrons have opened the way to probing photoinduced structural dynamics of a wide range of matter in multiple phases. An especially promising laboratory-scale method is ultrafast electron microscopy (UEM), wherein the modalities of conventional transmission electron microscopes (imaging, diffraction, spectroscopy) are extended into the femtosecond temporal regime. Here, the ultrafast imaging and diffraction modalities of UEM were used to study the transient structural aspects of photoexcitation of semiconducting materials (e.g., spatially-resolved electron-phonon coupling, excitation and emission of acoustic phonons, and discrete nanoscale scattering processes). The project had three main objectives: (1) determination of the excitation mechanisms of dense, hypersonic charge-carrier waves and the spatially mediated means by which they couple to the lattice via coherent phonon emission, especially with UEM imaging, wherein effects of nanoscale structural and morphological features on the coupling and relaxation dynamics are expected to dictate nucleation sites and preferred wave vectors, (2) elucidation of photoinduced acoustic-phonon seeding, emergence, propagation, and decay over nanoscale crystal regions and especially with respect to local strain fields and atomic-scale disruptions in lattice order, and (3) interwoven with the first two were efforts aimed at realizing combined angstrom-femtosecond spatiotemporal imaging with UEM. The outcomes and impacts of this project were the generation of new knowledge with respect to fundamental light-matter interactions and, especially, the spatially-mediated excitation and evolution of the structural response of materials following coherent photoexcitation. Importantly, the spatial and temporal resolutions of the UEM imaging modalities used are well-suited for such studies and enable spatially-resolved mechanisms to be determined as a function of atomic order, structural features, and morphology. In addition, ultrafast crystallographic measurements were used to correlate real- and reciprocal-space dynamics in order to determine atomic-scale preferential wave vectors and ultrafast scattering mechanisms, especially as dictated by specimen boundary conditions. The obtained results, as detailed in peer-reviewed publications and presentations, illustrate the importance of ultrafast, angstrom-scale real-space imaging for developing a comprehensive understanding of energy transport and conversion in materials.

47 OTHER INSTRUMENTATION↗

New Directions for Thermoelectrics: A Roadmap from High‐Throughput Materials Discovery to Advanced Device Manufacturing

Thermoelectric materials, which can convert waste heat into electricity or act as solid‐state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering materials with high thermoelectric conversion efficiency is a complex and slow process. The emerging field of high‐throughput material discovery demonstrates its potential to accelerate the development of new thermoelectric materials combining high efficiency and low cost. The synergistic integration of high‐throughput material processing and characterization techniques with machine learning algorithms can form an efficient closed‐loop process to generate and analyze broad datasets to discover new thermoelectric materials with unprecedented performances. Meanwhile, the recent development of advanced manufacturing methods provides exciting opportunities to realize scalable, low‐cost, and energy‐efficient fabrication of thermoelectric devices. This review provides an overview of recent advances in discovering thermoelectric materials using high‐throughput methods, including processing, characterization, and screening. Advanced manufacturing methods of thermoelectric devices are also introduced to realize the broad impacts of thermoelectric materials in power generation and solid‐state cooling. In the end, this article also discusses the future research prospects and directions.

Song, Kaidong↗

Influence of fuel ash on the recoverability of copper from the spent material of chemical looping combustion

Chemical looping combustion (CLC) is an advanced energy production technology that inherently separates the CO 2 generated. The oxygen needed for fuel conversion is supplied by the oxygen carrier. When using copper-based oxygen carriers, oxygen carrier attrition is a challenge to the process economics, unless the attrited copper that is mixed with fuel ash in the spent material can be recovered by, for instance, acid leaching. However, fuel ash may transform the attrited copper into certain complexes of low leachability (e.g., CuAl 2 O 4 ), hindering the copper recovery. In this study, the copper content in the spent material was first evaluated. The effects of ash composition and copper content on the occurrence mode of copper in spent material were predicted by thermodynamic modeling. Redox cycles of simulated spent materials based on various coal ashes were performed to reveal the characteristics of CuAl 2 O 4 /CuFe 2 O 4 formation. The CuO-Al 2 O 3 reaction was investigated under the temperatures and solid residence times experienced in CLC. The materials were analyzed by X-ray diffraction. The results suggest that the fuel ash with a high Al/Ca ratio may lower the recoverability of copper when the temperature is above 925 °C. The slow formation of CuFe 2 O 4 is not expected to affect the copper recovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stacking Independence and Resonant Interlayer Excitation of Monolayer WSe 2 /MoSe 2 Heterostructures for Photocatalytic Energy Conversion

Here, we report a comparison of the photocatalytic performance of WSe 2 -on-MoSe 2 and MoSe 2 -on-WSe 2 heterostructures. While built-in electric fields exist in these heterostructures on the order of 100 kV/cm due to band offsets between these two materials, the photocatalytic performance (i.e., photocurrent) is independent of the stacking order of the two materials. Solving Poisson’s equation under these conditions, we find that the built-in electric field produced in the heterostructure is at least 1 order of magnitude smaller than that produced in the electrochemical double layer (i.e., Helmholtz layer). Mott–Schottky measurements indicate that transition metal dichalcogenides (TMDCs) on ITO electrodes have similar capacitance to that of bare ITO, providing further evidence that the interfacial electric fields produced in the solid state heterostructure are negligible compared to the fields generated by the ions in solution. The photocatalytic performance of these heterostructures provided the largest relative enhancement in the heterojunction region under 920 and 785 nm irradiation compared with 532 and 633 nm wavelength excitation. Here, the 920 nm (1.35 eV) photons lie below the band gaps and produce very little photocurrent in the constituent monolayer materials but resonantly excite the interlayer optical transition in the heterostructure, producing a 5-fold enhancement in the measured photocurrent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermally Activated Delayed Photoluminescence: Deterministic Control of Excited-State Decay

Thermally activated photophysical processes are ubiquitous in numerous organic and metal-organic molecules, leading to chromophores with excited state properties that can be considered an equilibrium mixture of the available low-lying states. Relative populations of the equilibrated states are governed by temperature. Such molecules have been devised as high quantum yield emitters in modern organic light-emitting diode technology and for deterministic excited state lifetime control to enhance chemical reactivity in solar energy conversion and photocatalytic schemes. This recent discovery of thermally activated photophysics at CdSe nanocrystal-molecule interfaces enables a new paradigm wherein molecule-quantum dot constructs are used to systematically generate material with predetermined photophysical response and excited state properties. Semiconductor nanomaterials feature size-tunable energy level engineering, which considerably expands the purview of thermally activated photophysics beyond what is possible using only molecules. This Perspective is intended to provide a non-exhaustive overview of the advances that led to the integration of semiconductor quantum dots in thermally activated delayed photoluminescence (TADPL) schemes and to identify important challenges moving into the future. The initial establishment of excited state lifetime extension utilizing triplet-triplet excited-state equilibria is detailed. Next, advances involving the rational design of molecules composed of both metal-containing and organic-based chromophores that produce the desired TADPL are described. Lastly, the recent introduction of semiconductor nanomaterials into hybrid TADPL constructs is discussed, paving the way towards the realization of fine-tuned deterministic control of excited state decay. It is envisioned that libraries of synthetically facile composites will be broadly deployed as photosensitizers and light emitters for numerous synthetic and optoelectronic applications in the near future.

14 SOLAR ENERGY↗

A hybrid inorganic–biological artificial photosynthesis system for energy-efficient food production

Artificial photosynthesis systems are proposed as an efficient alternative route to capture CO 2 to produce additional food for growing global demand. Here a two-step CO 2 electrolyser system was developed to produce a highly concentrated acetate stream with a 57% carbon selectivity (CO 2 to acetate), allowing its direct use for the heterotrophic cultivation of yeast, mushroom-producing fungus and a photosynthetic green alga, in the dark without inputs from biological photosynthesis. An evaluation of nine crop plants found that carbon from exogenously supplied acetate incorporates into biomass through major metabolic pathways. Coupling this approach to existing photovoltaic systems could increase solar-to-food energy conversion efficiency by about fourfold over biological photosynthesis, reducing the solar footprint required. This technology allows for a reimagination of how food can be produced in controlled environments.

59 BASIC BIOLOGICAL SCIENCES↗

Elucidating the Origins of High Capacity in Iron-Based Conversion Materials: Benefit of Complementary Advanced Characterization toward Mechanistic Understanding

Lithium-ion batteries are recognized as an important electrochemical energy storage technology due to their superior volumetric and gravimetric energy densities. Graphite is widely used as the negative electrode, and its adoption enabled much of the modern portable electronics technology landscape. However, developing markets, such as electric vehicles and grid-scale storage, have increased demands, including higher energy content and a diverse materials supply chain. Alternatives that provide the opportunity to increase capacity and address supply chain concerns are of interest. Understanding the fundamental mechanisms that govern battery function is crucial to driving further improvements in the field. Advanced characterization techniques, such as those enabled by synchrotron light sources and high-resolution electron microscopes, that can uncover these mechanisms have become a necessity for elucidating structural evolution upon electrochemical conversion at the nano- to mesoscales. Performing these experiments with relevant electrochemistry using in situ and operando experiments imparts the ability to identify critical reaction pathways and capture intermediate (dis)charge products not discernible by traditional experiments.

36 MATERIALS SCIENCE↗

Cooperative Research and Development Agreement (CRADA) between National Energy Technology Laboratory and Susteon, Inc. (Final Report)

NETL developed a nanostructured Fe catalyst capable of converting syngas to olefins. Initial laboratory testing demonstrated this technology possessed high reactivity (~70% conversion), good olefin selectivity (~40 weight %), and a long-performance lifetime (greater than 500 h on stream with no degradation). Under CRADA Agreement 0988, NETL and Susteon collaborated to evaluate the commercial potential of this catalyst technology by scaling up the catalyst synthesis and collecting reactivity data to characterize the mass and energy balance associated with utilizing this catalyst in a Fischer Tropsch to Olefins (FTO) reactor. Research under CRADA Agreement 0988 illustrated there are technical barriers associated with synthesizing the catalyst that the team was not able to overcome. Reactivity testing with this material illustrated that the catalyst deactivated in less than 50 hours of time on stream. Due to this technical barrier, the team did not meet its Go/No-Go decision target of creating a FTO process that produces at least a 25% reduction in olefin production cost compared to the current state-of the-art technologies. As a result, the team has stopped all work on CRADA Agreement 0988.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CFD Simulation of Aerobic Gas Fermentation to Enable Commercial Conversion of CO 2 into Aquaculture and Animal Feed: Cooperative Research and Development (Final Report)

NovoNutrients’ fermentation technology uses energy from hydrogen to transform industrial CO2 emissions into premium animal feed ingredients and other valuable products. A single NovoNutrients’ commercial manufacturing plant will capture and convert over 200,000 tons/yr of CO2 into over 100,000 tons/yr of high-protein feed. Key to the rapid and widespread deployment of the technology is maximization of its productivity and energy efficiency. Robust, physically based computational models of the technology will significantly increase productivity and efficiency, accelerating NovoNutrients’ technology to manufacturing scale. NREL has unique capabilities for creating and running such computational models. NREL's existing aerobic bioreaction computational fluid dynamics (CFD) models will be adapted to NovoNutrients’ gas fermentation (CO2, H2, O2) technology. The multiphysics CFD simulations require thousands of high-performance computing (HPC) node hours to simulate the complex geometries and contents of NovoNutrients’ industrial bioreactors. The experimentally validated CFD models were used to identify optimally efficient and productive bioreactor designs and operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗