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At least 1,783 records · Page 99

From Research to Reality -- Challenges and Opportunities in Complex System Design

The scope and scale of our interconnected society requires that we view the world through a complex system lens, where numerous parts interact, and emergent behaviors are the norm. Understanding complex systems is critical for decision-making and policy development in domains such as ecological systems, financial markets, supply chains, and global transportation systems, where decision-makers need reliable information to predict the impact of decisions that may play out over decades. Traditional approaches to the research that produces this information are often insufficient, where hypotheses are tested in an isolated environment, and where the results may not carry over to the integrated system. There are a multitude of advancements in system engineering, artificial intelligence, and test and evaluation that are emerging to meet the challenge. Approaches such as agile development, model-based system engineering, design of experiments, large language models, and formal ontologies are providing ways to manage complexity and increase our collective ability to make the changes that we want to see in the world. In this talk I will provide a few examples related to the architecture of the National Airspace System (NAS), where we have investigated the use of large language models, basic formal ontology, and applied category theory to help researchers and system engineers be more effective in this complex design space. Bio: Dr. Ian Levitt’s current research focus is on the complex evolution of the National Airspace System. Prior to joining NASA in 2020, he was with the FAA leading international standards and national laboratory development for the agency. Dr. Levitt earned his PhD in mathematics from Rutgers University in 2009. His mission is to promote a healthy and continuous transformation of society through open information and cooperation.

Ian Levitt↗

Evaluating Crystallinity in Thermoplastic composites

Polymer matrix composites (PMCs) offer many benefits for the aerospace industry due to their potential for weight reduction when compared to metal or ceramic based materials. Most PMCs currently in flight use thermoset matrices, however, thermoplastic resins are being explored as alternatives due to their ability to be remelted, which is of particular interest due to the potential for in-situ repair and manufacturing required in space. Most thermoplastic resins are semicrystalline polymers. The properties of semicrystalline thermoplastics are largely influenced by their crystallinity, which can vary due to many factors including thermal treatments, environmental conditions, and mechanical deformation. Monitoring the crystallinity of thermoplastic composites is key to ensuring these materials reliably meet the high demands required by space exploration. This talk discusses the use of multiple techniques such as Polarized Light Optical Microscopy and Fourier-Transform Infrared Spectroscopy to characterize the crystallinity in various thermoplastic composites, including carbon fiber reinforced PMCs and novel bio-based Martian and Lunar regolith composites designed for in-situ manufacturing. This work aims to provide the fundamental data necessary to understand the effects of crystallinity on thermoplastic PMCs, which is key to advancing their use in space applications.

Thermoplastics↗

Micromechanical Design of Carbon Nanotube Ribbon Reinforced Polymer Composite Materials

Lightweight materials are an important component of the design of aerospace structures. Carbon nanotube materials have been considered for this purpose due to the strength and stiffness of individual nanotubes, and the commercial availability of bulk formats such as fibers. These fibers can have a ribbon cross section which results in a different design space for their composites relative to traditional reinforcements which have a round cross section. This work applies brick-and-mortar micromechanical models and classical lamination theory with an inverse approach to investigate the design space of these composites. Using this approach, the influences of fiber geometry and axial and transverse mechanical properties are mapped. Finally, a sensitivity study is performed and the relative impacts of ±10% variations in the constituent material and geometric properties are ranked. Lamina axial moduli were found to range from a maximum of 3x to 1x minimum relative to a target quasi-isotropic laminate modulus depending on the anisotropy and shear modulus of the lamina. The fiber targets depended strongly on the fiber volume fraction in the lamina and the fiber axial modulus target was found to range from 4.8x to 3.2x the quasi-isotropic laminate target. The sensitivity analysis found that the largest driver of performance was the volume fraction, followed by the fiber axial modulus. While bio-based brick-and-mortar composites, such as nacre, can benefit from reinforcement aspect ratios above 10, for carbon nanotube ribbon (or carbon fiber)/polymer composites the sensitivity study indicated that the optimal cross-sectional aspect ratio was relatively smaller, potentially less than three.

Micromechanics↗

Analyzing Next-Generation Supply Chains Using the Materials Flows through Industry Tool

The Materials Flows through Industry (MFI) tool is a supply chain modeling tool developed at the National Renewable Energy Laboratory (NREL) with funding from the Department of Energy's Advanced Manufacturing Office. MFI was created to identify and analyze opportunities to reduce the energy and carbon intensities of the U.S. industrial sector (Hanes and Carpenter 2017). In this work, we present an overview of the MFI tool's structure and capabilities, as well as the results of using MFI to analyze a novel NREL-developed process to 'upcycle' PET plastic into higher-value composite materials (Rorrer et al. 2019). This process combines recycled PET (rPET) plastic with inputs that can be derived from biomass, including muconic acid, acrylic acid, and ethylene glycol, to chemically break down the plastic back to its monomers in a process called glycolization. Then, repolymerization and the application of fiberglass yields the valuable glass fiber reinforced plastic (GFRP) composite, a performance material used in the manufacture of wind turbine blades, boat hulls, and other applications. This rPET-derived GFRP was found to have superior strength and fiberglass adhesion compared to conventional GFRP formulations. Our findings indicate that this GFRP production process, were it to be widely commercialized beyond its current lab-scale, could potentially reduce the fossil energy intensity of the GFRP supply chain by between 37% and 58% compared to the conventional method of GFRP manufacture from fossil-derived inputs. We also estimate potential supply chain greenhouse gas (GHG) emissions reductions between 30% and 40% from this process. Scaling these GHG offset estimates up to annual GFRP production in the U.S. would be roughly equivalent to removing between 150,000 and 200,000 vehicles from U.S. roads. These ranges of impact estimates represent the range of differences associated with the various economic allocation methods we have assumed for the intensity contributions from the first life of the PET plastic. Following Shen et al. (2010), we derive economic allocation factors from the current price ratios of clear- and green-colored recycled PET plastic to virgin PET resin ('waste-valuation' approach) or assume them to be zero in a more simplistic allocation ('cutoff' approach). Future work involving the MFI modeling tool will also be discussed, including preliminary results comparing the energy intensity of conventional and bio-based nylons manufacturing. Attendees will also be encouraged to conduct MFI supply chain modeling of their own by requesting a user account on the MFI web application, which is freely available to the public at the following address: https://mfitool.nrel.gov.

36 MATERIALS SCIENCE↗

Conversion, Stability, and Selectivity Improvements Through Catalyst Development for the Reductive Etherification Reaction

Economical pathways from lignocellulosic non-food biomass feedstocks to biofuels with appropriate fuel properties are necessary for displacing fossil-fuel derived diesel use in medium-/heavy duty vehicles. Oxygenated compounds have recently shown promise due to low sooting tendencies and autoignition properties and molecules with sufficiently high carbon numbers can meet the requisite standards for water solubility and flash point. Coupling waste biomass derived small molecules into bioblendstock targets through the reductive etherification reaction shows potential for increasing molecular weight without losing the advantages of oxygenates. However, the transition to industrial viability for this process is limited by strong catalyst deactivation in typical flow reactor systems. Strong acid resins such as Amberlyst-15 (A-15) show excellent activity in batch reactions but are limited to low temperatures and are poisoned by the side-product, water. In this talk, I will describe our recent work in catalyst synthesis and testing to select superior options with improved aqueous and thermal stability in reductive etherification flow reactions. Water-tolerant solid acid catalysts have potential to improve the conversion and selectivity to the ether target at temperatures above the degradation point of A-15. Analysis techniques such as physisorption, chemisorption, x-ray diffraction and transmission electron microscopy are being used to characterize the active sites. These techniques are also being used to evaluate degradation of the catalyst after extensive flow reactions in addition to comparative efficiency testing with standardized cyclohexene hydrogenation reactions. Finally, I will discuss a demonstration of the full pathway from bio-derived butyric acid to the performance-advantaged ether product and the additional obstacles from side-products and purification limitations in the preliminary upgrading reactions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Atomic Layer Deposition for Enhanced Reactivity and Stability of Biomass Conversion Catalysts

Heterogeneous catalysts are an essential tool in the transition towards a sustainable, bio-based economy for fuels and chemicals. However, the harsh conditions (e.g., high temperatures, acidity, oxidizing/reducing environments) of many key biomass conversion processes give rise to nanoparticle sintering, support collapse, and metal leaching in conventional PGM catalysts. Active site poisoning due to the relatively high sulfur content of most biomass feedstocks further compounds these durability problems. Next-generation catalysts must be developed to address these stability challenges. In this work, we used a scalable atomic layer deposition (ALD) process to modify conventional Pd-based hydrogenation catalysts to generate significant performance improvements. TiO2 ALD coatings were found to increase the activity of Pd/Al2O3 catalysts towards naphthalene hydrogenation; additionally, these coatings improved the catalyst's resistance to sulfur poisoning and thermal stability under oxidative calcination. Additional work in which Al2O3 ALD coatings were applied to Pd/TiO2 catalysts for muconic acid hydrogenation found similar stability benefits, including improved resistance to Pd leaching in the acidic environment. ALD technology holds great potential in the development of next-generation catalysts for biofuels and bioproducts and this work constitutes an important examination of applying ALD coatings to supported Pd hydrogenation catalysts.

ALD↗

Molecular Weight Distribution Analysis of Pyrolysis Oils by Gel Permeation Chromatography

Comprehensive analysis of the molecular weight distribution of raw and catalytic fast pyrolysis oils derived from biomass remains a key technical hurdle to understanding oil quality as it relates to downstream use and multiple methods may be necessary to accurately represent all components present. Here, we report the molecular weight distribution metrics of fast pyrolysis (FP) and catalytic fast pyrolysis (CFP) oils as determined by gel permeation chromatography (GPC) combined with UV-diode array (UV), differential refractive index (RI), and multi-angle laser light scattering (MALS) detection. The measured molar mass distributions revealed that FP oil consisted of a higher proportion of larger products relative to the low molecular weight products contained in the CFP oil. GPC/RI and UV methods showed FP oil to have higher weight-average molecular weight (Mw) and number-average molecular weight (Mn) than CFP oil based on elution time. However, GPC/MALS, determined the two oils to have similar overall molecular weight distribution metrics (Mw and Mn) and yielded values significantly higher than those determined by RI and UV detectors relative to external standards. Overall, the use of a multiple detection GPC method could enable a more accurate comparison and determination of true molecular weight metrics of bio-oils.

BIOMASS FUELS↗

Supporting Bioproducts Industry Growth with a System Dynamics Decision-Support Tool

A bio-based economy requires chemical products as well as fuels to be produced from biomass. Although a variety of universities, government agencies, start-ups and established firms have engaged in bioproduct development, many projects have failed to reach the point of commercialization and commercialized bioproducts struggle to capture and maintain market share. To date, there has been no general research into the factors that contribute to bioproduct failure or success. This work presents the Bioproduct Transition Dynamics (BTD) system dynamics model, a decision-support tool that simulates the bioproduct development process from pre-piloting research through construction of the first commercial-scale plant, as well as the processes of obtaining funding from investors and government agencies. The core of the BTD is a feedback loop between bioproduct developers and funders, which relates development progress measured with indicators such as net present value to funders’ decisions to continue investing. External factors such as feedstock prices, market size and growth, and the existence of bioproduct consumers also influence a development project’s chances of receiving follow-on funding. Virtually any bioproduct can be represented with the BTD: direct replacements, performance-advantaged products, niche and commodity markets can all be modeled. The goal of the BTD project is to inform decisions made by developers in both established firms and start-ups, investors, government agencies, and other stakeholders interested in growing the nascent U.S. bioproducts industry. This talk will cover the general structure and functionality of the BTD, and present results from an analysis performed with the BTD to demonstrate its use as a decision-support tool and the insights it can provide. The goal of the analysis is to identify the most critical factors that lead to direct replacement and performance-advantaged bioproduct projects emerging successfully from the “Valley of Death”, and to determine if these factors differ between the two bioproduct types.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NREL's Biochemical Conversion Pilot Plant Capabilities

NREL's biochemical conversion plant is a flexible pilot plant for testing a wide range of bio-based technologies for producing renewable fuels and byproducts. The biochemical conversion pilot plant is housed in the Integrated Biorefinery Research Facility located on the National Renewable Energy Laboratory's (NREL's) main campus. The facility provides industry partners the opportunity to test and develop their own biorefining technology using NREL equipment or rental equipment that can be brought into the plant. The pilot plant can process materials up to one dry ton per day in an integrated fashion using a variety of operating modes including batch, fed-batch, and continuous processing.

biochemical↗

Atomic Layer Deposition for Enhanced Reactivity, Stability, and Sulfur Tolerance of Hydrogenation Catalysts

Heterogeneous catalysts are an essential tool in the transition towards a sustainable, bio-based economy for fuels and chemicals. However, many key biomass conversion processes utilize harsh conditions that lead to nanoparticle sintering, support collapse, and metal leaching in conventional PGM catalysts. Active site poisoning resulting from the relatively high sulfur content of most biomass feedstocks further compounds these durability problems. Next-generation catalysts must be developed to address these stability challenges. In this work, we have used atomic layer deposition (ALD), to modify a conventional Pd/Al2O3 hydrogenation catalyst and generate improvements in its stability and sulfur tolerance, as well as overall catalyst activity. Ten cycles of TiO2ALD were applied to Pd/Al2O3 using a proprietary coating process developed by industry partners. The coated catalyst (10cTiO2), alongside uncoated Pd/TiO2 and Pd/Al2O3 controls, was characterized in-depth and naphthalene hydrogenation was used as a probe reaction to assess activity. The 10cTiO2 catalyst was observed to be significantly more active towards hydrogenation than uncoated Pd/Al2O3, despite evidence that the ALD coating suppressed chemisorption uptake through coverage of Pd. In order to reconcile these seemingly contradictory findings, interactions between the Pd nanoparticles and TiO2ALD coating were investigated via XAS and computational modeling. The catalysts were also assessed for their sulfur tolerance, thermal stability, and hydrothermal stability. Each of these catalyst stability parameters was enhanced by application of the TiO2ALD layer; the mechanisms by which the layer may have mitigated these degradation processes will be discussed. ALD technology holds great potential in the development of next-generation catalysts for biofuels and bioproducts and this work constitutes an important examination of the expected and unexpected benefits of applying TiO2ALD coatings to supported Pd hydrogenation catalysts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

BETO 2021 Peer Review - Catalytic Upgrading of Pyrolysis Vapors 2.3.1.314

Catalytic fast pyrolysis (CFP) is a versatile pathway for the direct liquefaction of biomass and waste carbon sources to generate a stabilized bio-oil intermediate that can be further processed into renewable fuels, chemicals, and materials. The objective of this project is advance the CFP state-of-technology through integrated catalyst and process development, expand market responsiveness by creating routes to novel co-products, and provide experimental data to inform process modelling and scale-up activities. Research advancements over the past two years include reducing analytical uncertainty by achieving 100 ± 1% carbon balances during reaction testing with woody biomass, improving process efficiency by achieving a 4x increase in catalyst cycle length, demonstrating compatibility with waste feedstocks, and confirming process durability for 100+ reaction cycles. Additionally, this project supported a comprehensive pathway review to evaluate scale-up needs. This review resulted in the early identification of technical risks and informed proactive planning for the BETO 2022 Verification. Other impacts from this project include generation of broadly enabling scientific knowledge (14 publications/18 presentations since 2019), engagement with industry partners (e.g., Johnson Matthey and ExxonMobil), and identification of a promising pathway to market that addresses emerging demands for biogenic refinery feedstocks.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

BETO 2021 Peer Review - Thermochemical Platform Analysis WBS: 2.1.0.302

The objective of the NREL Thermochemical Platform Analysis (WBS 2.1.0.302) project is to inform and guide R&D priorities for thermal and catalytic conversion processes by providing process design and techno-economic analysis (TEA). This is achieved through close collaboration with researchers and external experts, along with the use of both commercially available modeling tools and the development or use of collaboration-derived domain-specific tools and resources, such as refinery integration, kinetic and reactor models, phase equilibrium models, and pertinent bio-products market studies. This project is directly aligned with DOE-BETO goals, with the enabling of technology advancements and cost reduction for biomass derived biofuels being one of its primary objectives. TEA-guided research facilitated by this project has helped achieve significant modeled cost reductions for the ex situ catalytic fast pyrolysis (CFP) pathway and the indirect liquefaction (IDL) pathway for the conversion of syngas to high-octane gasoline (HOG). Cost reduction through refinery integration, development of valuable co-products, and other options are being identified for future research to help reduce the modeled MFSP to $2.50/GGE by 2030. Additional priorities anticipated in the future, such as the use of renewable electricity for liquid fuels and products, and emphasis on waste utilization are also being explored in conjunction with research on catalytic utilization of syngas and other gases (including CO2). Industry-relevant parameters are given deliberate attention as part of the work done under this project to help answer questions important for future commercialization and address associated risks.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

BETO 2021 Peer Review - Rational Design of Robust Reactor Feeding Systems for Heterogeneous Cellulosic and Agricultural Wastes Based on Biomass Quality Characteristics

Consistent and reliable preprocessing, conveyance, and reactor in-feed systems, particularly for low-cost waste feedstocks, remains a major technical challenge for the emerging Bioeconomy. By identifying critical biomass attributes and connecting them to flow and conversion behavior, science-driven system designs can address these often-overlooked solids handling challenges. The Wonderful Company (TWC) is the world's largest almond and pistachio grower, generating 250,000 dry tons/year of waste material including hulls, shells, and wood (>5 million tons/year industry wide in the U.S.). This project seeks to turn this environmental and economic liability into a sustainable and profitable resource, targeting conversion via gasification to syngas for electricity and bio-char, by addressing related material handling and feeding challenges. Based on optimized preprocessing strategies, bulk material flow, and thermal conversion properties, an overall system design will be developed. The methodology will be tested with FCIC's benchmark loblolly pine residues, to demonstrate the robustness of the overall approach and provide insight and guidance for future systems. The project will culminate in extended field trials to demonstrate an improved continuous feeding system with a commercial biomass-to-electricity gasifier vendor, and an economic analysis demonstrating a reduction in electricity production costs by maximizing on-stream time while minimizing preprocessing and CapEx costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Devices for fluid management

Disclosed herein are embodiments of devices for managing fluid transport. In particular disclosed embodiments, the devices are used to manage fluid transport in reactor systems, such as bio-assessment systems, chemical synthesis reactors, and the like. The devices disclosed herein include fluid management devices, reservoir assemblies, valving systems, pumps, and combinations thereof. The devices disclosed herein are cost-efficient and user-friendly and can be implemented in a variety of reactor systems.

Iyer, Rashi↗

Comparison of temperature adaptive calibration methods for laser induced fluorescence based fuel-in-oil instrument

Fuel dilution of engine oil (or fuel-in-oil, FiO) is an important issue as multiple and late-cycle fuel injection, integral to many combustion efficiency and emissions improvements (e.g., downsized boosted gasoline engines and catalyst thermal management) increases FiO rate. In addition to causing general wear and corrosion in engine due to decreased oil viscosity and pH buffering, FiO is also believed to cause destructive low speed pre-ignition (or super knock) in boosted SI engines. To understand the effects of engine operating conditions on the FiO rate, an optical diagnostic capable of measuring transient FiO on minute timescales was recently developed and demonstrated on a modified GM Ecotech engine system (Neupane et al., Applied Spectroscopy 2021). The measurement is based on adding a dye to the fuel and monitoring for its presence in oil via laser-induced fluorescence (LIF). The measured LIF signal is related to FiO concentration via pre-determined calibration factors using a multivariate classical least square (CLS) method.Since fluorescence quantum yield is a function of temperature, measured LIF intensity not only depends on FiO concentration but also oil temperature. To expand the applicability of the FiO diagnostic to transient oil-temperature conditions (e.g., cold start in practical engines), this study develops a method to account for oil-temperature variations. The effect of oil temperature (20°C - 95°C) on the LIF spectra of eight FiO samples ranging from ~0.8-15% was investigated. LIF intensities of the FiO samples decreased linearly with increasing temperature; the reductions being more significant at dye peaks. We develop a new calibration model (T-adaptive CLS) incorporating the temperature (T) effects on LIF intensity that enables simultaneous calculation of FiO and oil temperature. The improved FiO diagnostic with T-adaptive calibration is more robust, and applicable to varying oil-temperature conditions. For example, when strategies such as multiple/late fuel injections are applied to overcome cold-start instability due to use of low vaporization bio-based fuels such as ethanol, FiO rate is expected to be very high; the improved T-adaptive FiO diagnostic is hence relevant for engine- and fuel-system calibration and optimization. The diagnostic could also provide validation data for flow-field and spray interaction CFD models, further broadening the diagnostic’s utility for advancing engine technology and efficiency.

Neupane, Sneha↗

Means and methods for treating copper-related diseases

The present invention relates to the field of (bio-)medicine, and more particularly to the treatment of copper-related diseases. Novel means and methods for depleting (excess) copper from organs and/or the circulation are provided. Agents with a high copper binding affinity and stabilized forms thereof are provided, as well as a novel treatment regimen. The means and methods of the present invention are particularly useful for treatment of Wilson Disease, but also for treatment of other conditions.

Zischka, Hans↗

The organic redox transistor for neuromorphic computing

Inspired by the in-memory computing architectures of biological systems, neuromorphic computing using crossbar arrays of artificial synapses based on non-volatile memory (NVM) devices with variable conductances has emerged as a new paradigm to enable massively parallel and ultra-low power computing hardware for data centric applications. Although inference has been demonstrated successfully using crossbars based on a variety of NMV technologies, efficient learning and scaling to large arrays (>10 6 elements) remains a challenge due to the synaptic elements' non-ideal electrical characteristics which degrades ANN accuracy. A further challenge is that in the conductive state memristors draw large currents >μA resulting in significant voltage drops in the interconnect wires and increased probability of failure in scaled arrays. We suggest the organic polymer redox transistor (RT) is an alternate approach that could solve many of these challenges, enabling both inference and parallel outer product updates, as recently demonstrated by Fuller et al. An RT consists of redox-active channel and gate electrodes in contact with a liquid or solid electrolyte. lon insertion through the electrolyte controls the channel electronic conductivity, while electron transfer through an external circuit maintains overall charge neutrality. Unlike a rechargeable battery, in the RT the voltage built-up across the electrolyte is kept to a minimum (typically <100 mV) by using the same material for the gate and channel. Elimination of the voltage offset simplifies integration of the RT into programmable arrays by enabling the use of various selectors. RTs based on inorganic and organic materials have been recently demonstrated with conductance tuning occurring at potentials of just a few mV and hundreds to thousands of linearly and symmetrically programmable conductance states, enabling near ideal accuracy in neural network simulations. Introduced in the 1980's, redox transistors with metallic gate electrodes and organic channel materials, also known as organic electrochemical transistors (OECTs), have been explored for a variety of applications such as chem- and bio-sensing, neural interfaces, and low cost printed circuits. A typical channel material for OECTs is the conducting polymer poly(3,4-ethylenedioxythiophene) doped with poly(styrene sulfonate) (PEDOT:PSS). PEDOT is a p-type semiconducting polymer with mobile positively charged polarons that hop chain-to-chain.

Talin, Albert Alec↗

Anaerobic Digestion of Food Waste: Products and Their Uses

This brochure provides a brief summary of products associated with anaerobic digestion of food waste, namely biogas and digestate. The focus is primarily on digestate and its utilization options, which include land application, direct and indirect fuel, bio-oil, biochar, and syngas, as well as other uses.

BIOMASS FUELS↗