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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electrocatalytic hydrogenation of muconic acid

Various embodiments disclosed relate to electrocatalytic hydrogenation of muconic acid and polymers formed from the reaction products thereof. In various embodiments, the present invention provides an electrocatalytic method to prepare 3-hexene-1,6-dioic acid, 2-hexene-1,6-dioic acid, adipic acid, or a combination thereof, from muconic acid. The method includes passing current through a catalytic cathode in a reactor including an aqueous acidic solution including muconic acid, a supporting electrolyte, and an anode, so as to generate atomic hydrogen on the cathode surface in an amount effective to hydrogenate the muconic acid to yield a product including 3-hexene-1,6-dioic acid, 2-hexene-1,6-dioic acid, adipic acid, or a mixture thereof. Also disclosed is the polymerization of 3-hexene-1,6-dioic acid, 2-hexene-1,6-dioic acid, or a combination thereof with another compound, such as a diamine or a dialcohol, to form a polymer, such as a polyamide or a polyester.

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

Accelerating Materials Discovery: Artificial Intelligence for Sustainable, High-Performance Polymers

PolyID enables the discovery of polymers with advanced performance and greater sustainability while reducing material development timelines. The material design space is immense and cannot be reasonably probed using an Edisionian approach. High-throughput property prediction, enabled by artificial intelligence provides a hypothesis driven approach for down selection of candidate polymers to pursue experimentally. To aid experimentalists in the down selection of material targets this high-throughput, machine learning-based tool is capable of predicting polymer properties simply from molecular structures. Currently, transport, thermal, and mechanical properties across 7 polymer class (polyamides, polyesters, polycarbonates, polyimides, polyolefins, polyacrylates, and polyurethanes) can be predicted, and the PolyID platform has been flexibly designed so new materials and properties can be added.

artificial intelligence↗
DOE OSTI2022

Performance Advantaged ..beta..-Ketone Containing Polymers - Benefits in Manufacturing, Performance, and End-of-Life

Biomass derived chemicals can possess extended functionality, often in the form of heteroatoms like oxygen and nitrogen, that can enable performance advantaged properties in emergent materials. These performance advantages can manifest in multiple ways such as reduced manufacturing intensity, better performance, or enhanced end-of-life options. One illustrative example of this concept is ..beta..-ketoadipic acid (..beta..KA), a C6 dicarboxylic acid with a ketone in its backbone. ..beta..KA can be obtained via biological cultivation from aromatic compounds, sugars, and even waste plastics. When ..beta..KA is implemented into polymers, namely nylons, in place of adipic acid the overall material properties are increased. Specifically, the glass transition temperature (which is the measurement at which temperature a plastic softens) is increased by 69 degrees C and the water permeability is reduced by 20%. Molecular dynamic (MD) simulations reveal that the ..beta..-ketone in ..beta..KA leads to restricted movement across multiple backbone carbons when compared to adipic acid. Furthermore, MD simulations reveal that the ..beta..-ketone, when compared to no-ketone or an a-ketone, can lead to an increase in hydrogen bonding between neighboring chains. Both phenomena may help explain the molecular origin of the increases in polymer performance. When implemented into polyesters, namely PET, ..beta..KA can maintain the requisite performance while enabling enhanced degradation. Aside from performance advantages in thermomechanical performance, the production of ..beta..KA also is advantaged in its manufacturing. Although estimates for the minimum selling price (MSP) of ..beta..KA exceed adipic acid the manufacture of ..beta..KAwould reduce supply chain energy and GHG emissions by >50% and >30% respectively. Further TEA analysis reveals that the MSP of ..beta..KA is primarily driven by the feedstock cost while the capital expenditures are driven largely by fermentation costs. Overall, the work presented within will be illustrative of how biomass derived molecules, namely ..beta..KA, can manifest performance advantages across multiple benchmarks and may enable a path to market for biomass-derived materials.

ADVANCED PROPULSION SYSTEMS,BIOMASS FUELS↗
DOE OSTI2023

2.3.4.501 - Synthesis and Analysis of Performance-Advantaged Bioproducts

This project focuses on the synthesis and analysis of performance-advantaged bioproducts (PABPs). We have established collaborations with other BETO-funded projects and academic and industrial collaborators to source new molecules that have promising manufacturing pathways and that could be serve as performance-advantaged biochemicals or biopolymers. We conduct synthesis and characterization of biochemicals and biopolymers alongside techno-economic analysis and life cycle assessment to estimate their cost and environmental impacts relative to incumbent materials. As part of the project, Profs. Linda Broadbelt and Brent Shanks are developing computational pathway prediction tools to identify optimal production pathways for bio-based compounds via biological and chemo-catalytic transformations. When coupled to the polyID tool from the Inverse Design project, these tools will ultimately enable a narrowing of design space for PABPs. From FY21-FY23, we described a framework for benchmarking PAPBs, estimated the energy and GHG emissions for commodity organic chemicals, developed performance-advantaged nylons and polyesters from beta-ketoadipic acid, and produced lignin-based plasticizers. We have shown that aromatic amines can be used in performance thermosets and that polyhydroxyalkanoates with crosslinked side chains can exhibit rubber-like properties, along with repair and degradability. We are working actively with industry partners on scale-up and validation of multiple PABPs.

BIOMASS FUELS↗
DOE OSTI2023

ABF DFO with Technology Holding, Inc.

This Agile BioFoundry Directed Funding Opportunity project with Technology Holding and partners focuses on the development of both a strain of Pseudomonas putida KT2440 and a corresponding bioprocess to convert cellulosic sugars to beta-ketoadipic acid, which can be used in performance nylons and polyesters. Our approach follows the Design-Build-Test-Learn cycle wherein we have transferred learnings from muconic acid production in P. putida to develop a glucose and xylose-utilizing beta-ketoadipic acid production strain. This strain achieves 65 g/L of beta-ketoadipic acid at 0.7 g/L/hr and a C-mol yield of 0.40. We are currently on-boarding arabinose utilization as well. To identify non-intuitive strain modifications as well, we are deploying a beta-ketoadipic acid biosensor and building randomly barcoded transposon insertion sequencing (RB-TnSeq) libraries and gene over-expression libraries in beta-ketoadipic acid production strains. Moreover, we are using global metabolomics and other systems biology tools to identify off-target pathways. Lastly, we are scaling up beta-ketoadipic acid production to kg-scale production for Technology Holding to evaluate in performance polymers with their partners.

beta-ketoadipic acid↗
DOE OSTI2023

Comparing Polymer Recycling Technologies for a Circular Plastic Economy

This presentation summarizes the research article "Technical, Economic, and Environmental Comparison of Closed-Loop Recycling Technologies for Common Plastics" by Uekert et al. (ACS Sustainable Chem. Eng., 2023) for a carpet industry audience. It covers the technical performance, environmental impacts, and costs of existing and emerging plastic recycling technologies, with a focus on those that are applicable to carpet materials such as polypropylene and polyester.

carpet↗
DOE OSTI2023

Developing a Roadmap for Bio-Derivable and Recyclable Composites: Re-Design and Scale-Up Considerations

Composites, often in the form of fiber reinforced plastics, are used in multiple facets of modern life from snowboards to vehicles, to wind turbines and beyond. Despite their prolific, and often renewable energy related uses, they are currently subject to a linear material economy from emission intensive precursors; thus, there is an opportunity to re-design these materials to be both bio-derivable and recyclable. In the present work, we provide a roadmap of what application considerations must be considered for vacuum assisted resin transfer molding (VARTM) processes for large composites materials at scale (e.g. infusible viscosities, moderate cure times, proper fiber adhesion, low cost, and maximum peak exotherm) when implementing bio-derivable and recyclable materials. We also provide illustrative concepts utilizing polyester covalently adaptable networks, from epoxy-anhydride chemistry, to achieve these goals. We further provide considerations when developing recycling process (e.g. maintenance of fiber sizing and orientation) and demonstrate these practices using low temperature methanolysis. Accompanying technoeconomic and life cycle analysis further illustrate the decarbonization benefits to bio-derivable and recyclable thermosets while informing future research and recycling processes. Finally, we provide a brief introduction to synergistic work within our team exploring how to further decarbonize the manufacturing of these materials.

BIOMASS FUELS,ENERGY CONSERVATION, CONSUMPTION, AN↗
DOE OSTI2024

Streamlined Loads Analysis of Floating Wind Turbines With Fiber Rope Mooring Lines: Preprint

This paper presents an approach for more accurate yet relatively streamlined accounting for the nonlinear characteristics of synthetic fiber rope mooring lines for floating wind turbines. First, we select a minimal set of parameters that can efficiently approximate a mooring line material's quasi-static and dynamic stiffness characteristics. We also develop a set of baseline coefficients for different rope materials based on published product information and research papers. We then expand a quasi-static mooring model to include dynamic mooring line stiffness terms in a way that allows the nonlinear stiffness behavior of fiber ropes to be considered even in quasi-static analyses. For dynamic analysis, we have updated the model MoorDyn, coupled with OpenFAST, to work with the new dynamic mooring line stiffness terms. This includes the implementation of a new viscoelastic approach that allows the tension-strain relation of each mooring line segment to vary between two stiffness values depending on the strain rate. After presenting the formulation of the approaches for modeling synthetic ropes, they are demonstrated on a floating wind turbine mooring system with taut polyester rope mooring lines. The results are compared with those of other approaches of similar fidelity including the static-dynamic method and separate simulations with static and dynamic stiffness values. Comparing the results shows the ability of the new method to match the results of the previous methods in a more streamlined manner.

elasticity↗
DOE OSTI2024

Converting Poly(ethylene terephthalate) to Rigid Thermosets: Performance and Recycling Considerations

Poly(ethylene terephthalate) (PET) is one of today's most ubiquitous plastics finding predominant uses in textiles and food applications. Due to its prolific implementation, PET already possesses a robust mechanical recycling infrastructure; however, current requirements for mechanical recycling still leads to an underutilization of PET. Thus, to keep carbon in the economy and further encourage decarbonization efforts it is paramount to find other applications for PET. In the present work, PET is converted to thermoset applications, specifically those relevant to fiber reinforced plastics. In one case, bioderived monomers are utilized to convert glycolyzed PET into unsaturated polyesters resins which can possess better thermomechanical performance than their petrochemical counterpart while also emitting less GHG emissions in their manufacture. In the second case, the constituent monomers from PET are converted into epoxies and reacted with either amines or anhydrides to form thermoset networks. When anhydrides are implemented alongside carboxylate-based epoxies, 100% monomer recyclability is obtainable. Meanwhile, when amines are used, performance of the materials can be enhanced at the sacrifice of some recyclability. Overall, this work demonstrates the potential to further incentivize the reclamation of materials through multiple second life applications in pursuance of maintaining carbon in today's material economy.

BIOMASS FUELS,ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Synthesis and characterization of biobased copolyesters based on pentanediol: (1) Poly(pentylene dodecanoate–co–furandicarboxylate)

A series of biobased aliphatic-aromatic copolyesters, poly(pentylene dodecanoate-co-furandicarboxylates) (PPeDFs) were synthesized via an esterification and polycondensation melt process. The copolyesters were characterized using gel permeation chromatography, Fourier transform infrared spectroscopy, 1 H NMR spectroscopy, differential scanning calorimetry, thermogravimetric analysis, wide angle x-ray scattering, and tensile testing. The thermal transition behavior was strongly dependent on composition, with the melting and glass transition temperatures reaching a minimum at approximately equimolar ratio of D to F. All copolyesters were stable below 300°C with their R 600 (the weight of material remaining at 600°C) values increasing with F fraction. PPeD to PPeDF30 (e.g., mole ratio D/F = 7:3) show sharp PPeD crystalline reflections only while broad PPeF reflections are shown in PPeF and PPeDF90. PPeDF40 to PPeDF80 showed both crystal structures. The fractional crystallinity for the PPeD was much higher than PPeF and the fractional crystallinity of the copolymers showed a minimum at D/F ratios closer to the latter. Here, the stress at break and modulus both exhibited maxima at D/F ratios that were either high or low, but somewhat surprisingly a strong maximum in percent elongation at break of over 600% occurs at PPeDF40. For this composition, a typical plastic behavior curve was found including a yield point, high elongation at break, and strain hardening.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

End-Of-Life Textiles as Reinforcements in Biocomposites

A number of attempts have been made to recycle cotton/polyester blend woven fabrics after use; however, most of these fabrics are disposed of in landfills. Major part of these blend fabrics are not recycled due to complexity of the fibre arrangement and cannot be separated economically. This study shows that these discarded woven fabrics could be directly used as reinforcements in composites without fibre separation. Uniform alignment in the woven fabric provided consistent properties to the composites. The fabrics were reinforced by soybean-based-bioresins to produce biocomposites. The composites were analysed for mechanical, thermal, viscoelastic and morphological properties. Porosity and wettability of the composites were also evaluated. Results demonstrate that the tensile strength and modulus of over 100 and 10 MPa, respectively, can be obtained without any fibre treatment. Furthermore, impact strength over 70 kJ/m{sup 2} was obtained without any chemical treatment on fibres. The porosity of the composites produced was less than 9 vol%. Additionally, the fabrics were treated with alkali in order to improve the fibre–matrix interface and the composite properties were studied. From the economical perspective, these composites can be produced at a low cost as the major component is available for free or low cost.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Aerobic Biodegradation of Aromatic Aliphatic Copolyester Induced by Bacteria Obtained from Different Environments

In this study the biodegradation characteristics of aromatic aliphatic copolyester Ecoflex was assayed with five different bacterial strains isolated from different kinds of environments and living at diverse optimum of temperature. The biodegradation properties of selected strains (Brevibacterium luteolum, Bacillus thuringiensis, Aeromonas media, Geobacillus kaustophilus and Serratia sp.) were assessed through several plate assays oriented to their proteolytic, lipolytic, esterolytic and cellulolytic abilities; catalase activities were measured too. In addition the bacterial hydrolytic abilities for polyhydroxybutyrate, polylactic acid and polybutyrate adipate terephthalate were obtained using specific culture media including also a specific Ecoflex agar. The biodegradation dynamics of selected strains were evaluated mainly by the incubation of Ecoflex foils with a specific bacterium during a period from 3 days until 16 weeks and the change of the degradability of the Ecoflex surface in nitrogen has been assessed by nonisothermal chemiluminescence measurements from 40 to 250 °C. Scanning electron microscope observation of inoculated foils was applied too. The comparison of the results showed the complexity of biodegradation phenomena. The concentration of oxygenated products measured by reached the maximum after 2 weeks of cultivation for strains G. kaustophilus and B. thurigiensis, after 4 weeks of cultivation for strain B. luteolum, and 8 weeks of cultivation for strains Serratia sp. and A. media. Each strain evidenced its own hydrolytic optimum at different periods, but almost all tested strains demonstrated a decline of hydrolysis up to 16 weeks of incubation. This study demonstrated that nonisothermal chemiluminescence examining momentaneous oxidation state of the polymer surface is a valuable technique to follow the biodegradation dynamics on polymeric film, while the Ecoflex agar is able to select useful polymer-degrading bacteria.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Dissimilar Tendencies of Innovative Green Clay Organo-Modifier on the Final Properties of Poly(ε-caprolactone) Based Nanocomposites

Composites based on poly(ε-caprolactone) (PCL) were prepared by melt blending the polymer with natural and modified bentonite. Soy lecithin (SL), a natural and nontoxic biosurfactant, was used as modifier agent. Three organoclays with different SL contents were employed as fillers and composites containing 1 and 2 wt% of each clay, were prepared. Thermal (by thermogravimetric analysis, and differential scanning calorimetry), morphological (by X-ray diffraction (XRD) and melt rheology), mechanical (by tensile tests) and barrier properties (by means of water vapor permeability tests) of matrix and composites were studied as a function of clay type and content. Morphological analysis by XRD showed nanocomposites with intercalated-exfoliated structures while melt rheology suggests thermal degradation of PCL matrix catalyzed by SL bentonite modifier. Thermal and mechanical properties were consistent with this assumption, due to the slight increment in crystallinity percentage and detriment in the Young’s modulus of the nanocomposites in comparison with the neat matrix. On the other hand, water vapor permeability of PCL significantly decreased in composites, as is expected for polymer/clay nanocomposites, favoring its potential application as food packaging. Thus, dissimilar tendencies were found in the final properties of the nanocomposites that were attributed to the matrix molecular weight degradation catalyzed by the novel green clay organo-modifier.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Ageing and Its Influence on Vibration Characteristics of Jute/Polyester Composites

In this work, the influence of ageing on vibration characteristics of jute/polyester composite was investigated by varying the fiber length and weight percent. The ageing of composite was carried out under normal and seawater in room temperature. From the result, it is observed that the composite with the fiber length of 5 mm and 25-weight percentage has least moisture absorption and permeability than other types in both normal and seawater due to better fiber-matrix adhesion and closed pack arrangement of fibers. In addition, the above said combination shows better stability and vibration properties are least effected. Further, due to aging, the bonding between fiber and matrix is significantly affected to a larger degree with increase in the fiber content and length, which in turn decreases the natural frequency and damping properties of the composites.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Abiotic Hydrolysis and Compostability of Blends Based on Cassava Starch and Biodegradable Polymers

When associated with polymer blends, starch may improve the biodegradability and compostability of other materials. The objectives of this work were to evaluate the abiotic hydrolysis and the composting process of films obtained from polymer blends between thermoplastic starch (TPS) and three other biodegradable polymers: poly[(butylene adipate)- co -(terephthalate)] (PBAT), poly(lactic acid) (PLA) and polyvinyl alcohol (PVA). PVA/TPS stood out as the most homogeneous blend and the one that showed the highest weight loss, with 46.21% of its initial weight remaining after abiotic hydrolysis tests. On the other hand, PBAT/TPS and PLA/TPS underwent more drastic and rapid degradation during composting in contrast to PVA/TPS. They became very fragmented after 21 days of composting, while the PVA/TPS was visually modified but remained unbroken until day 70. No blend sample exerted negative effects on the quality of the compost.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Electrical Transport Properties of Carbon Nanotube/Polyester Polymer Composites

The electrical properties of polyester/carbon nanotube composites have been investigated within the frequency range of 10{sup 2} and 10{sup 6} Hz and temperature from 200 to 360 K. This paper reports the electrical conductivity behavior as a function of filler content, frequency, and temperature. The electrical conductivity of the composites obeys the universal Jonschers’ power law and leads to the parameter ss with values as 0.12< s < 0.93. The impedance data is found to fit well with Mott conditions of variable range hopping conduction. The values of Mott’s temperature, density of states at the Fermi energy, range of hopping, and hopping energy are also presented in this work.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

The role of binding modules in enzymatic poly(ethylene terephthalate) hydrolysis at high-solids loadings

In nature, enzymes that deconstruct biological polymers, such as cellulose and chitin, often exhibit multi-domain architectures, comprising a catalytic domain and a non-catalytic binding module; the latter serves to increase the enzyme concentration at the substrate surface. This multi-domain architecture has been shown to improve the hydrolysis of poly(ethylene terephthalate) (PET) using engineered cutinase enzymes. Here, we examine the role of accessory binding modules at industrially relevant PET solids loadings necessary for cost-effective enzymatic recycling. Using a thermostable variant of leaf compost cutinase (LCC), we produced synthetic fusion constructs of LCC with five type A carbohydrate-binding modules (CBMs). At solids loadings below 10 wt%, the CBMs improve aromatic monomer yield from PET, but above this threshold, conversion extents up to 97% are reached with no added benefits from the presence of CBM fusions. This suggests that fusion constructs with the herein studied CBMs are not necessary for industrial enzymatic PET recycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗