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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tunable structure and reinforcement of polyvinyl alcohol (PVA) hydrogels using fungal chitin particles

Polysaccharides, including chitin, are one of the most abundant biopolymers in nature and are increasingly recognized as a sustainable alternative to petroleum-derived plastics and synthetic fillers in polymer composites. Traditionally sourced from crustacean shells, chitin offers mechanical strength and biocompatibility with limitations also in processability and functionality. Fungal-derived chitin material represents a promising alternative, with advantages including scalable fermentation on low-cost substrates, absence of shellfish allergens, and tunable molecular architectures that vary by species, developmental stage, and growth environment. Here, in this study, we systematically examined chitinous materials obtained from taxonomically and functionally distinct fungi, Laccaria bicolor, Trichoderma reesei and Rhizopus oryzae, to assess their structural, chemical, and morphological properties as reinforcement agents in polymer composites. Mild alkaline pretreatment was employed to obtain mycelium chitin particles, thereby improving accessibility to chitin and co-occurring β-D-glucans while maintaining microparticle integrity. Comprehensive FTIR and solid-state NMR analyses revealed species-specific differences in chemical composition and microstructure, with R. oryzae exhibiting a unique spectral signature. These fungal-derived chitin were then incorporated into poly(vinyl alcohol) (PVA) hydrogels, where they acted as reinforcing fillers without the need for additional chemical crosslinkers. Comparative evaluation of hydrogel properties demonstrated that fungal chitin significantly enhanced mechanical performance, with all mycelium fillers mitigating the water weakening in PVA hydrogels. R. oryzae-derived composites tripled the hydrogel tensile strength while the submicron fibrous morphology in L. bicolor contributes to over 45 % tensile improvement in dry PVA composites. Our findings highlight the potential of fungal biomass as a tunable, sustainable platform for producing chitin-based reinforcing agents.

Chitin↗
DOE OSTI2026

Co-Location of Cellulosic Bioethanol and Alcohol-to-Jet (ATJ) Production Facilities for Targeted Scale-Up of Sustainable Aviation Fuel (SAF) Production

Achieving aerospace industry net-zero emissions by 2050 requires rapid scaling of sustainable aviation fuel (SAF) production. Leveraging existing infrastructure, proven technologies like Alcohol-to-Jet (ATJ), and low carbon intensity (CI) feedstocks (e.g., switchgrass and miscanthus) can support this transition and help achieve near-term emissions reduction targets. This study evaluates the implications of lignocellulosic ethanol biorefinery siting and integration with petroleum refineries to produce SAF across 1000 sites randomly sampled from areas suitable for perennial grasses in the U.S. rainfed region. To better understand the logistics of material transport and handoffs, we integrated models of biomass harvest, transport, ethanol, and ATJ production in a stochastic framework based on Monte Carlo simulations to characterize SAF minimum selling price (MSP) and carbon intensity (CI), considering site-specific parameters (e.g., feedstock production, transportation, taxes, incentives). The results indicate trade-offs between MSP and CI across locations, with median MSP ranging from 7.9 to 12.8 USD·gal −1 and CI from −9.7 to 39.4 gCO 2 e·MJ −1 . Despite high estimated decarbonization costs (580 USD·tonCO 2 e −1 ), our results indicate that site-specific deployment of ATJ with low-CI feedstocks can improve sustainability outcomes. The framework provides a systematic approach to assess cost and sustainability trade-offs across locations, considering the end-to-end supply chain and supporting an informed investment in SAF production.

09 BIOMASS FUELS↗
DOE OSTI2025

New Insights into Nonthermal Plasma-Assisted Poly(vinyl alcohol) Depolymerization Catalyzed by TiO 2

Here, in this study, we investigated the solid residual poly(vinyl alcohol) (PVA) and TiO 2 after nonthermal air, CO 2 , and N 2 plasma depolymerization in the absence and presence of TiO 2 . Scanning electron microscopy studies showed the absence of highly viscous tar and carbonaceous residues on the surfaces of PVA and TiO 2 . In the absence of TiO 2 , PVA particles exhibited micron-sized holes on their surfaces, whereas in the presence of TiO 2 , the surface roughness of PVA particles was observed at the submicron scale. These observations suggest that TiO 2 facilitates the even distribution of nonthermal plasma at a submicron scale, leading to a more uniform depolymerization of PVA surfaces. Raman, Fourier transform infrared spectroscopy, and X-ray absorption spectroscopy showed that (i) the surface of residual PVA contains mainly ketone functional groups and less C-H bonds than the pristine PVA and (ii) further confirmed the absence of highly viscous tar and carbonaceous residues on both used TiO 2 and residual PVA. The nuclear magnetic resonance and mass spectroscopy suggested that the PVA is growing back to poly polyvinyl acetate by the esterification reaction, and the ethers are produced by the acetal reaction between PVA and aldehyde. The transmission electron microscopy and X-ray diffraction analysis indicated no major crystal structural change of the TiO 2 catalyst after the plasma reactions. This study demonstrates that nonthermal plasma-assisted depolymerization is a viable alternative to thermal depolymerization, offering the unique advantage of converting polymer wastes into gaseous small organic molecules without generating recalcitrant viscous tar and carbonaceous residues on the surfaces of the polymer and TiO 2 catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Impact of Hydroxyl Functionalization and Unsaturation on Linear Poly(ethylene- co -vinyl alcohol)

Functionalization of C═C in unsaturated polyolefins by hydroboration/oxidation successfully generates linear poly(ethylene-co-vinyl alcohol) (LEVOH) polymers. This postpolymerization modification expands upon previously reported chemistry to control the extent of functionalization through reagent stoichiometry. Partial functionalization (24–92% of C═C) of polycyclooctene produces materials with both C═C in the backbone and pendant OH and subsequent hydrogenation generate a LEVOH. We explore the thermal, structural, surface, and adhesive properties of these LEVOH and the partially unsaturated intermediate and find they are impacted by both the extent of OH incorporation and saturation. The presence of C═C significantly reduces the melting temperature and crystallinity while increasing surface polarity and adhesive strength compared with saturated polymers at equivalent functionalization. Furthermore, this investigation demonstrates linear analogs of EVOH with a wide range of properties tuned by extent of hydroxylation and presence of unsaturation.

Crystal structure↗
DOE OSTI2025

Synthesis and Blending of Two Poly(ethylene- co -vinyl alcohol) Polymers with Mixed 1,2-Diol Stereochemistry

Parallel pathways for the postpolymerization modification of double bonds in a polycyclooctene (PCOE) backbone generate vicinal 1,2-diol-containing polymers with mixed but opposite stereochemistry, depending on the trans:cis ratio of the C═C in PCOE. Beginning from the same batch of PCOE, epoxidation and subsequent ring-opening with sulfuric acid and water produce a polymer with the majority erythro diols, whereas an osmium-catalyzed dihydroxylation results in diols in the majority threo orientations. These postpolymerization modification approaches enable access to previously unexplored polymers with a mixture of erythro and threo diols, offering tunable diol stereochemistry to tailor material properties. The majority erythro diols lead to hexagonal crystallites with higher melting temperatures and overall crystallinity when compared to the majority threo diols that form monoclinic crystallites. When blended, the two diastereomers phase separate as evidenced by distinct melting endotherms and crystal structures corresponding to the two component polymers, suggesting a route to tune the barrier or mechanical properties. Furthermore, this investigation synthesized polymers with mixed stereochemical diols and elucidated the thermal and morphological properties of regioregular linear poly(ethylene-co-vinyl alcohols) and their blends.

1,2-diols↗
DOE OSTI2026

Miscibility and Cocrystallization in Ethylene–Vinyl Alcohol Copolymer Blends

The compatibility among different ethylene−vinyl alcohol (EVOH) copolymer grades plays a crucial role in determining how easily they can be recycled when present together in a mixed waste stream. In this work, melt miscibility and cocrystallization in 50/50 wt/wt binary blends of EVOH copolymers with differing ethylene content were studied. Blends with up to a 21 mol % difference in composition were analyzed. Thin films of miscible blends appeared homogeneous in the melt as observed under an optical microscope, whereas AFM height images showed that immiscible blends underwent surface roughening due to phase separation. For copolymers with modest composition differences, the blend behaved as a single component, showing single, narrow melting and crystallization peaks in DSC thermograms, indicating cocrystallization at the level of crystal stems. Interestingly, even phase-separated blends demonstrated partial cocrystallization due to partial miscibility of the components in the molten phase-separated domains. The extent of cocrystallization is governed by the difference in freezing points of the components; rapid cooling increased cocrystallization in the blends. The maximum compositional difference allowed for miscibility is not constant but depends on the blend’s average comonomer content, in agreement with the “miscibility window” calculated from literature pressure−volume−temperature behavior for the individual EVOH copolymers and regular mixing theory. This study helps illuminate the effect of copolymer composition on miscibility, as well as cocrystallization behavior in blends of random copolymers with cocrystallizable units.

Cocrystallization↗
DOE OSTI2026

Carbamoylation as an Effective Tool in the Analysis of the Soman Nerve Agent Marker Pinacolyl Alcohol in Soil Matrices by EI-GC-MS and LC-HRMS

Pinacolyl alcohol (PA) is a Schedule 2 chemical commonly featured in most proficiency tests (PTs) administered by the Organisation for the Prohibition of Chemical Weapons (OPCW) due to its direct as well as forensic link to the nerve agent Soman. Therefore, its detection by Chemical Weapons Convention (CWC) inspection teams during on-site investigations is a strong indicator of the past or latent presence of Soman in the environment. Its small molecular weight (102), early elution time, and poor ionization profile make PA a challenging analyte to detect particularly at low concentrations (∼1–10 μg/g). In this work, 1,1′-carbonyldimidazole (CDI) has been used to effectively modify PA for the first time in two different soil matrices (Virginia type A soil and silt sediment) at two separate concentrations (1 and 10 μg/g) for its subsequent detection by EI-GC-MS and LC-HRMS methods. For the EI-GC-MS analysis, the PA carbamate derivative (PIC) exhibits improved chromatography relative to PA such as improved peak shape, increased molecular weight (196 for PIC and 102 for PA) and increased retention time (16.9 min for PIC and ∼4.1 min for PA). In addition, the derivatization also improves the detection of PA by LC-HRMS as the PIC product possesses protonation sites (i.e., imidazole ring) relative to none exhibited by PA. More importantly, the carbamoylation proceeds under mild conditions (55 °C, no base) and rapidly (3 h), characteristics that make it an appealing protocol for the analysis of PA during OPCW PTs or real case scenarios particularly in instances where it is present at low concentrations. It is anticipated that the protocol can be applied to the forensic analysis of this important Soman marker in various environmental matrices.

Chemistry↗
DOE OSTI2025

RB-TnSeq barcode abundance data sets for Novosphingobium aromaticivorans grown on the β-5-linked aromatic dimer dehydrodiconiferyl alcohol

ABSTRACT A randomly barcoded transposon insertion sequencing (RB-TnSeq) library of Novosphingobium aromaticivorans DSM12444 was grown in media containing either glucose or the β-5-linked aromatic dimer dehydrodiconiferyl alcohol (DC-A) as the sole carbon source. The cultures were grown to saturation and then sequenced, yielding the barcode abundance data sets presented here.

Metz, Fletcher↗
DOE OSTI2024

Transcriptomic data sets for Novosphingobium aromaticivorans grown with the β-5-linked aromatic dimer dehydrodiconiferyl alcohol and the related G-aromatic monomers vanillin and ferulic acid

ABSTRACT The transcriptomes of a 2-pyrone-4,6-dicarboxylic acid-producing strain of Novosphingobium aromaticivorans DSM12444 were determined when grown in minimal medium containing glucose alone or glucose plus vanillin, ferulic acid, or the β-5-linked aromatic dimer dehydrodiconiferyl alcohol as carbon sources. Here, we present the RNA-sequencing data we obtained.

Metz, Fletcher↗
DOE OSTI2025

MAGs from alcoholic fermentation in sugarcane biorefineries

Genome-resolved metagenomics was applied to recover microbial metagenome-assembled genomes (MAGs) from alcoholic fermentation samples collected at two sugarcane biorefineries in São Paulo state, Brazil, during the 2024 harvest season.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Elucidating Electric Field-Induced Rate Promotion of Brønsted Acid-Catalyzed Alcohol Dehydration

Applied potentials have been demonstrated as a powerful tool to promote heterogeneous Brønsted acid catalysis by orders of magnitude, leveraging interfacial electric fields to stabilize protonated intermediates. However, the use of flat two-dimensional electrodes with inherently low active site densities limits the application of conventional thermochemical characterization techniques that can probe the nature of catalytic active sites. Here, we use kinetic analyses with an electrostatics-based model to elucidate the intricacies of potential-induced rate promotion, employing liquid-phase dehydration of 1-methylcyclopentanol catalyzed by carboxylic acid groups on carbon nanotubes as a probe system. By using a basket electrode to directly polarize catalyst powder, we demonstrate that thermocatalytic reaction rates can be promoted by 100,000-fold, exhibiting a log–linear dependence on applied potential with rate-potential scalings as high as 125 ± 4 mV per 10-fold rate increase. In agreement with model predictions, we show that lower ionic strengths attenuate potential sensitivity, resulting from a weakening of the interfacial electric field that interacts with the acidic proton. Furthermore, we experimentally confirm the model-predicted “isokinetic potential” (at ∼0.6 V vs Ag/AgCl)─the potential at which all rate scaling lines at various ionic strengths intersect, making the rate independent of ionic strength. Base titrations reveal that only ∼8% of the carboxylic acid sites are catalytically active, yet these same active sites are operational at the highest and lowest potentials. Collectively, our results provide a key methodology for modeling catalytic effects of electric fields, quantifying active sites under applied potential, and demonstrating fundamental principles of electric field-induced rate promotion.

Catalysts↗