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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Shape Persistent, Highly Conductive Ionogels from Ionic Liquids Reinforced with Cellulose Nanocrystal Network

Abstract Shape‐persistent, conductive ionogels where both mechanical strength and ionic conductivity are enhanced are developed using multiphase materials composed of cellulose nanocrystals and hyperbranched polymeric ionic liquids (PILs) as a mechanically strong supporting network matrix for ionic liquids with an interrupted ion‐conducting pathway. The integration of needlelike nanocrystals and PIL promotes the formation of multiple hydrogen bonding and electrostatic ionic interaction capacitance, resulting in the formation of interconnected networks capable of confining a high amount of ionic liquid (≈95 wt%) without losing its self‐sustained shape. The resulting nanoporous and robust ionogels possess outstanding mechanical strength with a high compressive elastic modulus (≈5.6 MPa), comparable to that of tough, rubbery materials. Surprisingly, these rigid materials preserve the high ionic conductivity of original ionic liquids (≈7.8 mS cm −1 ), which are distributed within and supported by the nanocrystal network‐like rigid frame. On the one hand, such stable materials possess superior ionic conductivities in comparison to traditional solid electrolytes; on the other hand, the high compression resistance and shape‐persistence allow for easy handling in comparison to traditional fluidic electrolytes. The synergistic enhancement in ion transport and solid‐like mechanical properties afforded by these ionogel materials make them intriguing candidates for sustainable electrodeless energy storage and harvesting matrices.

Lee, Hansol↗
DOE OSTI2024

Additive Manufacturing with Cellulose-Based Composites: Materials, Modeling, and Applications

Recent advances in large-scale additive manufacturing (AM) with polymer-based composites have enabled efficient production of high-performance materials. Cellulose nanomaterials (CNMs) have emerged as bio-based feedstocks due to their exceptional strength and sustainability. However, challenges such as hornification and poor dispersion in polymer matrices still limit large-scale CNM–polymer composite manufacturing, requiring novel strategies. Here, this review outlines an approach starting with atomic-level simulations to link molecular composition to key parameters like bulk density, viscosity, and modulus. These simulations provide data for finite element analysis (FEA), which informs large-scale experiments and reduces the need for extensive trials. The strategy explores how atomic interactions impact the morphology, adhesion, and mechanical properties of CNM-based composites in AM processes. The review also discusses current developments in AM, along with predictions of mechanical and thermal properties for structural applications, packaging, flexible electronics, and hydrogel scaffolds. By integrating experimental findings with molecular dynamics (MD) simulations and finite element modeling (FEM), valuable insights for material design, process optimization, and performance enhancement in CNM-based AM are provided to address ongoing challenges.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Designing Cost‐Effective Carbon Payments to Induce Cellulosic Feedstock Production for Sustainable Aviation Fuel

Perennial bioenergy crops, such as miscanthus and switchgrass, and crop residues have the potential to scale up sustainable aviation fuel (SAF) production and mitigate carbon emissions. However, high establishment costs, delayed returns, and risk–return profiles that diverge from those of conventional crops can hinder incentives to adopt bioenergy crops. We develop an economic model that incorporates spatially varying joint yield and price distributions for the multiple crop choices a farmer faces and apply it to examine the incentives for risk-averse, present-biased, and credit-constrained farmers to produce cellulosic feedstocks under various biomass prices. We link this model to a biogeochemical model to quantify the spatially varying carbon mitigation benefits from these feedstocks in the rainfed region of the United States. We also analyze the cost-effectiveness of two carbon payment policies: annual and upfront. We find that risk-averse, present-biased, or credit-constrained farmers prefer to grow the lower-yielding but less risky switchgrass and harvest corn stover instead of the lower carbon, higher-yielding but riskier feedstock miscanthus, resulting in lower SAF production. Upfront carbon payments incentivize higher quantities of less carbon-intensive SAF production by risk-averse, credit-constrained, and present-biased farmers because they offset a part of the establishment costs of miscanthus. We also find that when farmers are credit-constrained, upfront payments are more cost-effective in terms of carbon mitigation per dollar spent. In contrast, annual payments are more cost-effective when farmers can access credit.

09 BIOMASS FUELS↗
DOE OSTI2023

pH‐ and Redox‐Responsive Pickering Emulsions Based on Cellulose Nanocrystal Surfactants

Abstract Nanoparticle surfactants (NPSs), formed by using dynamic interactions between nanoparticles and complementary ligands at the liquid‐liquid interface, have emerged as “smart emulsifiers” with attributes of high emulsification efficiency, long‐term stability, and on‐demand emulsification/demulsification capabilities. However, only pH‐responsiveness can be adopted for the assembly of reported NPSs formed by electrostatic interactions. Here, we propose an alternative design strategy, by taking advantage of the ferrocenium (Fc + ) sulfate ion pair, to develop a new type of cellulose nanocrystal (CNC) surfactant. The Fc + groups are sensitive to pH, redox reagents and voltage, imparting the CNC surfactants and derived Pickering emulsions with multi‐stimuli‐responsiveness, and showing promising applications in controllable delivery, release, and biphasic biocatalysis.

Yang, Yang↗
DOE OSTI2023

pH- and Redox-Responsive Pickering Emulsions Based on Cellulose Nanocrystal Surfactants

Nanoparticle surfactants (NPSs), formed by using dynamic interactions between nanoparticles and complementary ligands at the liquid-liquid interface, have emerged as “smart emulsifiers” with attributes of high emulsification efficiency, long-term stability, and on-demand emulsification/demulsification capabilities. However, only pH-responsiveness can be adopted for the assembly of reported NPSs formed by electrostatic interactions. Here, we propose an alternative design strategy, by taking advantage of the ferrocenium (Fc + ) sulfate ion pair, to develop a new type of cellulose nanocrystal (CNC) surfactant. In conclusion, the Fc + groups are sensitive to pH, redox reagents and voltage, imparting the CNC surfactants and derived Pickering emulsions with multi-stimuli-responsiveness, and showing promising applications in controllable delivery, release, and biphasic biocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Preparation of pH ‐responsive cellulose nanofibril/sodium alginate based hydrogels for drug release

Abstract In this work, hydrogels composed of cellulose nanofibril (CNF) and sodium alginate (SA) were prepared as a pH‐responsive release system by controlling the amount of CNF and SA. Scanning electron microscopy, thermogravimetric analysis, and swelling rate methods were used to characterize. The results showed that when the mass ratio of CNF to SA was 2:1, CNF/SA hydrogels with better morphology were obtained. Due to the deprotonation or protonation of calcium alginate, as the pH changing from 1.5 to 11.0, the swelling ratio increased from 7 times to 19 times compared with its dry weight. The drug release behaviors of the CNF/SA hydrogels using ibuprofen (IBU) as a model drug were investigated in vitro. The release of IBU was faster in alkaline conditions and slower in acidic conditions. The drug release mechanism under pH stimulation could be interpreted by the Fickian diffusion and erosion effect based on Korsmeyer‐Peppas model.

Li, Yuhang↗
DOE OSTI2020

Highly efficient separation membrane based on cellulose acetate/chitosan fibrous composite substrate with activated carbon functional adsorption layer

Abstract BACKGROUND For improving the permeability and selectivity of adsorption separation membranes, membrane materials, structural morphology and separation technology must continue to be investigated. Development of a membrane that is environmentally friendly, cost‐effective and with high filter precision is an important direction in current research. RESULTS The air pressure spraying method was used to prepare an activated carbon (AC)–cellulose acetate/chitosan (CA/CS) composite membrane. The CA/CS fiber composite membrane was prepared as substrate layer, and AC was loaded on the surface of the CA/CS composite membrane as a functional adsorption layer. When the spraying pressure was 0.01 MPa and the mass ratio of AC/CS was 2:1, a composite membrane with even and compact morphology could be obtained. Both the compact AC functional layer and complete CA/CS substrate layer endowed the AC–CA/CS composite membrane with an excellent water filtration property. At low feeding pressure, the permeate flux and rejection rate of bisphenol A (BPA) could reach 9.27 × 10 3 L m −2 h −1 and 98.31%, respectively. Meanwhile, the adsorption capacities of the membrane were investigated. It tended to equilibrate quickly in 2 min for dyes and BPA. The equilibrium adsorption capacities of the membrane for acid blue, acid yellow and BPA were 175.80, 164.0815 and 79.58 mg g −1 , respectively. The adsorption process conformed to pseudo‐second‐order kinetics and the Langmuir monolayer adsorption model. CONCLUSIONS This work could provide a practical and effective feasibility for membrane separation technology. © 2020 Society of Chemical Industry (SCI)

Zhao, Xiaoyan↗
DOE OSTI2025

Hempseed cell wall polysaccharides are dominated by linear xylans and cellulose: Comprehensive structural profiling of ten cultivars of industrial hemp, Cannabis sativa L .

Hempseed is a rich source of dietary fiber; however, there has been limited research on the variability of carbohydrate composition in hempseed cell walls. The primary aim of this study was to conduct a comprehensive chemical and structural analysis of the cell wall polysaccharides in ten hempseed cultivars. Water-soluble polysaccharides (WSP) and water-insoluble residues (WIR) were isolated and subsequently analyzed for their monosaccharide composition using HPAEC-PAD, glycosyl linkage analysis using GC–MS, and structural characterization via NMR spectroscopy. All hempseed cultivars contained a high proportion of insoluble fibers and smaller amounts of soluble polysaccharides. Glucose and xylose were the most abundant components of the WIR fractions, while the WSP fractions contained abundant amounts of galactose, galacturonic acid, arabinose, rhamnose, and mannose. The results of linkage and spectroscopic analysis were consistent with the compositional analysis, identifying cellulose and acetylated linear xylans as primary components of WIR, and arabinogalactans, rhamnogalacturonans, heteromannans, xyloglucans, and arabinan as predominant in WSP. Altogether, the study revealed a comparable cell wall structure among the analyzed hemp seed varieties. The high fiber content of whole hempseed-based ingredients presents significant potential for food manufacturers seeking to develop products with enhanced dietary fiber content, offering both functional and nutritional benefits for consumers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Towards the scale-up production of cellulose nanocomposites using melt processing: A critical review on structure-processing-property relationships

Cellulose nanomaterials (CNMs) naturally exist in plant biomass. The success of extraction of CNMs opened up a new era of using plant biomass for innovative industrial applications. Because CNMs are abundant, renewable, biodegradable, transparent, light weight and low in cost, they are ideal materials for large volume applications such as packaging, automotive, building and infrastructure. In many potential application areas, CNM-enable products appear in a composite form, mostly polymer composites. Additionally, the industrial-scale manufacturing of CNM/thermoplastic composites remains as a set of unsolved problems for academia and industry. A prime challenge in applications is the nanoscale dispersion of CNMs in thermoplastic matrices during melt processing. Both bench-scale and pilot-scale studies have been conducted to solve the dispersion issue of CNMs. In this article, research related to the dispersion of CNMs in thermoplastic matrices during melt processing were critically reviewed. All research papers were classified into three groups: chemically-aided dispersion, physically-aided dispersion and mechanically-aided dispersion. Numerous factors affect the CNM dispersion and the mechanical performance of its nanocomposites. There are material-related factors, including CNM types and forms, polymer matrices, surface modification, coupling agents, etc. Furthermore, extrusion processing parameters also play a significant role, covering screw rotation speed, extrusion barrel temperature settings and screw design. In addition, the material-related factors interact with the processing-related factors. Understanding all factors and their interactions are important for moving CNM nanocomposites research a step further towards industrial-relevant production, which is the final ambitious goal of this manuscript.

42 ENGINEERING↗
DOE OSTI2024

Investigation of the alkaline hydrogen peroxide pretreatment: From cellulose saccharification to lignin isolation

Alkaline hydrogen peroxide (AHP) pretreatment, a green and effective technology for biomass fractionation, was studied to overcome the recalcitrance of bamboo for lignin isolation and facilitating enzymatic saccharification. In order to explore the impact of AHP pretreatment on the cellulose saccharification of bamboo, the glucan/xylan recovery, lignin removal, and structural properties of solid substrate were investigated in this research. AHP pretreatment at 90 °C for 60 min with 3.0 % H 2 O 2 resulted in the maximum glucan/xylan hydrolysis yield reaching 90.62 % and 88.30 %, respectively. Specially, for the first time, the recovered lignin from the AHP liquid possesses up to 59.84/100Ar of β-O-4 linkages, abundant ferulic acid (FA), and p-coumarate (pCE) structures, as well as a homogeneous molecular structure with high purity (84.04%-96.20%) and preferable antioxidant activities (IC50: 0.015–0.018 mg/mL). Finally, these results provided theoretical support for the comprehensive valorization of lignocellulose, which is favorable for achieving viable biorefineries.

09 BIOMASS FUELS↗
DOE OSTI2021

Heterogeneous Diels–Alder tandem catalysis for converting cellulose and polyethylene into BTX

Producing biomass-derived aromatic hydrocarbons via controllable Diels–Alder reactions is a promising approach to recover energy and chemicals from waste streams. A tandem Diels–Alder catalysis consisting of SAPO-34 and Fe/HZSM-5 (stacked catalysis or mixed catalysis) was evaluated for thermochemical conversion of cellulose and polyethylene blends into benzene, toluene, and xylenes (BTX). Aromatization catalyst type significantly affected the activity of tandem catalysis, and the BTX obtained from the HZSM-5 stacked catalysis was ~2.3 times higher than that of the USY stacked one. An introduction of Fe active promoters into HZSM-5 increased the Lewis to Brønsted acid sites molar ratio (L/B) from 0.4 to 4.1. The comparison between Fe/HZSM-5 stacked catalysis and parent HZSM-5 single catalysis indicated that the former was more effective for BTX production, obtaining a nearly two-fold increase in yield with a high selectivity of 82.8%. A close proximity between Fe/HZSM-5 and SAPO-34 in the mixed catalysis increased the BTX enhancement to 1.8. A synergistic effect was provided by the coordination of Lewis and Brønsted acid sites in the Fe/HZSM-5 mixed catalysts for facilitating BTX generation, achieving a maximum of 25.9% at a Fe/HZSM-5 to SAPO-34 mass ratio of 1:1 with a theoretical L/B of 7.2. Finally, this work provides a sustainable strategy to produce biomass-derived aromatic hydrocarbons.

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

Multifunctional polymer composite coatings and adhesives by incorporating cellulose nanomaterials

Regardless of their applications, polymers are still considered mechanically weak and functionally insufficient for certain demanding coating and adhesive uses. To address those issues, nanomaterials have been extensively studied as reinforcing fillers, which have been proven to effectively promote the performance of polymer coatings/adhesives. However, conventional nanofillers are expensive and non-biodegradable. Meanwhile, cellulose nanomaterials (CNMs), a class of nanomaterials produced from biomass feedstocks, can circumvent the drawbacks of conventional nanofillers. Here, this review paper first focuses on the multi-functionalities CNMs bring to polymer coatings, including mechanical reinforcement (wear resistance and hardness enhancement), gas barrier, flame resistance, corrosion resistance, self-healing (controlled-release), optical regulation, self-cleaning/antifouling, and antimicrobial characteristics. Then we discuss the benefits of CNM addition to polymer adhesives, such as mechanical enhancement, curing promotion, volatile organic compound (VOC) suppression, and electrical conductivity. Finally, we provide insights into future research efforts with CNMs. The goal of this paper is to promote the pilot-scale study and commercial use of CNMs as multifunctional additives in green and sustainable polymer composite coating and adhesive formulations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Realistic application of short-lived fission product delayed neutron, gamma-ray analysis for simultaneous nondestructive trace quantification of U, Pu mixtures on cellulose swipes

Detection and characterization of fissile traces are of interest to the international nuclear nonproliferation community, including the International Atomic Energy Agency. Pre-inspection check samples are analyzed by neutron activation analysis at the High Flux Isotope Reactor operated by the Oak Ridge National Laboratory under the umbrella of the IAEA Network of Analytical Laboratories. The simultaneous quantification of U and Pu mixtures was accomplished using the combined delayed neutron (DN) delayed gamma-ray (DG) method to analyze cellulose swipes with actinide loading <1ng in a blind field trial. The total fissile quantity was measured by the DN counts and the relative proportions of U, Pu were determined by calibration of the 104 Tc / 141 Ba fission product count ratio using known mixtures. The DNDG method demonstrated high accuracy in flagging the presence of 239 Pu in uranium down to <100 pg mass loading. In conclusion, peak significance tests helped to control false positive Pu flagging and simultaneous quantification of U and Pu loading was accomplished on samples that passed the significance tests.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Compression behavior of microcrystalline cellulose spheres: Single particle compression and confined bulk compression across regimes

Particle characteristics can drastically influence the process-structure-property-performance aspects of granular materials in compression. In this study, we aim to computationally simulate the mechanical processes of stress redistribution in compacts including the kinematics of particle rearrangement during densification and particle deformation leading to fragmentation. Confined compression experiments are conducted with three sets of commercial microcrystalline cellulose particles nearly spherical in shape with different mean particle size. Experimentally measured compression curves from tall powder columns are fitted with the Kenkre et al. (J. of American Chemical Society, Vol. 79, No. 12) model. This model provides a basis to derive several common two-parameter literature models and as a framework to incorporate statistical representations of critical particle behaviors. We focus on the low-stress compression data and the model comparisons typically not discussed in the literature. Furthermore, additional single particle compressions report fracture strength with particle size for comparison to the apparent particle strength extracted from bulk compression data.

42 ENGINEERING↗
DOE OSTI2021

Review on Nonconventional Fibrillation Methods of Producing Cellulose Nanofibrils and Their Applications

The production of cellulose nanofibrils (CNFs) continues to receive considerable attention because of their desirable material characteristics for a variety of consumer applications. There are, however, challenges that remain in transitioning CNFs from research to widespread adoption in the industrial sectors, including production cost and material performance. Here, we cover CNFs produced from nonconventional fibrillation methods as a potential alternative solution. Pretreating biomass by biological, chemical, mechanical, or physical means can render plant feedstocks more facile for processing and thus lower energy requirements to produce CNFs. CNFs from nonconventional fibrillation methods have been investigated for various applications, including films, composites, aerogels, and Pickering emulsifiers. Continued research is needed to develop protocols to standardize the characterization (e.g., degree of fibrillation) of the lignocellulosic fibrillation processes and resulting CNF products to make them more attractive to the industry for specific product applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Enabling Ambient Stability of LiNiO 2 Lithium-Ion Battery Cathode Materials via Graphene–Cellulose Composite Coatings

Nickel-rich layered oxides are widely used as cathode materials for energy-dense lithium-ion batteries. These chemistries, based on the parent compound LiNiO 2 (LNO), are highly sensitive to ambient environments and are known to readily react with moisture and carbon dioxide. As a result, impurities such as lithium hydroxides and lithium carbonates are formed at the LNO surface, compromising electrochemical behavior. Here, we address this issue by coating LNO cathode particles with a hydrophobic barrier layer composed of graphene and ethyl cellulose (GrEC). This coating limits contact between atmospheric moisture and the LNO surface, which minimizes the generation of lithium impurities. This scheme is evaluated by exposing coated LNO to humidified CO 2 for 24 h as an accelerated ambient degradation test. Subsequent spectroscopy, microscopy, and electrochemical characterization show no detectable signatures of carbonates on the LNO surface, thus verifying that the GrEC coating prevents ambient degradation. In conclusion, by demonstrating this methodology for the ultimate nickel-rich chemistry, this approach can likely be generalized to a wide range of ambient-sensitive battery materials.

25 ENERGY STORAGE↗
DOE OSTI2023

Theoretical Insights on the Fragmentation of Cellulosic Oligomers to Form Hydroxyacetone and Hydroxyacetaldehyde

The presence of heavy unknown oligomeric sugar products in bio-oil is evidenced in experimental results reported in the literature. In this paper, we study the fragmentation reactions yielding acetol and glycolaldehyde from oligomeric sugars following previous work on dehydration reactions to propose structures of these oligomers. Acetol and glycolaldehyde are primary products of cellulose fast pyrolysis but the fragmentation reaction mechanism of these compounds from oligomers merits further study. The density functional theory (DFT) approach was employed to study this reaction. Results revealed that acetol and glycolaldehyde fragments are favorably removed from the non-reducing end based on their thermodynamic stabilities. Theoretical FTIR and NMR spectra were calculated to aid in understanding the structures of the oligomeric sugars. Also, the thermodynamics and physical properties of these compounds were estimated using the Group Contribution Method (GCM). In conclusion, these properties are essential in the design of processing technologies and the upgrading of products.

10 SYNTHETIC FUELS↗
DOE OSTI2021

Effect of Graft Molecular Weight and Density on the Mechanical Properties of Polystyrene-Grafted Cellulose Nanocrystal Films

In this work, polymer-grafted nanoparticle (PGN) films were prepared from polystyrene (PS) grafted to rodlike cellulose nanocrystals (MxG-CNC-g-PS) with a controllable grafting density (0.03–0.25 chains/nm 2 ) and molecular weight (5–60 kg/mol). These nanorod-based PGNs are solution- and melt-processible, permitting access to one-component composite films with high nanofiller loadings (with up to 55 wt %). The impact of both grafted polymer density and molecular weight on the mechanical properties of the films was investigated and related to the polymer brush conformation: concentrated polymer brush (CPB), semidilute polymer brush (SDPB), or CPB core with SDPB corona (CPB/SDPB). The rubbery regime storage modulus (above $T_g$) showed 2 orders of magnitude increase, maximizing at a low degree of polymerization (N) and low grafting density (σ). Fracture toughness was maximized in samples with the grafted polymer in the SDPB or CPD/SDPB (higher N and relatively low σ) regime and showed enhancement relative to PS of molecular weight similar to the graft. In line with prior computation predictions, optimizing for both rubbery modulus and fracture toughness in such nanorod-based PGN films requires the polymers in the SDPB regime and CNC loading levels (ca. 50–60 wt %) that are difficult to attain in more traditional two-component CNC composites.

36 MATERIALS SCIENCE↗