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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Pilot-Scale Pelleting Tests on High-Moisture Pine, Switchgrass, and Their Blends: Impact on Pellet Physical Properties, Chemical Composition, and Heating Values

In this study, we evaluated the pelleting characteristics of southern yellow pine (SYP), switchgrass (SG), and their blends for thermochemical conversion processes, such as pyrolysis and gasification. Using a pilot-scale ring-die pellet mill, we specifically assessed the impact of blend moisture, length-to-diameter (L/D) ratio in the pellet die, and ratio of pine to SG on the physico-chemical properties of the resulting pellets. We found that an increase in pine content by 25–50% marginally affected the bulk density; however, it also led to an increase in calorific value by 7% and a decrease in ash content by 72%. A moisture content of 25% (wet basis) and an L/D ratio of 5 resulted in poor pellet durability at <90% and bulk density values of <500 kg/m 3 , but increasing the L/D ratio to 9 and lowering the moisture content to 20% (w.b.) improved the pellet durability to >90% and the bulk density to >500 kg/m 3 . Blends with ≥50% pine content resulted in lower energy consumption, while a lower L/D ratio resulted in higher pelleting energy. Based on these findings, we successfully demonstrated the high-moisture pelleting of 2.5 ton of pine top residues blended with SG at 60:40 and 50:50 ratios. The quality of the pellets was monitored off-line and at-line by near infrared (NIR) spectroscopy. Multivariate models constructed by combining the NIR data and the pelleting process variables could successfully predict the pine content (R 2 = 0.99), higher heating value (R 2 = 0.98), ash (R 2 = 0.95), durability (R 2 = 0.94), and bulk density (R 2 = 0.86) of the pellets. Thus, we established how blending and densification of SYP and SG biomass could improve feedstock specifications and that NIR spectroscopy can effectively monitor the pellet properties during the high-moisture pelleting process.

09 BIOMASS FUELS↗
DOE OSTI2020

Briquetting characteristics of woody and herbaceous biomass blends: Impact on physical properties, chemical composition, and calorific value

Abstract Intercropping (or polyculture) is gaining a lot of interest as it increases yields, allows better utilization of resources (water and nutrients), and provides better land management. The objective of this study is to understand the briquetting characteristics of woody and herbaceous biomass blends, which might result from intercropping. Tests were conducted on blends of lodgepole pine, switchgrass, and corn stover biomass using three hammer mill screen sizes (i.e., 4.8, 12.7, and 19.05 mm), three blend moistures (12%, 15%, and 18%, w.b.), and two‐ and three‐blend ratios (i.e., 1:1 and 1:1:1) using a pilot‐scale hydraulic briquette press. The briquette properties, such as unit and bulk density, durability rating after 5 days of storage (as they tend to attain stable density), and the energy consumption of the process were measured. The results indicate that moisture content of 12% and 15% (w.b.) and smaller hammer mill screen size of 4.8 mm increased the unit and bulk densities to >750 and >430 kg/m 3 and moisture content (15% and 18% (w.b.)) and hammer mill screen size of 12.7 and 19.05 mm produced briquettes with durability rating values of >95%. The higher moisture content of 18% (w.b.) and the hammer mill screen size of 12.7 and 19.05 mm had the highest energy consumption. The proximate and ultimate analysis showed that energy content improved by blending lodgepole pine with both corn stover and switchgrass and also showed increased calorific value and reduced ash content. Scanning electron microscopy micrographs showed interlocking of particles and cracks in the briquettes. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd

Tumuluru, Jaya Shankar↗
DOE OSTI2021

Insights into the Physical-Chemical Properties of a CO2-Responsive Fracturing Fluid

Here we determine the phase behavior of StimuFrac, a CO2 responsive fracturing fluid, under geothermal wellbore conditions. StimuFrac is an aqueous poly(allylamine) fluid that crosslinks in the presence of CO2. StimuFrac significantly reduces the net pressure required to induce fractures, relative to other fracture fluids, and has potential to reduce water use. However, the phase behavior and equations of state to describe StimuFrac’s phase behavior remain unavailable. Here we determine the density and molar volume of the fluid as a function of geothermal relevant temperatures, pressures, and weight fractions of StimuFrac added. In general, experiments find that StimuFrac’s density decreases as temperature and pressure increase. Using these results, equations of saturated state and phase diagrams for different polymer concentrations are reported. These results are critical inputs for planned numerical simulation efforts.

Pease, Leonard F.↗
DOE OSTI2020

The chemical and physical properties of tetravalent lanthanides: Pr, Nd, Tb, and Dy

The fundamental redox chemistry and valence electronic structure of the lanthanides in molecular complexes and extended solids continues to be a fertile area of research. The contemporary understanding of the accessible oxidation states of the lanthanide elements and the variability in their electronic structure is the result of several paradigm shifts. While the lanthanide elements have already found widespread use in technical and consumer applications, the continued reevaluation of basic redox properties is a central chemical concern to establish a more complete description of periodic properties. This fundamental understanding of valence electronic structure as it is derived from oxidation state and coordination environment is essential for the continued development of lanthanides in quantum information science and quantum materials research. This review presents the chemical and physical properties of tetravalent lanthanide ions in extended solids and molecules with a focus on the elements apart from cerium: praseodymium, neodymium, terbium, and dysprosium.

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

Effects of X-Rays, Electron Beam, and Gamma Irradiation on Chemical and Physical Properties of EVA Multilayer Films

Gamma-ray irradiation, using the cobalt-60 isotope, is the most common radiation modality used for medical device and biopharmaceutical products sterilization. Although X-ray and electron-beam (e-beam) sterilization technologies are mature and have been in use for decades, impediments remain to switching to these sterilization modalities because of lack of data on the resulting radiation effects for the associated polymers, as well as a lack of education for manufacturers and regulators on the viability of these sterilization alternatives. For this study, the compatibility of ethylene vinyl acetate (EVA) multilayer films with different ionizing radiation sterilization (X-ray, e-beam, and gamma irradiation) is determined by measuring chemical and physical film properties using high performance liquid chromatography, differential scanning calorimetry, Fourier-Transform InfraRed spectroscopy (FTIR), surface energy measurement, and electron spin resonance techniques. The results indicate that the three irradiation modalities induce no differences in thermal properties in the investigated dose range. Gamma and X-Ray irradiations generate the same level of reactive species in the EVA multilayer film, whereas e-beam generates a reduced quantity of reactive species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Effects of Recovery Conditions and Aggregation Mechanisms on the Chemical and Physical Properties of Hybrid Poplar and Corn Stover Lignins

Heterogeneity in the physical properties and processing behavior of lignins recovered from biorefining process streams can hinder their effective utilization and industrial valorization. This work investigates lignin recovery by acidification from alkaline pretreatment liquors of varying sources (corn stover and hybrid poplar), compositions, solid contents, and incubation temperatures prior to filtration. Recovered lignins were characterized for filtration performance, mass yield, chemical composition, particle size and morphology, and color. A transition temperature was identified corresponding to marked shifts in lignin physical properties and was a function of the solid content and liquor source. Filtration below this temperature yielded slow-filtering, dark, brittle lignins with smoother particle surfaces, whereas precipitation above this threshold yielded fast-filtering, lighter, powdery lignins with rougher particle surfaces. The impact of temperature and concentration on universal cluster aggregation mechanisms was proposed to explain the differences between lignin particle properties and filtration behavior.

Aggregation↗
DOE OSTI2020

Effects of Revegetation on Soil Physical and Chemical Properties in Solar Photovoltaic Infrastructure

Solar photovoltaic (PV) technology is being deployed at an unprecedented rate. However, utility-scale solar energy development is land intensive and its large-scale installation can have negative impacts on the environment. In particular, solar energy infrastructure can require extensive landscape modification that transforms soil ecological functions, thereby impacting hydrologic, vegetative, and carbon dynamics. However, reintroducing native vegetation to solar PV sites may be a means of restoring their soils. To this end, we investigated critical soil physical and chemical parameters at a revegetated photovoltaic array and an adjacent reference grassland in Colorado, United States. Seven years after revegetation, we found that carbon and nitrogen remained lower in the PV soil than in the reference soil and contained a greater fraction of coarse particles. We also found that the PV modules introduced heterogeneity in the soil moisture distribution, with precipitation accumulating along the lower edges of panels. The redistribution of soil moisture by panel arrays could potentially be used in concert with planting strategies to maximize plant growth or minimize soil erosion, and should be considered when evaluating the potential to co-locate vegetation with solar infrastructure.

14 SOLAR ENERGY↗
DOE OSTI2024

Recent advancements in chiral spintronics: from molecular-level insights to device applications. A prospect based on the interplay between physical and chemical properties of chiral systems

This review discusses recent advancements in chiral-based spin-electronic devices achieved using suitable combinations of organic, inorganic and hybrid materials. The focus is on how chirality can be effectively used to control spin in practical applications, particularly in spintronic sensors and consumer devices. Interestingly, the underlying mechanism for this control is the chiral-induced spin selectivity (CISS) effect, which links the structural chirality of a material to its spin-selective electronic transport properties. The CISS effect arises from the observation that charge transmission in chiral systems is spin selective. Experimental evidence suggests a relationship between electron spin and the structural handedness of the material. In conclusion, this unique structure-transport relationship can be exploited to design a wide range of spintronics devices, including memory, transistors, logic gates and molecular q-bits.

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

Dynamic Mixing Behaviors of Ionically Tethered Polymer Canopy of Nanoscale Hybrid Materials in Fluids of Varying Physical and Chemical Properties

An emerging area of sustainable energy and environmental research is focused on the development of novel electrolytes that can increase the solubility of target species and improve subsequent reaction performance. Electrolytes with chemical and structural tunability have allowed for significant advancements in flow batteries and CO 2 conversion integrated with CO 2 capture. Liquid-like nanoparticle organic hybrid materials (NOHMs) are nanoscale fluids that are composed of inorganic nanocores and an ionically tethered polymeric canopy. NOHMs have been shown to exhibit enhanced conductivity making them promising for electrolyte applications, though they are often challenged by high viscosity in the neat state. In this study, a series of binary mixtures of NOHM-I-HPE with five different secondary fluids, water, chloroform, toluene, acetonitrile, and ethyl acetate, were prepared to reduce the fluid viscosity and investigate the effects of secondary fluid properties (e.g., hydrogen bonding ability, polarity, and molar volume) on their transport behaviors, including viscosity and diffusivity. We report our results revealed that the molecular ratio of secondary fluid to the ether groups of Jeffamine M2070 ($λ_{\text{SF}}$) was able to describe the effect that secondary fluid has on transport properties. Our findings also suggest that in solution, the Jeffamine M2070 molecules exist in different nanoscale environments, where some are more strongly associated with the nanoparticle surface than others, and the conformation of the polymer canopy was dependent on the secondary fluid. This understanding of the polymer conformation in NOHMs can allow for the better design of an electrolyte capable of capturing and releasing small gaseous or ionic species.

25 ENERGY STORAGE↗
DOE OSTI2022

Soil moisture, physical and chemical properties coincident with airborne SAR data collections for 2017 and 2019, Seward Peninsula, Alaska

Soil samples were collected coincident with in-situ soil moisture and thaw depth measurements at NGEE Arctic study sites on the Seward Peninsula, Alaska in August 2017 and 2019 Field measurements and flights were conducted during both summers as a collaboration between the NASA ABoVE Project's Airborne SAR Campaign and the NGEE Arctic Project. Airborne overflights of L-band SAR instruments occurred during the soil sampling periods. Laboratory measurements of soil properties include bulk density, volumetric and gravimetric water content, carbon and nitrogen content, and particle size of mineral components. Soil samples processed and reported in this dataset were collected coincident with in situ measurements of soil moisture and thaw depth and airborne P-band and L-band SAR measurements as a collaboration between NGEE Arctic and NASA ABoVE. To learn more about how ABoVE protocols were applied for sampling site selection and making in situ measurements, see the following datasets: (2017: https://doi.org/10.5440/1423892 and 2019: https://doi.org/10.5440/1856042). Contained in this dataset are four .csv data files (including data dictionaries) and one zipped folder of *.pdf files.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort (with some overlap with Covid-19 pandemic) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Advanced biorefinery feedstock from non-recyclable municipal solid waste by mechanical preprocessing

Because of accelerated urbanization and the development of a global economy, a large quantity of municipal solid waste (MSW) has been collected and disposed of by the municipalities. Due to this drastic increase in the disposal of MSW, the need for its management is a must to preserve the environment. Currently, approximately 50% of the total MSW generated in the United States has been utilized through various recycling, combustion, and composting technologies, which means the remaining 50% is sent to landfill; this is often known as non-recyclable MSW (nMSW). As this nMSW is physically and chemically heterogenous and contains very high amounts of inorganic material, processing is required prior to using it as a biorefinery feedstock. Thus, this study focused on how mechanical preprocessing advanced the physical and chemical properties of nMSW. The physical and chemical properties were investigated in terms of particle size distribution, bulk density, ultimate and proximate analysis, and the higher heating value (HHV). The combustion properties were examined in terms of ignition temperature, peak heat release rate, and combustion efficiency. Results showed that the variability of physical and chemical properties of nMSW can be reduced by mechanical preprocessing. For example, the variability of the bulk density of the as-received nMSW was approximately 17.3% while it reduced to 5.8% when the sample size was reduced to 2 mm. Similarly, the variability of ash and HHV reduced from 49.2% to 11.0% and 13.4%–4.2%, respectively. Combustion thermograms showed that the size reduction positively improved the combustion properties. For example, 2 mm of spec sample started to ignite approximately 4 times earlier and took 6.5 folds less time to reach the peak heating rate compared to as-received nMSW. Overall, the mechanical preprocessing reduced the variability of physical and chemical properties in addition to the improvement of combustion behavior of the nMSW which is one step forward toward the biorefinery feedstock.

09 BIOMASS FUELS↗
DOE OSTI2023

Elucidation of Structure and Physical Properties of Pyrolytic Sugar Oligomers Derived from Cellulose Depolymerization/Dehydration Reactions: A Density Functional Theory Study

Fast pyrolysis of lignocellulosic materials is a promising research area to produce renewable fuels and chemicals. Dehydration is known to be among the most important reaction families during cellulose pyrolysis; water is the most important product. Together with water, dehydration reactions also form a range of poorly known oligomer species of varying molecular sizes, often collected as part of bio-oil water-soluble (WS) fraction. In this work, we used electronic structure calculations to evaluate the relative thermodynamic stabilities of several oligomer species resulting from up to three consecutive dehydration events from cellulose depolymerization intermediates. A library of the thermodynamically favored candidate molecular structures was compiled. Results revealed that most of the water molecules are eliminated from the non-reducing end, forming thermodynamically more stable conjugated compounds. This is consistent with results reported by other researchers in literature where dehydration reactions occur preferably at the non-reducing ends of oligomers. The physical-chemical properties of the proposed structures were estimated using quantitative structure-property relationships (QSPRs) and quantitative property-property relationships (QPPRs). The anhydro-sugars derived from cellulose are often blamed for coke formation during bio-oil hydrotreatment. Understanding their chemical structure could help to develop rational strategies to mitigate coke formation. Furthermore, the thermo-physical properties reported (boiling point, melting point, Gibb’s free energy of formation, enthalpy of formation, and solubility parameters among others) are also fundamental to conducting first principle engineering calculations to design and analyze new pyrolysis reactors and bio-oil up-grading units.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Visualizing the NIOSH Pocket Guide: Open-source web application for accessing and exploring the NIOSH Pocket Guide to Chemical Hazards

The NIOSH Pocket Guide to Chemical Hazards is a trusted resource that displays key information for a collection of chemicals commonly encountered in the workplace. Entries contain chemical structures—occupational exposure limit information ranging from limits based on full-shift time-weighted averages to acute limits such as short-term exposure limits and immediately dangerous to life or health values, as well as a variety of other data such as chemical-physical properties and symptoms of exposure. The NIOSH Pocket Guide (NPG) is available as a printed, hardcopy book, a PDF version, an electronic database, and a downloadable application for mobile phones. All formats of the NIOSH Pocket Guide allow users to access the data for each chemical separately, however, the guide does not support data analytics or visualization across chemicals. This project reformatted existing data in the NPG to make it searchable and compatible with exploration and analysis using a web application. The resulting application allows users to investigate the relationships between occupational exposure limits, the range and distribution of occupational exposure limits, and the specialized sorting of chemicals by health endpoint or to summarize information of particular interest. These tasks would have previously required manual extraction of the data and analysis. The usability of this application was evaluated among industrial hygienists and researchers and while the existing application seems most relevant to researchers, the open-source code and data are amenable to modification by users to increase customization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗