Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CHEMICAL COMPOSITION”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Organic amendments change soil organic C structure and microbial community but not total organic matter on sub-decadal scales

Organic C has many benefits for soil, but it is depleted by tillage and crop harvest, and especially so for biofuel crops. Accordingly, strategies such as partially retaining stover or planting a cover crop can help ameliorate the negative effect of C removal. We used a long-term field experiment to study the impacts of stover retention and planting cover crop on soil organic matter (SOM), its extractable components and the soil microbial community. SOM chemical composition characterization was determined by electrospray ionization (ESI) coupled with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) in sequential water, methanol (MeOH), and chloroform (CHCl3) extracts. The characteristics of the soil bacterial community were measured by phospholipid fatty acid (PLFA), real-time quantitative PCR, and 16S rRNA gene sequence. The variations in total SOM content, total microbial biomass, and bacterial population were slight among treatments, but SOM chemical compounds, arbuscular mycorrhizal fungi (AMF) biomass, and bacterial structure changed significantly, and especially so in the coupled application of stover retention and cover crop. Specifically, stover retention enriched more lignin-like compounds in soil, whereas cover crop enriched more condensed hydrocarbons, and had more compounds with an aromaticity index (AI) >0.5. The bacterial community was not altered by the cover crop, but the corn stover retention increased the relative abundances of Myxococcales (Deltaproteobacteria) and decreased that of Actinobacteria. Redundancy analysis (RDA) further unveiled that the bacterial community in the stover treatments had significantly positive association with CHCl3-extracted chemical classes, i.e. unsaturated hydrocarbon and lipid with the coupled application (stover and cover crop), and lignin and protein with the single corn stover treatment. Taken together, our study shows how different C addition practices influence the molecular composition of SOM and the structure of soil microbial communities.

Xu, Jiangbin↗
DOE OSTI2022

Analysis of DWPF Sludge Batch 6 (Macrobatch 7): Pour Stream Glass Samples

The Defense Waste Processing Facility (DWPF) began processing Sludge Batch 6 (SB6), also referred to as Macrobatch 7 (MB7), in June 2010. SB6 is a blend of the heel of Tank 40 from Sludge Batch 5 (SB5), H-Canyon Np transfers and SB6 that was transferred to Tank 40 from Tank 51.1 SB6 was processed using Frit 418. Sludge is received into the DWPF Chemical Processing Cell (CPC) and is processed through the Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator Tank (SME). The treated sludge slurry is then transferred to the Melter Feed Tank (MFT) and fed to the melter. During processing of each sludge batch, the DWPF is required to take at least one glass sample to meet the objectives of the Glass Product Control Program (GPCP) and to complete the necessary Production Records so that the final glass product may be disposed of at a Federal Repository. The DWPF requested various analyses of radioactive glass samples obtained from the melter pour stream during processing of SB6 as well as reduction/oxidation (REDOX) analysis of MFT samples to determine the impact of Argon bubbling. Sample analysis followed the Task Technical and Quality Assurance Plan (TTQAP) and an Analytical Study Plan (ASP). Four Pour Stream (PS) glass samples and two MFT slurry samples were delivered to the Savannah River National Laboratory (SRNL) from the DWPF. Table 1-1 lists the sample information for each pour stream glass sample. SB6 PS3 (S03472) was selected as the official pour stream sample for SB6 and full analysis was requested. This report details the visual observations of the as-received SB6 PS No.3 glass sample as well as results for the chemical composition, Product Consistency Test (PCT), radionuclide content, noble metals, and glass density. REDOX results will be provided for all four pour stream samples and vitrified samples of MFT-558 and MFT-568A. Where appropriate, data from other pour stream samples will be provided.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1985

Computer-aided design of polymers and composites

This book on computer-aided design of polymers and composites introduces and discusses the subject from the viewpoint of atomic and molecular models. Thus, the origins of stiffness, strength, extensibility, and fracture toughness in composite materials can be analyzed directly in terms of chemical composition and molecular structure. Aspects of polymer composite reliability are considered along with characterization techniques for composite reliability, relations between atomic and molecular properties, computer aided design and manufacture, polymer CAD/CAM models, and composite CAD/CAM models. Attention is given to multiphase structural adhesives, fibrous composite reliability, metal joint reliability, polymer physical states and transitions, chemical quality assurance, processability testing, cure monitoring and management, nondestructive evaluation (NDE), surface NDE, elementary properties, ionic-covalent bonding, molecular analysis, acid-base interactions, the manufacturing science, and peel mechanics.

Kaelble, D. H.↗
DOE OSTI2025

Chemical Imaging of Atmospheric Biomass Burning Particles from North American Wildfires

The effects of biomass burning aerosols (BBA) on radiative forcing and cloud formation depend on chemical composition and the internal structures of individual particles within smoke plumes. To improve our understanding of the chemical and physical properties of BBA emitted at different times of the day and their evolution during atmospheric aging, we conducted a study as a part of the Fire Influence on Regional to Global Environments and Air Quality field campaign. Particle samples were collected onboard a research aircraft from smoke plumes from a wildfire in eastern Oregon during late afternoon and nighttime flights on August 28, 2019. A time-resolved aerosol collector was used to collect samples on substrates for offline spectromicroscopic imaging to investigate the single-particle characteristics of BBA particles. Approximately 20,400 individual particles from 10 selected samples were analyzed using computer-controlled scanning electron microscopy coupled with energy-dispersive X-ray microanalysis, revealing their elemental composition, morphology, and viscosity. Elemental microanalysis indicated that aged potassium is likely found in the form of K 2 SO 4 , KNO 3 , and possible K-organic salts. Further chemical speciation and carbon bonding mapping within individual particles were conducted using synchrotron-based scanning transmission X-ray microscopy (STXM) coupled with near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Real-time, water-soluble light absorption measurements were acquired using a particle-into-liquid sampler instrument coupled to a liquid waveguide capillary cell and total organic analyzer. In the late afternoon samples, 65% of the total particle number population consisted entirely of organic components, compared to 46% in the nighttime particles. These differences were attributed to discrepancies in composition at the time of emission and to the daytime condensation and accumulation of photochemically formed secondary organic material on existing BBA particles, a process that halts at night. Microscopy images indicated that particle viscosity was lower in the nighttime particles (<10 1 Pa·s), likely due to increased relative humidity and a higher contribution from hygroscopic inorganic components. The chemical heterogeneity of individual particles was quantified using STXM-derived mixing state parameters. The nature of carbon bonding within individual particles was inferred from the extent of carbon sp 2 hybridization derived from NEXAFS spectra. Average percentages of sp 2 hybridization range between 40% and 60%, with no noticeable differences between late afternoon and nighttime flights. These findings were compared with the online optical properties of both late afternoon and nighttime smoke plumes, providing valuable insights into the complex relationship between chemical composition and optical properties of BBA particles at different times of the day.

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

Strength-promoting mechanism of alkanolamines on limestone-calcined clay cement and the role of sulfate

This paper reports the strength-promoting mechanism of alkanolamines on limestone-calcined clay cement (LC{sup 3}). The hydration kinetics, phase formation and microstructure of LC{sup 3} with triethanolamine (TEA) or triisopropanolamine (TIPA) were investigated. TEA enhanced the strength of LC{sup 3}, while TIPA was effective at 28 days, and a correct sulfate addition promoted their effects. Alkanolamines accelerated the aluminate reaction of LC{sup 3} during early hydration, increased sulfate slowed this reaction by producing more ettringite. TIPA favoured the hydration of ferrite in clinker, not only accelerated the silicate reaction of metakaolin, but also resulted in a rapid limestone reaction. Alkanolamines altered the morphology and chemical composition of the aluminate hydrates and C-A-S-H. Alkanolamines enabled the reduction of porosity of hardened pastes and the increased sulfate further refined them. It was the large pores being induced by TIPA at early ages that were considered to have an adverse impact on the early strength of LC{sup 3}.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Recovery of Cs-137 from Electric Arc Furnace Dust - 20562

The present work proposes the Cs-137 recovery from Electric Arc Furnace Dusts (EAFD) by leaching, in order to reduce the volume of radioactive waste to be managed. Leaching tests were performed on different samples of EAFD contaminated with Cs-137. Two leaching methodologies were tested: dynamic and static using as medium distilled water and in some cases NaOH. The results indicate the possibility of recovering Cs-137 from EAFD using the dynamic method; however, the recovery efficiencies of Cs-137 depend on EAFD's chemical composition. The leachates of Cs-137 were quantitatively adsorbed on exchange resins, showing its great potential to isolate or contain the Cs-137 recovery from EAFD. This study shows the feasible to apply the dynamic leaching methodology to recover Cs-137 from EAFD and the use of ion exchange resins for the isolation of removed Cs-137. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Microfibril orientation and compositional heterogeneity in fiber and vessel cell walls of poplar xylem studied by AFM-IR and SFG spectroscopy

Understanding the structural organization of cellulose microfibrils (CMFs) within individual plant cell walls is essential for connecting cell wall architecture to its mechanical and physiological functions. However, due to the complex hierarchical structure and nanoscale heterogeneity of cell walls, it remains technically challenging to resolve detailed compositional and orientational information at subcellular levels of individual cell walls. This study investigates the internal 3D structure, chemical composition, and sublayer organization of fiber and vessel cell walls in the xylem tissue of a two-year-old field-grown hybrid poplar tree (Populus alba × P. glandulosa) using photothermal atomic force microscopy coupled with infrared spectroscopy (AFM-IR) and sum frequency generation (SFG) hyperspectral microscopy. AFM-IR provided nanoscale chemical imaging, revealing localized compositional heterogeneity, including variations between adjacent cell walls and transitional layers beyond the traditional S1, S2, and S3 sublayers. SFG microscopy revealed that CMFs in fiber walls are highly aligned along the stem axis, consistent with their role in mechanical support, while vessel cell walls exhibited slightly tilted CMFs, reflecting their function in hydraulic transport. Together, these results offer new insights into cell-type-specific CMF organization and compositional gradients in hybrid poplar xylem. These findings highlight the structural and chemical complexity of secondary cell walls in woody plants and demonstrate the value of AFM-IR and SFG spectroscopy in elucidating plant cell wall architecture.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Atom Probe Tomography Analysis of Mica

Laser-assisted atom probe tomography (APT) is a relatively new, powerful technique for sub-nanometric mineral and biomineral analysis. However, the laser-assisted APT analysis of highly anisotropic and chemically diverse minerals, such as phyllosilicates, may prove especially challenging due to the complex interaction between the crystal structure and the laser pulse upon applying a high electric field. Micas are a representative group of nonswelling clay minerals of relevance to a number of scientific and technological fields. In this study, a Mg-rich biotite was analyzed by APT to generate preliminary data on nonisotropic minerals and to investigate the effect of the crystallographic orientation on mica chemical composition and structure estimation. Here, the difference in results obtained for specimens extracted from the (001) and ( hk 0) mica surfaces indicate the importance of both experimental parameters and the crystallography. Anisotropy of mica has a strong influence on the physicochemical properties of the mineral during field evaporation and the interpretation of APT data. The promising results obtained in the present study open the way to future innovative APT applications on mica and clay minerals and contribute to the general discussion on the challenges for the analysis of geomaterials by atom probe tomography.

3D reconstructions↗
DOE OSTI2022

Image Analysis for Rapid Assessment and Quality-Based Sorting of Corn Stover

Imaging in the visible spectrum is a low-cost tool that can be readily deployed for in-field or over-belt monitoring of biomass quality for bio-refining operations. Rapid image analysis coupled with innovative preprocessing may reduce the impacts of feedstock variability through identification of contaminants or other material attributes to guide selective sorting and quality management. Image analysis was employed to evaluate the quality of corn stover in red-green-blue (RGB) chromatic space. This study used controlled, bench-scale imaging as a proof-of-concept for rapid quality assessment of corn stover based on variations in material attributes, including chemical and physical attributes, that relate to biological degradation and soil contamination. Additionally, logistic regression-based classification algorithms were used to develop a method for biomass screening as a function of biological degradation or soil contamination. This study demonstrated the use of image analysis to extract features from RGB color space to investigate variations in critical material attributes from chemical composition of corn stover. Fourier transform infrared (FT-IR) suggested a correlation between red band intensity and biological degradation, while detailed surface texture analysis was found to distinguish among variations in ash. These insights offer promise for development of a rapid screening tool that could be deployed by farmers for in-field assessment of biomass quality or biorefinery operators for in-line sorting and process optimization.

09 BIOMASS FUELS↗
DOE OSTI2023

Quantitative chemical assay of nanogram-level particulate matter using aerosol mass spectrometry: characterization of particles collected from uncrewed atmospheric measurement platforms

Abstract. Aerosol generation techniques have expanded the utility of aerosol mass spectrometry (AMS) for offline chemical analysis of airborne particles and droplets. However, standard aerosolization techniques require relatively large liquid volumes (e.g., several milliliters) and high sample masses that limit their utility. Here we report the development and characterization of a micronebulization AMS (MN-AMS) technique that requires as low as 10 µL of sample and can provide the quantification of the nanogram level of organic and inorganic substances via the usage of an isotopically labeled internal standard (34SO42-). Using standard solutions, the detection limits for this technique were determined at 0.19, 0.75, and 2.2 ng for sulfate, nitrate, and organics, respectively. The analytical recoveries for these species are 104 %, 87 %, and 94 %, respectively. This MN-AMS technique was applied successfully to analyze filter and impactor samples collected using miniature particulate matter (PM) samplers deployable on uncrewed atmospheric measurement platforms, such as uncrewed aerial systems (UASs) and tethered balloon systems (TBSs). Chemical composition of PM samples collected from a UAS field campaign conducted at the Department of Energy's (DOE) Southern Great Plains (SGP) observatory was characterized. The offline MN-AMS data compared well with the in situ PM composition measured by a co-located aerosol chemical speciation monitor (ACSM). In addition, the MN-AMS and ion chromatography (IC) agreed well for measurements of sulfate and nitrate concentrations in the PM extracts. This study demonstrates the utility of combining MN-AMS with uncrewed measurement platforms to provide quantitative measurements of ambient PM composition.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1974

X-ray spectral microanalysis of composition of individual lunar regolith particles

Determinations were made of the chemical compositions of selected olivine crystals, spherical particles ranging in size from 170 to 350 micrometer, spinels, and magnetic particles. The olivines contain 30 to 50 mole percent fayalite. The spherical particles of various colors are aluminosilicate glasses, significantly enriched in CaO compared with the mean composition of the regolith. The degree of coloration depends on the FeO content and also the admixtures TiO2, MnO, and Cr2O3. Compositionally, the spinel was interpreted to be chromopicotites. Magnetic particles were shown to be complex intergrowths of nickelous iron and aluminosilicates. The composition of the metallic phase of one particle (in percent) was: Fe - 86, Ni - 13.6, and Co - 0.16 in combination with plagioclase and microinclusions of ilmenite in silicate. Kamacite was determined in another intergrowth of Fe, Ni, and Co.

Ilin, N. P.↗
NASA NTRS1993

Refractory inclusions from the Leoville, Efremovka, and Vigarano C3V chondrites - Major element differences between Types A and B, and extraordinary refractory siderophile element compositions

Instrumental neutron activation analysis is used to measure the bulk chemical compositions of ten Ca-, Al-rich inclusions (CAIs) from three C3V chondrites of the reduced subgroup, five from Leoville, three from Efremovka, and two from Vigarano. Six of the inclusions are found to possess very large fractionations between refractory siderophile elements, and four of the six have remarkably high concentrations of these siderophiles, as compared with CAIs analyzed previously. Most of the inclusions analyzed here have lower concentrations of Na, Au, Fe, Zn, and Mn than their Allende counterparts, consistent with the idea that they have experienced secondary alteration at a higher temperature or for a shorter time than did Allende inclusions.

Sylvester, Paul J.↗
NASA NTRS1993

Effects of bulk composition on production rates of cosmogenic nuclides in meteorites

The bulk chemical composition of meteorites has been suggested as a main factor influencing the production of cosmogenic nuclides. Numerical simulations with Los Alamos Monte Carlo production and transport codes were done for Ne-21/Ne-22 ratios and Ar-38 production rates in meteorites with a wide range of compositions. The calculations show that an enhanced flux of low-energy secondary particles in metal-rich phases is the essential key for the explanation of experimentally observed differences in nuclide production processes in various meteorite classes.

Masarik, Jozef↗
DOE OSTI2021

Influence of CaO/FeO ratio on the formation mechanism and properties of alkali-activated Fe-rich slags

Highlights: • Effect of the CaO/FeO molar ratio in alkali-activated Fe-rich slags is unraveled. • Low CaO/FeO molar ratios enhance the early kinetics and compressive strength. • Reaction extent and strength further increase with higher CaO/FeO ratio after 7 days. • Fe{sup 2+}-trioctahedral layers of the binder are hydroxylated and in a silicate phase. • The final strength is determined by the influence of Ca on the reaction products. In the search for CO{sub 2} mitigating cement technologies, alkali-activated Fe-rich slags present a possible alternative. The influence of the chemical composition of the synthetic Fe-silicate slag on the reaction mechanisms is assessed by varying the CaO/FeO molar ratio. The alkali-activated Fe-rich slags consist of trioctahedral layers that are shown to be hydroxylated and in contact with silicates, in a similar way to phyllosilicate minerals. The formation of this phyllosilicate-like structure is hindered during the first days for samples with high CaO/FeO ratios, because of the partial incorporation of Ca in the trioctahedral layers. At later ages, the samples with higher CaO/FeO ratios gain in reaction extent, to exceed the reaction extent of low CaO/FeO ratios at 28 days and beyond. The increase in compressive strength is even more pronounced than the effect on the reaction extent, which underlines the importance of Ca on the inherent strength of the binding phases.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhanced Detection of Primary Biological Aerosol Particles Using Machine Learning and Single-Particle Measurement

Accurately identifying primary biological aerosol particles (PBAPs) using analytical techniques poses inherent challenges due to their resemblance to other atmospheric carbonaceous particles. Here, we present a study of an enhanced method for detecting PBAPs by combining single-particle measurement with advanced supervised machine learning (SML) techniques. We analyzed ambient particles from a variety of environments and lab-generated standards, focusing on chemical composition for traditional rule-based and clustering approaches and incorporating morphological features into the SML approaches, neural networks and XGBoost, for improved accuracy. This study demonstrates that SML methods outperform traditional methods in quantifying PBAPs, achieving significant improvements in precision, recall, F1-score, and accuracy, leading to an increased number of detected PBAPs by at least 19%. The adaptability of the proposed XGBoost-based SML model is showcased in comparison to traditional methods in categorizing PBAPs for blind data sets from different geographical locations. Two field case studies were investigated, over agricultural land and Amazonia rain forest, representing relatively low and high concentrations of PBAPs, respectively, where XGBoost consistently detected up to 3.5 times more PBAPs than traditional methods. Precise detection of PBAPs in the atmosphere could significantly improve the prediction of climatic impacts by them.

42 ENGINEERING↗
DOE OSTI2021

Tetramethylpyrazine inhibits neutrophil extracellular traps formation and alleviates hepatic ischemia/reperfusion injury in rat liver transplantation

Hepatic ischemia/reperfusion injury (IRI) is an adverse effect for liver transplantation which is characterized by immune response mediated inflammation. Recent studies report that neutrophil extracellular traps (NETs) are implicated in hepatic IRI. The aim of this study was to explore the mechanism of action of tetramethylpyrazine (TMP), the main chemical composition of Ligusticum chuanxiong in treatment of ischemic related diseases. Data showed that hepatic IRI increases the leak of alanine aminotransferase (ALT) and aspartate transaminase (AST), and stimulates formation of NETs. Extracellular DNA/NETs assay, hematoxylin-eosin (HE) staining, immunofluorescence assay, terminal deoxynucleotidyl transferase dUTP nick-end labeling (TUNEL) and Western blot assay, showed that TMP significantly reduces formation of NETs and alleviates hepatic IRI. Moreover, TMP and Diphenyleneiodonium (DPI) suppressed ROS production in neutrophils. In addition, analysis showed that activation of NADPH oxidase plays a role in formation of NETs triggered by hepatic IRI. Notably, TMP inhibited formation of NETs though inhibition of NADPH oxidase. Additionally, Combination treatment using TMP and DPI was more effective compared with monotherapy of either of the two drugs. These findings show that combination therapy using TMP and DPI is a promising method for treatment hepatic IRI.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Estimation of Aerosol Columnar Size Distribution from Spectral Extinction Data in Coastal and Maritime Environment

Aerosol columnar size distributions (SDs) are commonly provided by aerosol inversions based on measurements of both spectral extinction and sky radiance. These inversions developed for a fully clear sky offer few SDs for areas with abundant clouds. Here, we estimate SDs from spectral extinction data alone for cloudy coastal and maritime regions using aerosol refractive index (RI) obtained from chemical composition data. Our estimation involves finding volume and mean radius of lognormally distributed modes of an assumed bimodal size distribution through fitting of the spectral extinction data. We demonstrate that vertically integrated SDs obtained from aircraft measurements over a coastal site have distinct seasonal changes, and these changes are captured reasonably well by the estimated columnar SDs. We also demonstrate that similar seasonal changes occur at a maritime site, and columnar SDs retrieved from the combined extinction and sky radiance measurements are approximated quite well by their extinction only counterparts (correlation exceeds 0.9) during a 7-year period (2013–2019). The level of agreement between the estimated and retrieved SDs depends weakly on wavelength selection within a given spectral interval (roughly 0.4–1 µm). Since the extinction-based estimations can be performed frequently for partly cloudy skies, the number of periods where SDs can be found is greatly increased.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

An in-situ 3D micro-XRD investigation of water uptake by alkali-silica-reaction (ASR) product

The ASR products in concrete have various chemical compositions. It is yet unclear whether and how these products develop micro-expansion upon moisture ingress. This paper presents a 3D in-situ observation of the crystallography and volume change of an ASR-product-filled vein under varying relative-humidity (R.H.). The vein was observed to contain two layered nano-crystalline phases with distinct basal spacings, and was distributed heterogeneously in space. When R.H. changed from 10% to >38%, the basal spacing increased from 7.43 Å to 8.89 Å for one phase, whereas it remained constant (~10.9 Å) for the other. This is the first time that an ASR product is observed in-situ to exhibit crystal structural expansion during wetting process. However, the product-filled vein exhibited no noticeable swelling when R.H. varied from 10% to 97%. Our findings provide the first direct evidence that the moisturization-induced crystal structural change of ASR product may not be a plausible explanation to the macroscale concrete expansion.

36 MATERIALS SCIENCE↗