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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Autothermal Chemical Looping Oxidative Dehydrogenation of Ethane: Redox Catalyst Performance, Longevity, and Process Analysis

Energy-efficient upgrading of stranded ethane from shale gas to olefins holds the promise of increasing the supply of useful chemical feedstocks while reducing flaring-based CO 2 emissions. Previously, we reported a modular ethane-to-liquids (M-ETL) system based on a chemical looping oxidative dehydrogenation (CL-ODH) scheme. In this article, we present long-term (>1200 h) results of Li 2 CO 3 -promoted La 0.8 Sr 0.2 FeO 3 corresponding to ~4125 CL-ODH cycles in a large laboratory-scale packed bed reactor. Temperature monitoring along the bed length confirmed the exothermicity of both the oxidative dehydrogenation and regeneration steps, enabling an autothermal operation. Product gas analysis indicated that the redox catalyst maintains a high C 2+ selectivity (~90%) and ethane conversion (~67%) at 735 °C after continuous cycling of >1000 h. As a result, product distributions and heats of reactions were used to update our M-ETL process model for revised techno-economic analysis, demonstrating that the current system is economically viable with relatively low required selling prices across a wide range of operating scenarios.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Introductory guide to backgrounds in XPS spectra and their impact on determining peak intensities

Photoelectron and Auger peaks are central to most of the important uses of x-ray photoelectron spectroscopy (XPS), and thus, they receive the most attention in many types of analysis. Quantitative chemical analysis using XPS requires the assessment of the intensities of the photoemission peaks of the elements detected. Determination of peak intensities requires separation of the photoelectron peak signals from the background on which the peaks rest. For the determination of peak area intensities, the background is subtracted from overall signal intensity. The spectral background is also critical when peak fitting is used to determine intensities of overlapping peaks, and the model of background used in this process can impact the results. In addition to the impact on quantitative analysis, information about the depth distribution of elements in the near surface region can often be obtained by visual inspection of the background and quantified using appropriate modeling. Here, this introductory guide provides some basic information about backgrounds in the XPS analysis, describes the types of background models that are commonly used, suggests some of their strengths and weaknesses, and provides examples of their use and misuse. Although the fundamental nature of some components of the background signals in XPS is not understood, indicating that none of the models in use are fully correct and the area is subject to active research, appropriate good practices have been established for most routine analysis. The guide describes good practices, identifies errors that frequently appear in the literature, and uses examples to demonstrate the impacts of background selections on determinations of peak intensities.

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

Characterization of DWPF Melter Primary Off-Gas Line Pluggage Deposits

This report details results from characterization of the Defense Waste Processing Facility (DWPF) melter off-gas pluggage deposits collected in late calendar year 2021 from the outlet of the jumper immediately preceding the quencher. DWPF requested through a technical assistance request characterization of the melter off-gas deposits by X-Ray diffraction (XRD), Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Analysis (EDAX), chemical analysis and both aqueous and organic leaching of the solids.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1999

Remote Sensing of Aerosol and their Radiative Forcing of Climate

Remote sensing of aerosol and aerosol radiative forcing of climate is going through a major transformation. The launch in next few years of new satellites designed specifically for remote sensing of aerosol is expected to further revolutionized aerosol measurements: until five years ago satellites were not designed for remote sensing of aerosol. Aerosol optical thickness was derived as a by product, only over the oceans using one AVHRR channel with errors of approx. 50%. However it already revealed a very important first global picture of the distribution and sources of aerosol. In the last 5 years we saw the introduction of polarization and multi-view observations (POLDER and ATSR) for satellite remote sensing of aerosol over land and ocean. Better products are derived from AVHRR using its two channels. The new TOMS aerosol index shows the location and transport of aerosol over land and ocean. Now we anticipate the launch of EOS-Terra with MODIS, MISR and CERES on board for multi-view, multi-spectral remote sensing of aerosol and its radiative forcing. This will allow application of new techniques, e.g. using a wide spectral range (0.55-2.2 microns) to derive precise optical thickness, particle size and mass loading. Aerosol is transparent in the 2.2 microns channel, therefore this channel can be used to detect surface features that in turn are used to derive the aerosol optical thickness in the visible part of the spectrum. New techniques are developed to derive the aerosol single scattering albedo, a measure of absorption of sunlight, and techniques to derive directly the aerosol forcing at the top of the atmosphere. In the last 5 years a global network of sun/sky radiometers was formed, designed to communicate in real time the spectral optical thickness from 50-80 locations every day, every 15 minutes. The sky angular and spectral information is also measured and used to retrieve the aerosol size distribution, refractive index, single scattering albedo and the spectral flux reaching the surface. Effort to introduce remote sensing from lidars will literally additional dimension to aerosol remote sensing. The vertical dimension is a critical link between the global satellite observations and modeling of aerosol transport. Lidars are also critical to study aerosol impact on cloud microphysics and reflectance. Both lidar ground networks and satellite systems are in development. This new capability is expected to put remote sensing in the forefront of aerosol and climate studies. Together with field experiments, chemical analysis and chemical transport models we anticipate, in the next decade, to be able to resolve some of the outstanding questions regarding the role of aerosol in climate, in atmospheric chemistry and its influence on human health and life on this planet.

Kaufman, Yoram J.↗
NASA NTRS1994

Theory, Image Simulation, and Data Analysis of Chemical Release Experiments

The final phase of Grant NAG6-1 involved analysis of physics of chemical releases in the upper atmosphere and analysis of data obtained on previous NASA sponsored chemical release rocket experiments. Several lines of investigation of past chemical release experiments and computer simulations have been proceeding in parallel. This report summarizes the work performed and the resulting publications. The following topics are addressed: analysis of the 1987 Greenland rocket experiments; calculation of emission rates for barium, strontium, and calcium; the CRIT 1 and 2 experiments (Collisional Ionization Cross Section experiments); image calibration using background stars; rapid ray motions in ionospheric plasma clouds; and the NOONCUSP rocket experiments.

Wescott, Eugene M.↗
NASA NTRS1987

Pretest uncertainty analysis for chemical rocket engine tests

A parametric pretest uncertainty analysis has been performed for a chemical rocket engine test at a unique 1000:1 area ratio altitude test facility. Results from the parametric study provide the error limits required in order to maintain a maximum uncertainty of 1 percent on specific impulse. Equations used in the uncertainty analysis are presented.

Davidian, Kenneth J.↗
NASA NTRS1976

Supersonic Flow of Chemically Reacting Gas-Particle Mixtures. Volume 2: RAMP - A Computer Code for Analysis of Chemically Reacting Gas-Particle Flows

A computer program written in conjunction with the numerical solution of the flow of chemically reacting gas-particle mixtures was documented. The solution to the set of governing equations was obtained by utilizing the method of characteristics. The equations cast in characteristic form were shown to be formally the same for ideal, frozen, chemical equilibrium and chemical non-equilibrium reacting gas mixtures. The characteristic directions for the gas-particle system are found to be the conventional gas Mach lines, the gas streamlines and the particle streamlines. The basic mesh construction for the flow solution is along streamlines and normals to the streamlines for axisymmetric or two-dimensional flow. The analysis gives detailed information of the supersonic flow and provides for a continuous solution of the nozzle and exhaust plume flow fields. Boundary conditions for the flow solution are either the nozzle wall or the exhaust plume boundary.

Penny, M. M.↗
DOE OSTI2022

The Open Cluster Chemical Abundances and Mapping Survey. VI. Galactic Chemical Gradient Analysis from APOGEE DR17

The goal of the Open Cluster Chemical Abundances and Mapping (OCCAM) survey is to constrain key Galactic dynamic and chemical evolution parameters by the construction and analysis of a large, comprehensive, uniform data set of infrared spectra for stars in hundreds of open clusters. This sixth contribution from the OCCAM survey presents analysis of SDSS/APOGEE Data Release 17 (DR17) results for a sample of stars in 150 open clusters, 94 of which we designate to be "high-quality" based on the appearance of their color–magnitude diagram. We find the APOGEE DR17-derived [Fe/H] values to be in good agreement with those from previous high-resolution spectroscopic open cluster abundance studies. Using a subset of the high-quality sample, the Galactic abundance gradients were measured for 16 chemical elements, including [Fe/H], for both Galactocentric radius ($R$ GC ) and guiding center radius ($R$ guide ). We find an overall Galactic [Fe/H] versus RGC gradient of -0.073 ± 0.002 dex kpc -1 over the range of 6 > $R$ GC < 11.5 kpc, and a similar gradient is found for [Fe/H] versus $R$ guide . Significant Galactic abundance gradients are also noted for O, Mg, S, Ca, Mn, Na, Al, K, and Ce. Our large sample additionally allows us to explore the evolution of the gradients in four age bins for the remaining 15 elements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Characterization of Hanford LAW Phase 3 Glasses

This report provides analyses of glass compositions, wash solution compositions, and Product Consistency Test (PCT) leachate compositions for a series of simulated low-activity waste (LAW) glasses fabricated at the Pacific Northwest National Laboratory (PNNL). These data will be used in the development of improved property/composition models for LAW glass at Hanford. Chemical analyses were performed on a representative sample of each of the quenched and sulfur saturated glasses to allow for comparisons with the targeted compositions. For some of the quenched glasses, measured concentrations of Cr₂O₃, K₂O, Na₂O, P₂O₅, and ZrO₂ were below the targeted values. For some of the sulfur saturated glasses, the measured concentrations of Al₂O₃, Cl⁻, Cr₂O₃, F⁻, K₂O, Na₂O, P₂O₅, V₂O₅, and ZrO₂ were generally low relative to the targeted values. A comparison of the measured compositions of the quenched and sulfur saturated versions of the study glasses showed that the measured concentrations of Al₂O₃, Cl⁻, and F⁻ were lower for most of the sulfur saturated glasses. The measured Cr₂O₃ and K₂O concentrations were markedly lower for the sulfur saturated versions of the glasses as compared to the quenched versions, which may indicate that these elements partitioned to the soluble sulfur salts. A set of modified glasses was received from PNNL later in this study. Chemical analysis showed that these glasses generally met their targeted compositions. The measured SO₃ concentrations were higher for most of the sulfur saturated glasses relative to those of the quenched versions, as expected. Chemical analysis of the wash solutions that resulted from preparation of the sulfur saturated melts identified Cr, K, Na, P, S, and V as the major elements in solution. With the exception of sulfur, this may explain why the measured concentrations of these components in the study glasses were generally below the targeted values. PNNL performed PCTs on quenched and canister centerline cooled (CCC) versions of the study glasses, as well as the modified glasses. The leachates were sent to SRNL for chemical analysis. Minor scatter in the measured values among the triplicate samples for each glass was noted. Several of the study glasses, both quenched and CCC, have NCi values that are greater than the immobilized LAW constraint of 4 g/L for B, Na, and Si.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Colloidal State Machines as Smart Tracers for Chemical Reactor Analysis

A widely utilized tool in reactor analysis is passive tracers that report the residence time distribution, allowing estimation of the conversion and other properties of the system. Recently, advances in microrobotics have introduced powered and functional entities with sizes comparable to some traditional tracers. This has motivated the concept of Smart Tracers that could record the local chemical concentrations, temperature, or other conditions as they progress through reactors. Herein, the design constraints and advantages of Smart Tracers by simulating their operation in a laminar flow reactor model conducting chemical reactions of various orders are analyzed. It is noted that far fewer particles are necessary to completely map even the most complex concentration gradients compared with their conventional counterparts. Design criteria explored herein include sampling frequency, memory storage capacity, and ensemble number necessary to achieve the required accuracy to inform a reactor model. Cases of severe particle diffusion and sensor noise appear to bind the functional upper limit of such probes and require consideration for future design. The results of the study provide a starting framework for applying the new technology of microrobotics to the broad and impactful set of problems classified as chemical reactor analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A comprehensive chemical abundance analysis of the extremely metal poor Leoncino Dwarf galaxy (AGC 198691)

ABSTRACT We re-examine the extremely metal-poor dwarf galaxy AGC 198691 using a high quality spectrum obtained by the LBT’s MODS instrument. Previous spectral observations obtained from KOSMOS on the Mayall 4-m and the Blue channel spectrograph on the MMT 6.5-m telescope did not allow for the determination of sulfur, argon, or helium abundances. We report an updated and full chemical abundance analysis for AGC 198691, including confirmation of the extremely low “direct” oxygen abundance with a value of 12 + log (O/H) = 7.06 ± 0.03. AGC 198691’s low metallicity potentially makes it a high value target for helping determine the primordial helium abundance (Yp). Though complicated by a Na i night sky line partially overlaying the He i λ5876 emission line, the LBT/MODS spectrum proved adequate for determining AGC 198691’s helium abundance. We employ the recently expanded and improved model of Aver et al., incorporating higher Balmer and Paschen lines, augmented by the observation of the infrared helium emission line He i λ10830 obtained by Hsyu et al. Applying our full model produced a reliable helium abundance determination, consistent with the expectation for its metallicity. Although this is the lowest metallicity object with a detailed helium abundance, unfortunately, due to its faintness [EW(Hβ) < 100 Å] and the compromised He i λ5876, the resultant uncertainty on the helium abundance is too large to allow a significant improvement on the measurement of Yp.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1971

Automated Drug Identification for Urban Hospitals

Many urban hospitals are becoming overloaded with drug abuse cases requiring chemical analysis for identification of drugs. In this paper, the requirements for chemical analysis of body fluids for drugs are determined and a system model for automated drug analysis is selected. The system as modeled, would perform chemical preparation of samples, gas-liquid chromatographic separation of drugs in the chemically prepared samples, infrared spectrophotometric analysis of the drugs, and would utilize automatic data processing and control for drug identification. Requirements of cost, maintainability, reliability, flexibility, and operability are considered.

Shirley, Donna L.↗
DOE OSTI2022

The Critical Role of Process Analysis in Chemical Recycling and Upcycling of Waste Plastics

There is an urgent need for new technologies to enable circularity for synthetic polymers, spurred by the accumulation of waste plastics in landfills and the environment and the contributions of plastics manufacturing to climate change. Chemical recycling is a promising means to convert waste plastics into molecular intermediates that can be remanufactured into new products. Given the growing interest in the development of new chemical recycling approaches, it is critical to evaluate the economics, energy use, greenhouse gas emissions, and other life cycle inventory metrics for emerging processes, relative to the incumbent, linear manufacturing practices employed today. Here we offer specific definitions for classes of chemical recycling and upcycling and describe general process concepts for the chemical recycling of mixed plastics waste. We present a framework for techno-economic analysis and life cycle assessment for both closed- and open-loop chemical recycling. Rigorous application of these process analysis tools will be required to enable impactful solutions for the plastics waste problem.

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

HPTLC Analysis and Chemical Composition of Selected Melaleuca Essential Oils

Tea tree oil (TTO) is a volatile essential oil obtained by distillation, mainly from the Australian native plant Melaleuca alternifolia (Maiden & Betche) Cheel (Myrtaceae). In this study, a comparative analysis of the chemical constituents of seven tea tree oils (M. alternifolia) and four other Melaleuca spp. oils (M. cajuputi, (M Ca ), two chemotypes of M. quinquenervia, (M Ne and M Ni ), and M. ericifolia (M Ro )) was carried out using gas chromatography–mass spectrometry (GC-MS) and high-performance thin-layer chromatography (HPTLC). Among the seven TTOs, terpinen-4-ol (37.66–44.28%), γ-terpinene (16.42–20.75%), α-terpinene (3.47–12.62%), α-terpineol (3.11–4.66%), and terpinolene (2.75–4.19%) were the most abundant compounds. On the other hand, the most abundant compounds of the other Melaleuca oils varied, such as 1,8-cineole (64.63%) in M Ca oil, (E)-nerolidol (48.40%) and linalool (33.30%) in M Ne oil, 1,8-cineole (52.20%) in M Ni oil, and linalool (38.19%) and 1,8-cineole (27.57%) in M Ro oil. HPTLC fingerprinting of Melaleuca oils enabled the discrimination of TTO oils from other Melaleuca spp. oils. Variation was observed in the profile of the R f values among EOs. The present study shows that HPTLC is one of the best ways to identify and evaluate the quality control in authenticating TTOs, other Melaleuca EOs, or EOs from other species within the Myrtaceae.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Identification of combustion mode under MILD conditions using Chemical Explosive Mode Analysis

Direct Numerical Simulations (DNS) data of Moderate or Intense Low-oxygen Dilution (MILD) combustion are analysed in this paper to identify the contributions of the autoignition and flame modes. This is performed using an extended Chemical Explosive Mode Analysis (CEMA) which accounts for diffusion effects allowing it to discriminate between deflagration and autoignition. This analysis indicates that in premixed MILD combustion conditions, the main combustion mode is ignition for all dilution and turbulence levels and for the two reactant temperature conditions considered. In non-premixed conditions, the preponderance of the ignition mode was observed to depend on the axial location and mixture fraction stratification. With a large mixture fraction lengthscale, ignition is more preponderant in the early part of the domain while the deflagrative mode increases further downstream. On the other hand, when the mixture fraction lengthscale is small, sequential autoignition is observed. Finally, the various combustion modes are observed to correlate strongly with mixture fraction where lean mixtures are more likely to autoignite while stoichiometric and rich mixtures are more likely to react as deflagrative structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Analysis of Chemical, REP, and SEP missions to the Trojan asteroids

Recent studies suggest significant benefits from using 1st and 2nd generation Radioisotope Power Systems (RPS) as a power source for electric propulsion (EP) missions to the outer planets. This study focuses on trajectories to the Trojan asteroids. A high level analysis is performed with chemical trajectories to determine potential canidates for REP trajectory optimization. Extensive analysis of direct trajectories using REP is performed on these candidates. Solar Electric Propulsion (SEP) trajectories are also considered for comparison against REP trajectories.

Trojan asteroids↗
DOE OSTI2021

Techno-Economic Analysis of Chemical Precipitation Followed by Low Hydraulic Residence Time Biological Treatment, Including Ultrafiltration

This National Energy Technology Laboratory (NETL) analysis is a techno-economic evaluation of chemical precipitation followed by low hydraulic residence time biological treatment, which was identified as Best Available Technology for treatment and control of selenium emissions from wet flue gas desulfurization wastewater streams.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Tutorial on Chemical Pressure Analysis: How Atomic Packing Drives Laves/Zintl Intergrowth in K3Au5Tl

The tight atomic packing generally exhibited by alloys and intermetallics can create the impression of their being composed of hard spheres arranged to maximize their density. As such, the atomic size factor has historically been central to explanations of the structural chemistry of these systems. However, the role atomic size plays structurally has traditionally been inferred from empirical considerations. The recently developed DFT-Chemical Pressure (CP) analysis has opened a path to investigating these effects with theory. In this article, we provide a step-by-step tutorial on the DFT-CP method for non-specialists, along with advances in the approach that broaden its applicability. A new version of the CP software package is introduced, which features an interactive system that guides the user in preparing the necessary electronic structure data and generating the CP scheme, with the results being readily visualized with a web browser (and easily incorporated into websites). For demonstration purposes, we investigate the origins of the crystal structure of K3Au5Tl, which represents an intergrowth of Laves and Zintl phase domains. Here, CP analysis reveals that the intergrowth is supported by complementary CP features of NaTl-type KTl and MgCu2-type KAu2 phases. In this way, K3Au5Tl exemplifies how CP effects can drive the merging for geometrical motifs derived from different families of intermetallics through a mechanism referred to as epitaxial stabilization.

36 MATERIALS SCIENCE↗