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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Ga[OSi(O t Bu) 3 ] 3 ·THF, a thermolytic molecular precursor for high surface area gallium-containing silica materials of controlled dispersion and stoichiometry

The molecular precursor tris[(tri-tert-butoxy)siloxy]gallium, as the tetrahydrofuran adduct Ga[OSi(OtBu) 3 ] 3 ·THF (1), was synthesized via the salt metathesis reaction of gallium trichloride with NaOSi(OtBu) 3 . This complex serves as a model for isolated gallium in a silica framework. Complex 1 decomposes thermally in hydrocarbon solvent, eliminating isobutylene, water, and tert-butanol to generate high surface area gallium-containing silica at low temperatures. When thermal decomposition was performed in the presence of P-123 Pluronic as a templating agent the generated material displayed uniform vermicular pores. Textural mesoporosity was evident in untemplated material. Co-thermolysis of 1 with HOSi(OtBu) 3 in the presence of P-123 Pluronic led to materials with Ga:Si ratios ranging from 1:3 to 1:50, denoted UCB1-GaSi 3 , UCB1-GaSi 10 , UCB1-GaSi 20 and UCB1-GaSi 50 . After calcination at 500 °C these materials exhibited decreasing surface areas and broadening pore distributions with increasing silicon content, indicating a loss of template effects. The position and dispersion of the gallium in UCB1-GaSi materials was investigated using 71 Ga MAS-NMR, powder XRD, and STEM/EDS elemental mapping. The results indicate a high degree of gallium dispersion in all samples, with gallium oxide clusters or oligomers present at higher gallium content.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Transient behavior of supersonic flow through inlets

A solution technique to compute inlet flow behavior is presented. The phenomena of inlet unstart and restart are investigated using a flux-split procedure applied to the Euler and Reduced Navier Stokes (RNS) equations. A time consistent direct sparse matrix solver in conjunction with a domain decomposition strategy is applied to compute the transient flow behavior both internal and external to the inlet. Time varying shocks and time varying recirculation regions are efficiently analyzed. The code is quite general and is suitable for the computation of flow for a wide variety of geometries and over a wide range of Mach and Reynolds numbers.

Pordal, H. S.↗
NASA NTRS1990

Arcjet Nozzle Area Ratio Effects

An experimental investigation was conducted to determine the effect of nozzle area ratio on the operating characteristics and performance of a low power dc arcjet thruster. Conical thoriated tungsten nozzle inserts were tested in a modular laboratory arcjet thruster run on hydrogen/nitrogen mixtures simulating the decomposition products of hydrazine. The converging and diverging sides of the inserts had half angles of 30 and 20 degrees, respectively, similar to a flight type unit currently under development. The length of the diverging side was varied to change the area ratio. The nozzle inserts were run over a wide range of specific power. Current, voltage, mass flow rate, and thrust were monitored to provide accurate comparisons between tests. While small differences in performance were observed between the two nozzle inserts, it was determined that for each nozzle insert, arcjet performance improved with increasing nozzle area ratio to the highest area ratio tested and that the losses become very pronounced for area ratios below 50. These trends are somewhat different than those obtained in previous experimental and analytical studies of low Re number nozzles. It appears that arcjet performance can be enhanced via area ratio optimization.

Curran, Francis M.↗
NASA NTRS1990

Arcjet nozzle area ratio effects

An experimental investigation was conducted to determine the effect of nozzle area ratio on the operating characteristics and performance of a low power dc arcjet thruster. Conical thoriated tungsten nozzle inserts were tested in a modular laboratory arcjet thruster run on hydrogen/nitrogen mixtures simulating the decomposition products of hydrazine. The converging and diverging sides of the inserts had half angles of 30 and 20 degrees, respectively, similar to a flight type unit currently under development. The length of the diverging side was varied to change the area ratio. The nozzle inserts were run over a wide range of specific power. Current, voltage, mass flow rate, and thrust were monitored to provide accurate comparisons between tests. While small differences in performance were observed between the two nozzle inserts, it was determined that for each nozzle insert, arcjet performance improved with increasing nozzle area ratio to the highest area ratio tested and that the losses become very pronounced for area ratios below 50. These trends are somewhat different than those obtained in previous experimental and analytical studies of low Re number nozzles. It appears that arcjet performance can be enhanced via area ratio optimization.

Curran, Francis M.↗
NASA NTRS1996

Analysis of Subgrid Eddy Diffusivity in Turbulence Using Direct Numerical Simulation Databases

Direct numerical simulation data in isotropic turbulence at Taylor-scale Reynolds number 90 are used to compute subgrid transfer and spectral eddy diffusivities for passive scalars at Schmidt numbers 1 and 1/8. The results are consistent with spectral transfer processes dominated by a local forward cascade in wavenumber space which is a consequence of moderately nonlocal interactions in the scalar fields. Data decompositions show that resolvable-subgrid interactions make (in general) substantially stronger contributions than fully-subgrid interactions to the eddy diffusivity, which has a non-negligible inverse cascade, or backscatter, component. The eddy diffusivity has a strong cusp at wavenumbers close to the cutoff value separating resolvable and subgrid ranges. At low wavenumbers the eddy diffusivity is generally small, but there the details depend on Schmidt number. The behavior of the subgrid turbulent Schmidt number (the ratio of effective eddy viscosity to eddy diffusivity) is observed to depend strongly on Schmidt number. In interpreting the results at a given spectral cutoff it is important to note that the spectrum of less diffusive scalars (of higher Schmidt number) has more high-wavenumber content.

Yeung, P. K.↗
NASA NTRS2013

Antarctica, Greenland and Gulf of Alaska Land-ice Evolution from an Iterated GRACE Global Mascon Solution

We have determined the ice mass evolution of the Antarctica and Greenland ice sheets (AIS and GIS) and Gulf of Alaska (GOA) glaciers from a new GRACE global solution of equal-area surface mass concentration parcels (mascons) in equivalent height of water. The mascons were estimated directly from the reduction of the inter-satellite K-band range-rate (KBRR) observations, taking into account the full noise covariance, and formally iterating the solution. The new solution increases signal recovery while reducing the GRACE KBRR observation residuals. The mascons were estimated with 10 day and 1 arc degree equal-area sampling, applying anisotropic constraints. An ensemble empirical mode decomposition adaptive filter was applied to the mascon time series to compute annual mass balances. The details and causes of the spatial and temporal variability of the land-ice regions studied are discussed. The estimated mass trend over the total GIS, AIS and GOA glaciers for the time period 1 December 2003 to 1 December 2010 is -380 plus or minus 31 Gt a(exp -1), equivalent to -1.05 plus or minus 0.09 mma(exp -1) sea-level rise. Over the same time period we estimate the mass acceleration to be -41 plus or minus 27 Gt a(exp -2), equivalent to a 0.11 plus or minus 0.08 mm a(exp -2) rate of change in sea level. The trends and accelerations are dependent on significant seasonal and annual balance anomalies.

MASCON↗
DOE OSTI2015

Plasmoid Instabilities Mediated Three-Dimensional Magnetohydrodynamic Turbulent Reconnection

After some introductory remarks on fast reconnection in resistive MHD due to plasmoid instability, oblique tearing modes in 3D, and previous studies on 3D turbulent reconnection, the subject is presented under the following topics: 3D simulation setup, time evolution of the 3D simulation, comparison with Sweet-Parker and 2D plasmoid reconnection, and diagnostics of the turbulent state (decomposition of mean fields and fluctuations, power spectra of energy fluctuations, structure function and eddy anisotropy with respect to local magnetic field). Three primary conclusions were reached: (1) The results suggest that 3D plasmoid instabilities can lead to self-generated turbulent reconnection (evidence of energy cascade and development of inertial range, energy fluctuations preferentially align with the local magnetic field, which is one of the characteristics of MHD turbulence); (2) The turbulence is highly inhomogeneous, due to the presence of magnetic shear and outflow jets (conventional MHD turbulence theories or phenomenologies may not be applicable – e.g. scale-dependent anisotropy as predicted by Goldreich & Sridhar is not found); (3) 3D turbulent reconnection is different from 2D plasmoid-dominated reconnection in many aspects. However, in fully developed state, reconnection rates in 2D and 3D are comparable — this result needs to be further checked in higher S.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

A construction of Ag-modified raspberry-like AgCl/Ag2WO4 with excellent visible-light photocatalytic property and stability

Highlights: • The Ag-modified raspberry-like AgCl/Ag{sub 2}WO{sub 4} photocatalysts were prepared by a facile solvent-free method. • Ag and AgCl were easily deposited on the Ag{sub 2}WO{sub 4} by one-step solid-sate reaction between Ag{sub 2}WO{sub 4} and HONH{sub 3}Cl. • The morphology of raspberry-like can facilitate the contact of dye molecules and composite photocatalysts. • The photocatalysts exhibit an effective separation of the photoinduced electron-hole pairs. • The photocatalysts show excellent photocatalytic activity and photo-stability under visible light irradiation. - Abstract: A novel multiphase photocatalyst of Ag-modified raspberry-like AgCl/Ag{sub 2}WO{sub 4} composite was successfully fabricated via a facile solvent-free reaction technique, in which the Ag and AgCl were subtlely generated from the one-step reaction between Ag{sub 2}WO{sub 4} particles and HONH{sub 3}Cl as reductant and chlorine source at room temperature. The as-obtained ternary Ag-modified raspberry-like AgCl/Ag{sub 2}WO{sub 4} composites can facilitate the contact of dye molecules and photocatalysts, exhibiting superior photocatalytic property and good recycling ability towards the decomposition of organic dye under the visible-light irradiation. The reductant addition amounts greatly affect the performance of Ag{sub 2}WO{sub 4} photocatalyst. The optimum composite ratio of Ag-modified AgCl/Ag{sub 2}WO{sub 4} samples show significant enhancement of visible-light photocatalytic activities and the degradation rate constant is about 16 times greater than that of pure Ag{sub 2}WO{sub 4}. The highly improved performance of Ag-modified raspberry-like AgCl/Ag{sub 2}WO{sub 4} structure can be ascribed to the surface plasma resonance (SPR) effects of metal Ag and the synergistic effect among composites, accordingly effectively promote the separation of photoinduced electron-hole pairs, widen the absorbance range in the visible light and increase surface area. The h{sup +} and ·OH degraded mechanism for the improved photocatalytic activity of Ag-modified AgCl/Ag{sub 2}WO{sub 4} is proposed based on radical-trapping experiments and ESR spectra records.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Thermal decomposition of CH{sub 3}CHO studied by matrix infrared spectroscopy and photoionization mass spectroscopy

A heated SiC microtubular reactor has been used to decompose acetaldehyde and its isotopomers (CH{sub 3}CDO, CD{sub 3}CHO, and CD{sub 3}CDO). The pyrolysis experiments are carried out by passing a dilute mixture of acetaldehyde (roughly 0.1%-1%) entrained in a stream of a buffer gas (either He or Ar) through a heated SiC reactor that is 2-3 cm long and 1 mm in diameter. Typical pressures in the reactor are 50-200 Torr with the SiC tube wall temperature in the range 1200-1900 K. Characteristic residence times in the reactor are 50-200 {mu}s after which the gas mixture emerges as a skimmed molecular beam at a pressure of approximately 10 {mu}Torr. The reactor has been modified so that both pulsed and continuous modes can be studied, and results from both flow regimes are presented. Using various detection methods (Fourier transform infrared spectroscopy and both fixed wavelength and tunable synchrotron radiation photoionization mass spectrometry), a number of products formed at early pyrolysis times (roughly 100-200 {mu}s) are identified: H, H{sub 2}, CH{sub 3}, CO, CH{sub 2}=CHOH, HC{identical_to}CH, H{sub 2}O, and CH{sub 2}=C=O; trace quantities of other species are also observed in some of the experiments. Pyrolysis of rare isotopomers of acetaldehyde produces characteristic isotopic signatures in the reaction products, which offers insight into reaction mechanisms that occur in the reactor. In particular, while the principal unimolecular processes appear to be radical decomposition CH{sub 3}CHO (+M) {yields} CH{sub 3}+ H + CO and isomerization of acetaldehyde to vinyl alcohol, it appears that the CH{sub 2}CO and HCCH are formed (perhaps exclusively) by bimolecular reactions, especially those involving hydrogen atom attacks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Monte Carlo simulations of surface reactions: NO reduction by CO or H{sub 2}

The development of surface science has given an opportunity to investigate the process of heterogeneous catalysis at a molecular level. In this way there has been a great progress in understanding the mechanism in NO decomposition. Modeling has been an very important tool in this goal. In this work we analyze the reactions NO+H{sub 2} and NO+CO. The extremely narrow production peak of N{sub 2} and CO{sub 2} which occurs in the reaction of NO+CO on Pt(100), a phenomenon known as “surface explosion,” is studied using a dynamic Monte Carlo method on a square lattice at low pressure under isothermal conditions. The catalytic reduction of nitric oxide by hydrogen over a Pt surface is also studied by using a dynamic Monte Carlo. Using a Langmuir-Hinshelwod mechanism of reaction, a simplified model with only four adsorbed species (NO, H, O, and N) is constructed. The effect on NO dissociation rate, the limiting step in the whole reaction, is inhibited by coadsorbed NO and H{sub 2} molecules, and is enhanced both by the presence of empty sites and adsorbed N atoms as nearest-neighbors. In these simulations experimental parameters values are included, such as: adsorption, desorption and diffusion of the reactants. The phenomenon is studied changing the temperature in the range of 300–550 K. The modeling reproduces well observed TPD and TPR experimental results and allows a visualization of the spatial development of the surface explosion.

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

Partial-wave decomposition of the Keldysh ionization amplitude

We present an alternative way of calculating the Keldysh amplitude, i.e., the length-gauge form of the ionization amplitude in the strong-field approximation. The amplitude is evaluated exactly by expanding it in Fourier components and partial waves. Comparisons of the semianalytic model predictions with results of ab initio numerical simulations of the time-dependent Schrödinger equation for the interaction of electrons in short-range potentials with intense laser light yield excellent agreement, for wavelengths from the single photon to the multiphoton to the tunneling regime. Specifically, for ionization from initial states with higher angular momentum quantum number, e.g., p states, a significant improvement over predictions based on the popular saddle-point approximation is found. Furthermore, the current model rate allows for interpretation of the strong-field ionization process in terms of multiphoton absorption pathways and angular momentum selection rules.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Resist! : Sustaining forest carbon sequestration and wood production after insect disturbance

Disturbances from insect pests threaten ecologically and economically important goods and services supplied by forests, including wood production and carbon sequestration. We highlight the factors that influence these services’ resistance, a term quantifying the initial response to disturbance. Insects inflict damage through a range of mechanisms, prompting distinct plant physiological responses that scale to influence ecosystem processes and, with time, goods and services. The degree and timing of tree mortality and defoliation affect the amount of residual vegetation available to support compensatory wood production and influence carbon sequestration by changing rates of detritus-fueled decomposition. Compounding, or sequential, insect attacks may prime a forest for additional disturbance, further eroding wood production and carbon sequestration. Forest management practices that promote biological and structural diversity, and augment or retain limiting biological and nutrient resources, may buffer against the effects of insect pests on wood production and carbon sequestration.

Gough, Christopher M. [Virginia Commonwealth Univ.↗
DOE OSTI2022

Dissolved pyrogenic carbon leaching in soil: Effects of soil depth and pyrolysis temperature

We report Pyrogenic organic carbon (PyC) is found in soils as a heterogeneous mixture of thermally altered plant residues that range in their susceptibility to losses via mineralization, leaching, and erosion. Leaching of PyC as DOC (DPyC) within the soil profile is likely influenced by the chemical composition of solid PyC and the dominant soil processes and properties at a particular depth. Here we report the results of a 2-year laboratory decomposition and leaching study designed to investigate the interactive effects of pyrolysis temperature levels (no pyrolysis, 300 °C, and 450 °C) and soil depth (surface soil, 0–10 cm depth; subsurface soil, 50–70 cm depth) on losses of 13 C-labeled jack pine (Pinus banksiana) wood, wood pyrolyzed at 300 °C (PyC300) and wood pyrolyzed at 450 °C (PyC450) as dissolved organic carbon (DOC). Losses of wood and PyC in the 13 C- DOC pool were measured in leachates drained from soils once a month over the course of 1 year, and at one single leaching event after 2 years. We found that pyrolysis temperature levels interacted with time and soil depth to affect losses of wood and PyC as DOC throughout the 1-year incubation and leaching study, with greater DOC losses from wood in surface soil (0.73 ± 0.076% of added C) than in subsurface soil (0.40 ± 0.063% of added C) averaged across sampling time. Monthly DOC losses from PyC were not affected by soil depth. Cumulative data indicated a small contribution of wood (2.86 ± 0.07%), PyC300 (0.40 ± 0.04%), and PyC450 (0.16 ± 0.01%) to total DOC leached from soils. DOC losses from wood and PyC300 (as a proportion of added C) were greater in surface soil than in subsurface soil, whereas DOC losses from PyC450 were unaffected by differences between surface and subsurface soil. Losses of DOC were greater from PyC300 than from PyC450 in surface soil, with no significant differences in DOC losses between PyC300 and PyC450 in subsurface soil. One single leaching event at the end of the 2-year decomposition study resulted in higher DOC losses from wood in subsurface soil than in surface soil likely due to desorption, and no differences in DOC losses between PyC300 and PyC450 regardless of soil depth. Our results suggest strong interactions between the initial physicochemical composition of organic C inputs and soil properties (soil depth as a proxy) that control the mobility and transport of PyC and should be better represented in Earth system models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Exploring the activity of a novel Au/TiC(001) model catalyst towards CO and CO 2 hydrogenation

Small metallic nanoparticles supported on transition metal carbides exhibit an unexpected high activity towards a series of chemical reactions. In particular, the Au/TiC system has proven to be an excellent catalyst for SO 2 decomposition, thiophene hydrodesulfurization, O 2 and H 2 dissociation and the water gas shift reaction. Recent studies have shown that Au/TiC is a very good catalyst for the reverse water–gas shift (CO 2 + H 2 → CO + H 2 O) and CO 2 hydrogenation to methanol. The present work further expands the range of applicability of this novel type of systems by exploring the catalytic activity of Au/TiC towards the hydrogenation of CO or CO 2 with periodic density functional theory (DFT) calculations on model systems. Hydrogen dissociates easily on Au/TiC but direct hydrogenation of CO to methanol is hindered by very high activation barriers implying that, on this model catalyst, methanol production from CO 2 involves the hydrogenation of a HOCO-like intermediate. Thus, when dealing with mixtures of syngas (CO/CO 2 /H 2 /H 2 O), CO could be transformed into CO 2 through the water gas shift reaction with subsequent hydrogenation of CO 2 to methanol.

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

Comparative Techno-economic Analysis and Life Cycle Assessment of Producing High-Value Chemicals and Fuels from Waste Plastic via Conventional Pyrolysis and Thermal Oxo-degradation

The rapid rise in global plastic production in recent decades has resulted in the massive generation of plastic waste. Over 75% of the plastic waste generated in the United States was sent to landfills, with a meager 8.7% recycled. Plastics are valuable feedstocks for platform chemicals and fuels. Chemical upcycling of waste high-density polyethylene (HDPE) is gaining more attention as a potentially feasible and environmentally friendly plastic waste management technology. Conventional pyrolysis (CPY) and thermal oxo-degradation (TOD) are two chemical upcycling technologies actively researched for decomposing waste HDPE into valuable chemicals and fuels. However, there are few studies on the techno-economic analysis (TEA) and life cycle assessment (LCA) of these technologies for converting waste HDPE to valuable products. This study conducts a comparative TEA and LCA study of the thermochemical decomposition of waste HDPE to produce gaseous (ethylene and propylene) and liquid (naphtha, diesel, and wax) products by CPY and TOD. The study elucidates and compares the impact of hydrocracking longer chain hydrocarbons to produce more valuable products on the TEA and LCA. The TEA showed that the fixed capital investment could range from $\$32.5$ million for TOD without hydrocracking to $\$244$ million for CPY with hydrocracking scenarios. Annual revenues range from $\$28.1$ million to $\$71.5$ million in favor of scenarios with hydrocracking. However, the net present value ranges from $\$1.4$ million to $\$265.8$ million in favor of scenarios without hydrocracking. Sensitivity analysis showed that fixed capital cost, facility capacity, and product prices have the biggest impact on the process economics of the facilities, while utilities and waste transportation to refineries have the biggest impact on environmental impacts. Here, the LCA showed that primary products from scenarios without hydrocracking can be more environmentally friendly than virgin products from petroleum processes. However, TOD and CPY with hydrocracking primary products have more emissions than those of virgin products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Formation of Reversible Solid Electrolyte Interface on Graphite Surface from Concentrated Electrolytes

Interfacial phenomena have always been key determinants for the performance of energy storage technologies. The solid electrolyte interfacial (SEI) layer, pervasive on the surfaces of battery electrodes for numerous chemical couples, directly affects the ion transport, charge transfer and lifespan of the entire energy system. Almost all SEI layers, however, are unstable resulting in the continuous consumption of the electrolyte. Typically, this leads to the accumulation of degradation products on/restructuring of the electrode surface and thus increased cell impedance, which largely limits the long-term operation of the electrochemical reactions. Herein, a completely new SEI formation mechanism has been discovered, in which the electrolyte components reversibly self-assemble into a protective surface coating on a graphite electrode upon changing the potential. In contrast to the established wisdom regarding the necessity of employing the solvent ethylene carbonate (EC) to form a protective SEI layer on graphite, a wide range of EC-free electrolytes are demonstrated for the reversible intercalation/deintercalation of Li+ cations within a graphite lattice, thereby providing tremendous flexibility in electrolyte tailoring for battery couples. This novel finding is broadly applicable and provides guidance for how to control interfacial reactions through the relationship between ion aggregation and solvent decomposition at polarized interfaces.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2025

Influence of functional additives, fillers, and pigments on thermal and catalytic pyrolysis of polyethylene for waste plastic upcycling

Pyrolysis offers a relatively green and economical method to convert waste plastics into valuable chemicals and fuels without the need for harmful solvents, toxic chemicals, or costly high-pressure reactors. Despite its popularity among chemical upcycling technologies, industrial adoption suffers from feedstock heterogeneity, low-quality products, and catalyst deactivation. Most plastics in our daily lives are formulated with functional additives, fillers, and colorants. These additives remaining in end-of-life waste streams increase feedstock heterogeneity, creating a challenging issue in recycling plastics. Still, the potential impacts of additives on the chemical upcycling of plastics have been poorly understood. In this study, polyethylene compounded with a range of widely used additives (antioxidants, stabilizers, pigments, fillers, slip agents, and flame retardants) was subjected to both thermal pyrolysis and catalytic pyrolysis in different catalyst-to-feedstock contact modes. It showed that many inorganic additives, such as talc, kaolin, CaCO 3 , TiO 2 , carbon black, and zinc stearate, facilitated polymer decomposition during pyrolysis, increasing light hydrocarbons while also promoting aromatic and carbon residue formation. Conversely, antioxidants and stabilizers inhibited depolymerization, favoring heavier hydrocarbons. During catalytic pyrolysis with HZSM-5 zeolite, additives strongly enhanced aromatic and catalytic coke formation, especially when there was direct contact between plastics and catalysts. Although certain additives seem beneficial in the short term by promoting polymer cracking and improving the selectivity of aromatics, the transport of the additives and their degradation products and increased carbon coking can contaminate products, deactivate or modify catalysts, and foul reactors. These findings address a critical knowledge gap in effectively converting waste plastics via a greener route.

42 ENGINEERING↗