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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Stationary premixed flames in spherical and cylindrical geometries

Stationary source-free spherical flames ('flame balls') in premixed combustible gases were studied by employing low-gravity (micro-g) environments in a drop tower and an aircraft flying parabolic trajectories to diminish the impact of buoyancy-induced convective flow. Flame balls were found in all mixture families tested when: (1) the Lewis number Le of the deficient reactant was sufficiently low; and (2) the compositions were sufficiently close to the flammability limits. Probably as a consequence of the reduction in buoyant convection, the flammability limits at micro-g were significantly more dilute than those at Earth gravity; for example, 3.35% H2 vs 4.0% H2 in lean H2-air mixtures. By comparison with analytical and computational models, it is inferred that the phenomenon is probably related to diffusive-thermal effects in low-Le mixtures in conjunction with flame-front curvature and radiative heat losses from the combustion products. The chemical reaction mechanism appears to play no qualitative role. In the aircraft experiments, the gravity levels (approximately equal 10(exp -2)g(sub 0)) were found to cause noticeable motion of flame balls due to buoyancy, which in turn influenced the behavior of flame balls. At these g levels, a new type of transient, nearly cylindrical flame structure, termed 'flame strings,' was observed.

Ronney, P. D.↗
NASA NTRS2011

Synthesis of Stacked-Cup Carbon Nanotubes in a Metal Free Low Temperature System

Stacked-cup carbon nanotubes were formed by either Fischer-Tropsch type or Haber Bosch type reactions in a metal free system. Graphite particles were used as the catalyst. The samples were heated at 600 C in a gas mixture of CO 75 Torr, N2 75 Torr and H2 550 Torr for three days. Trans mission electron microscope analysis of the catalyst surface at the completion of the experiment recognized the growth of nanotubes. They were 10-50 nm in diameter and approximately 1 micrometer in length. They had a hollow channel of 5-20 nm in the center. The nanotubes may have grown on graphite surfaces by the CO disproportionation reaction and the surface tension of the carbon nucleus may have determined the diameter. Although, generally, the diameter of a carbon nanotube depends on the size of the cataly1ic particles, the diameter of the nanotubes on graphite particles was independent of the particle size and significantly confined within a narrow range compared with that produced using catalytic amorphous iron-silicate nanoparticles. Therefore, they must have an unknown formation process that is different than the generally accepted mechanism.

Kimura, Yuki↗
NASA NTRS2014

Hydrogen-Bonding Surfaces for Ice Mitigation

Ice formation on aircraft, either on the ground or in-flight, is a major safety issue. While ground icing events occur predominantly during the winter months, in-flight icing can happen anytime during the year. The latter is more problematic since it could result in increased drag and loss of lift. Under a Phase I ARMD NARI Seedling Activity, coated aluminum surfaces possessing hydrogen-bonding groups were under investigation for mitigating ice formation. Hydroxyl and methyl terminated dimethylethoxysilanes were prepared via known chemistries and characterized by spectroscopic methods. These materials were subsequently used to coat aluminum surfaces. Surface compositions were based on pure hydroxyl and methyl terminated species as well as mixtures of the two. Coated surfaces were characterized by contact angle goniometry. Receding water contact angle data suggested several potential surfaces that may exhibit reduced ice adhesion. Qualitative icing experiments performed under representative environmental temperatures using supercooled distilled water delivered via spray coating were inconclusive. Molecular modeling studies suggested that chain mobility affected the interface between ice and the surface more than terminal group chemical composition. Chain mobility resulted from the creation of "pockets" of increased free volume for longer chains to occupy.

Smith, Joseph G., Jr.↗
NASA NTRS2020

The Effect of Europa and Enceladus Analog Seawater Composition on Isotopic Measurements of Volatile CO2

Science goals for icy ocean worlds missions include characterizing the chemical compositionof the surface and interior using remote sensing and in situ techniques. The next class of flightmass spectrometers for these missions will obtain compositional identifications and isotope ratiomeasurements of volatiles evolved from the ice surface (exosphere) and plumes. These massspectra will be combined with data from other flight instruments to infer the composition of theinterior from volatiles. To ensure accurate interpretation of these measurements, it is critical toverify whether the fundamental assumption that volatiles observed in icy ocean world exospheresor plumes will be a direct reflection of the sub-ice ocean. The present study evaluates whether isotopologues from an initial CO2 gas fractionate by interacting with seawater (brine) of varyingsalt composition and concentration. δ13CCO2 are affected by the pH of the brine and subsequentspeciation of {CO2}, where {CO2} represents the combination of CO2, H2CO3, HCO3-, and CO32-.{CO2} for low pH brines hypothesized for Europa will preferentially speciate as CO2. Analyzedδ13CCO2 for low pH brines are within error of the original δ13CCO2, demonstrating that volatile CO2in a low pH system will be a direct reflection of the original CO2. However, Europa’s radiativeenvironment and rapid depressurization due to plume ejection may impose fractionation effects.In contrast, high pH systems relevant to Enceladus or a more alkaline Europa are expected toform all carbonate species, while favoring speciation as HCO3-. High pH brines in theseexperiments include both an original CO2 gas and an isotopically distinct HCO3- (from NaHCO3salt). These alkaline experiments demonstrate that δ13CCO2 values are highly variable, and dependon the concentration of the dominant carbonate species, (Na)HCO3-. Mass balance estimatesindicate that measured δ13CCO2 is a thermodynamically predictable mixture of both carbonsources, suggesting that measurements of δ13C at Enceladus would directly reflect of the sourcesof CO2 and carbonate buffering in the ocean. δ18O measurements for CO2 interacting with KCland MgCl2 follow established models for δ18O-ionic strength. CO2 interacting with MgSO4,Na2SO4, and NaCl demonstrate an offset from established δ18O-ionic strength models dependingon the concentration of initial CO2. These results suggest that current predictive models for δ18Oin brines need to be resolved for changing concentrations of CO2

Ocean Worlds↗
NASA NTRS2022

Development of an Effective Finite-rate Oxidation Model for NuSil-coated Charred Carbon Preform Ablators

Recently, a detailed effective finite-rate surface chemistry model was developed for the oxidation of FiberForm [1] using the molecular beam experimental data of Poovathingal et al., [2]. FiberForm is the major building block of the thermal protection system (TPS) material Phenolic Impregnated Carbon Ablator (PICA), commonly used by NASA. The surface chemistry model consists of detailed surface reaction mechanisms such as adsorption, desorption, and several types of Langmuir-Hinshelwood (LH) reactions to characterize the oxygen-carbon interactions at the surface. This model provides excellent agreement with the experimental data for oxidation product compositions and corresponding translational energy distributions. Further, an effective oxidation model was constructed that captures the equivalent interaction of oxygen inside the microstructure (including multiple surface collisions) via a modified reactivity for a smooth wall boundary condition. This enables the use of this model directly into Computational Fluid Dynamics (CFD) codes and Material Response (MR) codes to accurately simulate the gas–surface interactions within FiberForm without using the detailed micro-structure. However, this effective model is valid only for the virgin FiberForm. As the TPS material undergoes ablation, the preform carbon burns and turns into char. In addition, PICA is also coated with a protective silicon coating called NuSil for the purpose of mitigating the spread of phenolic dust, and limit contamination during clean room operations. Fig. 1 shows a X-ray microtomography image of a charred NuSil-coated PICA. The NuSil layer introduces species containing silicon into the product mixture. Further, the reactivity of the carbon within the char layer is different from the virgin FiberForm as shown in Fig. 2. Recently a new set of molecular beam experiments were performed on this NuSil-coated TPS material [3] with the same type of oxygen beam used in the previous experiments. Using the latest experimental data, the previously developed effective model will be extended to account for the charred carbon as well as the NuSil coating. Finally, this new effective model with three phases – preform carbon, char, and NuSil; will be compared and validated against the experimental product compositions.

K Swaminathan Gopalan↗
NASA NTRS2011

Carbon Isotope Measurements of Experimentally-Derived Hydrothermal Mineral-Catalyzed Organic Products by Pyrolysis-Isotope Ratio Mass Spectrometry

We report results of experiments to measure the C isotope composition of mineral catalyzed organic compounds derived from high temperature and high pressure synthesis. These experiments make use of an innovative pyrolysis technique designed to extract and measure C isotopes. To date, our experiments have focused on the pyrolysis and C isotope ratio measurements of low-molecular weight intermediary hydrocarbons (organic acids and alcohols) and serve as a proof of concept for making C and H isotope measurements on more complicated mixtures of solid-phase hydrocarbons and intermediary products produced during high temperature and high pressure synthesis on mineral-catalyzed surfaces. The impetus for this work stems from recently reported observations of methane detected within the Martian atmosphere [1-4], coupled with evidence showing extensive water-rock interaction during Martian history [5-7]. Methane production on Mars could be the result of synthesis by mineral surface-catalyzed reduction of CO2 and/or CO by Fischer-Tropsch Type (FTT) reactions during serpentization reactions [8,9]. Others have conducted experimental studies to show that FTT reactions are plausible mechanisms for low-molecular weight hydrocarbon formation in hydrothermal systems at mid-ocean ridges [10-12]. Further, recent experiments by Fu et al. [13] focus on examining detailed C isotope measurements of hydrocarbons produced by surface-catalyzed mineral reactions. Work described in this paper details the experimental techniques used to measure intermediary organic reaction products (alcohols and organic acids).

Socki, Richard A.↗
NASA NTRS1971

Experiments in Jovian atmosphere.

A 1000 ml reaction vessel, fitted with a stopcock, two joints for the electrodes, and a connecting joint, was used in the investigation. The flask, which has a cold finger at the bottom, was filled with an equimolar mixture of anhydrous methane and ammonia. The electrodes were adjusted to provide a gap of about 0.8 cm between them so that the current flowing through the electrodes was about 0.5 mA and a continuous spark could be observed. The operation was continued for 20 hr. The analysis of the reaction products showed the formation of amino nitriles under the conditions of the investigation.

Chadha, M. S.↗
NASA NTRS1980

Experiments on the amplification of optical activity

Chemical mechanisms for the amplification of small, abiotically produced enantiomeric excesses leading to the complete stereo specificity of all biochemical reactions observed in the present-day biosphere are investigated quantitatively. Partial copolymerization of a mixture of R- and S-leucine or R- and S-valine N-carboxy anhydrides containing a known excess of one enantiomer was induced and the enantiomeric composition of the resulting oligomer was analyzed by gas chromatography. It is found that the 50% polymerization of leucine mixtures having excesses of 8 to 70% of either enantiomer leads to a significant enhancement of the enantiomeric excess of the polymer, accompanied by a corresponding decrease in the enantiomeric excess of the unpolymerized residue. On the other hand, 25-50% polymerization of valine mixtures is observed to result in polymers showing a decreased enantiomeric excess relative to the starting mixture and corresponding increases in those of the residue. Results of the leucine polymerization are interpreted as supporting the theory of steric interactions between the monomer and the helical structure of the polymer leading to the enrichment of one enantiomer, and possible mechanisms for the reverse stereospecificity observed in valine are discussed.

Blair, N. E.↗
DOE OSTI2019

Investigation of Sampling-Probe Distorted Temperature Fields with X-Ray Fluorescence Spectroscopy

Flame-sampling experiments, especially in conjunction with laminar low-pressure premixed flames, are routinely used in combustion chemistry studies to unravel the identities and quantities of key intermediates and their pathways. In many instances, however, an unambiguous interpretation of the experimental and modeling results is hampered by the uncertainties about the probe-induced, perturbed temperature profile. To overcome this limitation, two-dimensional perturbations of the temperature field caused by sampling probes with different geometries have been investigated using synchrotron-based X-ray fluorescence spectroscopy. In these experiments, which were performed at the 7-BM beamline of the Advanced Photon Source (APS) at the Argonne National Laboratory, a continuous beam of hard X-rays at 15 keV was used to excite krypton atoms that were added in a concentration of 5 vol.-% to the unburnt gas mixture and the resulting krypton fluorescence at 12.65 keV was subsequently collected. The highly spatially resolved signal was converted into the local flame temperature to obtain temperature fields at various burner-probe separations as functions of the distance to the burner surface and the radial distance from the centerline. Multiple measurements were performed with different probe geometries and because of the observed impact on the temperature profiles the results clearly revealed the need to specify the sampling probe design to enable quantitative and meaningful comparisons of modeling results with flame-sampled mole fraction data. (C) 2018 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Hansen, N.↗
NASA NTRS1985

Analysis of free zone electrophoresis of fixed erythrocytes performed in microgravity

A free fluid zone electrophoresis experiment was performed in the microgravity environment of Space Shuttle flight STS-3 (March 1983). The experiment was designed to confirm observations made on the Apollo-Soyuz mission of 1975 and to test the effect of high red blood cell (RBC) concentration on free fluid electrophoresis. Photographic documentation of cell zone progression in one-hour separations of mixtures of formaldehyde-fixed human and rabbit erythrocytes, which were subjected to a field of approximately 13 V/cm in low ionic strength buffer, was analyzed. One of two columns contained 2 x 10 to the 8th RBC/ml; (low concentration), and the other contained 1 x 10 to the 9th RBC/ml (high concentration). The observed and calculated leading edge displacements of the RBC in the two columns were in agreement, indicating the absence of unexpected effects of the reduced gravity environment. Post-flight analyses of the contents of the columns was not possible, and additional microgravity experiments are needed to evaluate the role of particle-particle interactions in concentrated suspensions undergoing electrophoresis.

Snyder, Robert S.↗
DOE OSTI2021

ZIF‐8 Membrane Permselectivity Modification by Manganese(II) Acetylacetonate Vapor Treatment

Vapor-phase treatment of ZIF-8 membranes with manganese(II) acetylacetonate (Mn(acac) 2 ) allows permselectivity tuning. Propylene/propane selectivity increases from 31 to 210 after the Mn(acac) 2 treatment at 165 °C for 30 min, while selectivities increase from 14.6 to 242 for H 2 /CH 4 , from 2.9 to 38 for CO 2 /CH 4 , from 2.4 to 29 for CO 2 /N 2 , and from 2.9 to 7.5 for O 2 /N 2 , after Mn(acac) 2 treatment at 175 °C for 30 min. Stable equimolar propylene/propane mixture selectivity of 165 at ambient temperature and 4 bar equimolar feed with a propylene flux of 8.3×10 −4 mol m −2 s −1 is established. Furthermore, a control experiment excludes thermal treatment alone causing these changes. XPS analysis reveals the presence of Mn(acac) 2 on the outer surface of the vapor-treated ZIF-8 membranes while no other changes are detectable by X-ray diffraction and infrared spectroscopy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Initial plant community responses to hardwood control treatments in restoration of remnant longleaf pine (Pinus palustris) woodlands

Changes in land use over the past century have contributed to substantial losses of longleaf pine (Pinus palustris) woodlands in the southeastern USA and replacement with higher density, mixed pine and hardwood stands that suppress understory development and limit application of prescribed fire. To increase understanding of limiting factors and identify potential approaches for restoring longleaf pine woodlands, we studied in this work initial availability of light and soil water and 2-year (2018–2019) plant community responses after controlling overstory hardwoods in five remnant longleaf pine woodlands having no evidence of previous agriculture at the Savannah River Site near Aiken, SC, USA. Seven hardwood control treatments and a non-treated check were compared in a randomized compete block experiment: cutting, cutting + shredding of logging residues, stem injection with imazapyr herbicide, cutting + basal spray with imazapyr herbicide, cutting + basal spray with triclopyr herbicide, cutting + directed foliar spray with a mixture of glyphosate and imazapyr herbicides, and cutting + broadcast foliar spray with the same herbicide mixture. In the year prior to hardwood cutting (2016), understory light availability averaged 23% of full sun. Throughout the year of treatment installation (2017), average soil water content (SWC) was below permanent wilting point (5.5% SWC) where overstory hardwoods were retained; whereas, it was above wilting point (7.5%) where they had been cut. Thus, combined effects of shade and root competition from overstory hardwoods probably limited cover of herbaceous species in the non-treated check. In the 2 years following treatment, hardwood survival averaged > 99%, 62%, 42% and < 1% for the non-treated check, cutting, shredding, and herbicide treatments, respectively. Relative to the non-treated check, herbaceous species richness was increased by shredding, stem injection, basal spray, or directed foliar treatments; herbaceous cover was increased by basal spray or directed foliar treatments; and woody cover was decreased by directed or broadcast foliar treatments. The directed foliar spray was the most effective treatment for achieving many of the desired understory characteristics of a longleaf pine woodland, including a diverse understory dominated by herbaceous vegetation capable of supporting periodic prescribed fires. Although the imazapyr basal spray treatment increased cover of remnant woodland indicator species, none of the treatments increased richness of this species group, suggesting that restoration of native species composition will be expedited by enrichment seedings or plantings.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

A novel high-temperature MAS probe with optimized temperature gradient across sample rotor for in-situ monitoring of high-temperature high-pressure chemical reactions

We present a novel nuclear magnetic resonance (NMR) probe design focused on optimizing the temperature gradient across the sample for high temperature magic angle spinning (MAS) experiments using standard rotors. Computational flow dynamics (CFD) simulations were used to assess and optimize the temperature gradient across the sample under MAS conditions. The chemical shift and linewidth of 207 Pb direct polarization in lead nitrate were used to calibrate the sample temperature and temperature gradient, respectively. A temperature gradient of less than 3 °C across the sample was obtained by heating bearing gas flows and adjusting its temperature and flow rate during variable temperature (VT) experiments. A maximum temperature of 350 °C was achieved in this probe using a Varian 5 mm MAS rotor with standard Vespel drive tips and end caps. Time-resolved 13 C and 1 H MAS NMR experiments were performed at 325 °C and 60 bar to monitor an in-situ mixed phase reverse water gas shift reaction, industrial synthesis of CH 3 OH from a mixture of CO 2 and H 2 with a Cu/ZnO/Al 2 O 3 catalyst, demonstrating the first in-situ NMR monitoring of a chemical system at temperatures higher than 250 °C in a pressurized environment. Lastly, the combination of this high-temperature probe and high-pressure rotors will allow for in-situ NMR studies of a great variety of chemical reactions that are inaccessible to conventional NMR setup.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Uncovering Highly-Excited State Mixing in Acetone Using Ultrafast VUV Pulses and Coincidence Imaging Techniques

Here, understanding the ultrafast dynamics of highly-excited electronic states of small molecules is critical for a better understanding of atmospheric and astrophysical processes, as well as for designing coherent control strategies for manipulating chemical dynamics. In highly excited states, nonadiabatic coupling, electron-electron interactions, and the high density of states govern dynamics. However, these states are computationally and experimentally challenging to access. Fortunately, new sources of ultrafast vacuum ultraviolet pulses, in combination with electron-ion coincidence spectroscopies, provide new tools to unravel the complex electronic landscape. Here we report time-resolved photoelectron-photoion coincidence experiments using 8 eV pump photons to study the highly excited states of acetone. We uncover for the first time direct evidence that the resulting excited state consists of a mixture of both n y → 3p and π → π* character, which decays with a time constant of 330 fs. In the future, this approach can inform models of VUV photochemistry and aid in designing coherent control strategies for manipulating chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Probing Metal–Organic Framework Design for Adsorptive Natural Gas Purification

Parent and amine-functionalized analogues of metal–organic frameworks (MOFs), UiO-66(Zr), MIL-125(Ti), and MIL-101(Cr), were evaluated for their hydrogen sulfide (H 2 S) adsorption efficacy and post-exposure acid gas stability. Adsorption experiments were conducted through fixed-bed breakthrough studies utilizing multicomponent 1% H 2 S/99% CH 4 and 1% H 2 S/10% CO 2 /89% CH 4 natural gas simulant mixtures. Instability of MIL-101(Cr) materials after H 2 S exposure was discovered through powder X-ray diffraction and porosity measurements following adsorbent pelletization, whereas other materials retained their characteristic properties. Linker-based amine functionalities increased H 2 S breakthrough times and saturation capacities from their parent MOF analogues. Competitive CO 2 adsorption effects were mitigated in mesoporous MIL-101(Cr) and MIL-101–NH 2 (Cr), in comparison to microporous UiO-66(Zr) and MIL-125(Ti) frameworks. This result suggests that the installation of H 2 S binding sites in large-pore MOFs could potentially enhance H 2 S selectivity. In situ Fourier transform infrared measurements in 10% CO 2 and 5000 ppm H 2 S environments suggest that framework hydroxyl and amine moieties serve as H 2 S physisorption sites. In conclusion, results from this study elucidate design strategies and stability considerations for engineering MOFs in sour gas purification applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Realization of two-sublattice exchange physics in the triangular lattice compound Ba 3 Er(BO 3 ) 3

Geometric frustration commonly occurs in materials where magnetic rare-earth ions are arranged on a two-dimensional triangular lattice. These compounds have been gaining significant attention lately, as they hold the promise of revealing unique quantum states of matter. However, little attention has been devoted to cases where spin-$\frac{1}{2}$ rare-earth ions are substituted with ions exhibiting higher spin multiplicities. Here, we successfully synthesize high-quality single crystal samples of Ba 3 Er(BO 3 ) 3 , which is part of the family of triangular lattice compounds. In our experiments, conducted at extremely low temperatures (around 100 millikelvin), we observe two sublattice exchange interactions in Ba 3 Er(BO 3 ) 3 , resulting in the hexagonal lattice spins exhibiting a mixture of ferromagnetic and antiferromagnetic tendencies. Our theoretical analysis suggest that this behavior may be attributed to the distinct positions of magnetic ions within the crystal lattice. However, the presence of quantum effects adds an extra layer of complexity to our findings, calling for further exploration.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Image computing techniques to extrapolate data for dust tracking in case of an experimental accident simulation in a nuclear fusion plant

In this paper, a preliminary shadowgraph-based analysis of dust particles re-suspension due to loss of vacuum accident (LOVA) in ITER-like nuclear fusion reactors has been presented. Dust particles are produced through different mechanisms in nuclear fusion devices, one of the main issues is that dust particles are capable of being re-suspended in case of events such as LOVA. Shadowgraph is based on an expanded collimated beam of light emitted by a laser or a lamp that emits light transversely compared to the flow field direction. In the STARDUST facility, the dust moves in the flow, and it causes variations of refractive index that can be detected by using a CCD camera. The STARDUST fast camera setup allows to detect and to track dust particles moving in the vessel and then to obtain information about the velocity field of dust mobilized. In particular, the acquired images are processed such that per each frame the moving dust particles are detected by applying a background subtraction technique based on the mixture of Gaussian algorithm. The obtained foreground masks are eventually filtered with morphological operations. Finally, a multi-object tracking algorithm is used to track the detected particles along the experiment. For each particle, a Kalman filter-based tracker is applied; the particles dynamic is described by taking into account position, velocity, and acceleration as state variable. The results demonstrate that it is possible to obtain dust particles’ velocity field during LOVA by automatically processing the data obtained with the shadowgraph approach.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Coupled heat pulse propagation in two-fluid plasmas

Because of the large mass differences between electrons and ions, the heat diffusion in electron-ion plasmas exhibits more complex behavior than simple heat diffusion found in typical gas mixtures. In particular, heat is diffused in two distinct, but coupled, channels. Conventional single fluid models neglect the resulting complexity, and can often inaccurately interpret the results of heat pulse experiments. However, by recognizing the sensitivity of the electron temperature evolution to the ion diffusivity, not only can previous experiments be interpreted correctly, but informative simultaneous measurements can be made of both ion and electron heat channels.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗