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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 OSTI2021

Prediction of Reactive Nitrous Acid Formation in Rare‐Earth MOFs via ab initio Molecular Dynamics

Abstract Reactive gas formation in pores of metal–organic frameworks (MOFs) is a known mechanism of framework destruction; understanding those mechanisms for future durability design is key to next generation adsorbents. Herein, an extensive set of ab initio molecular dynamics (AIMD) simulations are used for the first time to predict competitive adsorption of mixed acid gases (NO 2 and H 2 O) and the in‐pore reaction mechanisms for a series of rare earth (RE)‐DOBDC MOFs. Spontaneous formation of nitrous acid (HONO) is identified as a result of deprotonation of the MOF organic linker, DOBDC. The unique DOBDC coordination to the metal clusters allows for proton transfer from the linker to the NO 2 without the presence of H 2 O and may be a factor in DOBDC MOF durability. This is a previously unreported mechanisms of HONO formation in MOFs. With the presented methodology, prediction of future gas interactions in new nanoporous materials can be achieved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Rare gas record in the largest Apollo 15 rock.

The results obtained from mass-spectrometry analyses of the noble gases He, Ne, Ar, Kr, and Xe in a 182-mg chip of the largest Apollo 15 rock 15555 are presented. The spallation krypton data indicate a well-shielded location through most of the time during which the rock was exposed to cosmic rays. Gas retention ages are estimated. No evidence for the presence of products from plutonium-244 or iodine-129 was found.

Marti, K.↗
NASA NTRS1985

Iron and sulfur in the pre-biologic ocean

Tentative geochemical cycles for the pre-biologic Earth are developed by comparing the relative fluxes of oxygen, dissolved iron, and sulfide to the atmosphere and ocean. The flux of iron is found to exceed both the oxygen and the sulfide fluxes. Because of the insolubility of iron oxides and sulfides the implication is that dissolved iron was fairly abundant and that oxygen and sulfide were rare in the atmosphere and ocean. Sulfate, produced by the oxidation of volcanogenic sulfur gases, was the most abundant sulfur species in the ocean, but its concentration was low by modern standards because of the absence of the river-borne flux of dissolved sulfate produced by oxidative weathering of the continents. These findings are consistent with the geologic record of the isotopic composition of sedimentary sulfates and sulfides. Except in restricted environments, the sulfur metabolism of the earliest organisms probably involved oxidized sulfur species not sulfide.

Review↗
NASA NTRS2017

Airborne Measurements of Western U.S. Wildfire Emissions: Comparison with Prescribed Burning and Air Quality Implications

Wildfires emit significant amounts of pollutants that degrade air quality. Plumes from three wildfires in the western U.S. were measured from aircraft during the Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) and the Biomass Burning Observation Project (BBOP), both in summer 2013. This study reports an extensive set of emission factors (EFs) for over 80 gases and 5 components of submicron particulate matter (PM1) from these temperate wildfires. These include rarely, or never before, measured oxygenated volatile organic compounds and multifunctional organic nitrates. The observed EFs are compared with previous measurements of temperate wildfires, boreal forest fires, and temperate prescribed fires. The wildfires emitted high amounts of PM1 (with organic aerosol (OA) dominating the mass) with an average EF that is more than 2 times the EFs for prescribed fires. The measured EFs were used to estimate the annual wildfire emissions of carbon monoxide, nitrogen oxides, total non methane organic compounds, and PM1 from 11 western U.S. states. The estimated gas emissions are generally comparable with the 2011 National Emissions Inventory (NEI). However, our PM1 emission estimate (1530 +/- 570 Gg/yr) is over 3 times that of the NEI PM2.5 estimate and is also higher than the PM2.5 emitted from all other sources in these states in the NEI. This study indicates that the source of OA from biomass burning in the western states is significantly underestimated. In addition, our results indicate that prescribed burning may be an effective method to reduce fine particle emissions.

measured oxygenated volatile organic compounds↗
DOE OSTI2025

Adsorption Studies of Dilute Krypton and Xenon from Nitrogen on SBMOF-1 and Activated Charcoal for Applications in Isotope Harvesting

Adsorptive partitioning of dilute krypton (Kr) and xenon (Xe) onto Stony Brook Metal–Organic Framework (SBMOF-1) and activated charcoal (AC) from carrier nitrogen was experimentally measured at temperatures ranging from 195 to 293 K. For this purpose, a closed-loop system for gas adsorption experiments was developed. From the Kr adsorption measurements, the adsorption equilibrium constant for Kr on SBMOF-1 was calculated, yielding a value for the enthalpy of adsorption of −19 ± 1 kJ·mol –1 . The partition coefficients were utilized to estimate the extraction rates of 76 Kr, 77 Kr, and 122 Xe isotopes during isotope harvesting at the Facility for Rare Isotope Beams (FRIB). We conclude that both materials showed promising results for the extraction of noble gases from FRIB effluents using temperature swing adsorption.

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

Tunable superconductivity and its origin at KTaO3 interfaces

Abstract What causes Cooper pairs to form in unconventional superconductors is often elusive because experimental signatures that connect to a specific pairing mechanism are rare. Here, we observe distinct dependences of the superconducting transition temperature T c on carrier density n 2D for electron gases formed at KTaO 3 (111), (001) and (110) interfaces. For the (111) interface, a remarkable linear dependence of T c on n 2D is observed over a range of nearly one order of magnitude. Further, our study of the dependence of superconductivity on gate electric fields reveals the role of the interface in mediating superconductivity. We find that the extreme sensitivity of superconductivity to crystallographic orientation can be explained by pairing via inter-orbital interactions induced by an inversion-breaking transverse optical phonon and quantum confinement. This mechanism is also consistent with the dependence of T c on n 2D . Our study may shed light on the pairing mechanism in other superconducting quantum paraelectrics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Anthropogenic aerosols mask increases in US rainfall by greenhouse gases

A comprehensive understanding of human-induced changes to rainfall is essential for water resource management and infrastructure design. However, at regional scales, existing detection and attribution studies are rarely able to conclusively identify human influence on precipitation. Here we show that anthropogenic aerosol and greenhouse gas (GHG) emissions are the primary drivers of precipitation change over the United States. GHG emissions increase mean and extreme precipitation from rain gauge measurements across all seasons, while the decadal-scale effect of global aerosol emissions decreases precipitation. Local aerosol emissions further offset GHG increases in the winter and spring but enhance rainfall during the summer and fall. Our results show that the conflicting literature on historical precipitation trends can be explained by offsetting aerosol and greenhouse gas signals. At the scale of the United States, individual climate models reproduce observed changes but cannot confidently determine whether a given anthropogenic agent has increased or decreased rainfall.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1972

Rare gas studies of the galactic cosmic ray irradiation history of lunar rocks.

Average irradiation depths and exposure ages of Tranquillity Base rocks are computed on the basis of eight analyses of the five noble gases in whole rock samples and lunar separates from lunar rocks, in conjunction with available literature data. Correlated variations in He-3/Ne-21 and Ar-38/Ne-21 reflect shielding differences. This correlation cannot be explained by diffusion losses, even though evidence for gas loss is obtained from mineral separate data. A qualitative shielding sequence is constructed which agrees reasonably well with the sequence based on Gd isotopic data.

Huneke, J. C.↗
NASA NTRS1987

Rare gas analysis of size fractions from the Fayetteville meteorite

Eight size separates of grains from the Fayetteville meteorite ranging from less than 20 microns to greater than 1 millimeter are being analyzed for their rare gas elemental and isotopic composition. Measurements on five samples were performed. All five reveal a mixture of solar, planetary, cosmic ray produced and radiogenic gases. The solar component is of particular interest since it suggest that the meteorite may represent a fragment of an ancient protoplanetary regolith which was exposed to the solar wind. Solar wind elements are implanted in the outer few hundred Angstroms of exposed grains and are therefore expected to be surface correlated. At present the data do not suggest that such a correlation exists, but the final conclusion must await further analyses and data reduction.

Jordan, Jim L.↗
NASA NTRS1987

Lunar and Planetary Science Conference, 17th, Houston, TX, Mar. 17-21, 1986, Proceedings. Part 2

The topics discussed in this volume include lunar endogenic rocks and processes; lunar regoliths and breccias; the terrestrial planets; shergottites; primitive materials, exposure, and atmospheres; and impacts and crater tectonics. Papers are presented on the petrology and geochemistry of alkali gabbronorites from lunar breccia 67975; the formation of Apollo 17 orange and black glass beads; mixing levels, the Apennine Front soil component, and compositional trends in the Apollo 15 soils; the meteorite component of Apollo 16 noritic impact melt breccias; and constraints on the lithospheric structure of Venus from mechanical models and tectonic surface features. Consideration is also given to a fractal interpretation of topography and geoid spectra on the earth, moon, Venus, and Mars; rare earth patterns in shergottite phosphates and residues; nuclide production by primary cosmic-ray protons; gas chromatographic instrumentation for the analysis of aerosols and gases in Titan's atmosphere; and finite-element models of non-Newtonian crater relaxation.

Ryder, Graham↗
NASA NTRS1990

An estimating formula for ion-atom association rates in gases

A simple estimating formula is derived for rate coefficients of three-body ion atom association in gases and compare its predictions to experimental data on ion association and three-body radiative charge transfer reactions of singly- and doubly-charged rare-gas ions. The formula appears to reproduce most experimental data quite well. It may be useful for estimating the rates of reactions that have not been studied in the laboratory.

Chatterjee, B. K.↗
NASA NTRS1972

The chemistry of neutral species in the D and E regions.

The photodissociation of molecular species such as oxygen, nitrogen, and water vapor in the upper atmosphere leads to the formation of a reservoir of chemical energy consisting of highly reactive atomic gases. The reactions of these with each other, and with the rest of the atmosphere, give a complex neutral chemistry involving many species and reactions. Local equilibrium can rarely be assumed for these reactions; transport by the horizontal and vertical mean flow, by eddy diffusion, and by molecular diffusion has quite different effects on the various constituents, depending on the time constants. The entire subject of the neutral chemistry in the D and E regions (between 50 and 160 km altitude) is reviewed, and related to existing experimental results. Needs for further research on the subject are indicated.

Bowhill, S. A.↗
NASA NTRS1994

Aerosol Effects on Radiation and Climate: Column Closure Experiments with Towers, Aircraft, and Satellites

Many theoretical studies have shown that anthropogenic aerosol particles can change the radiation balance in an atmospheric column and might thereby exert a significant effect on the Earth's climate. In particular, recent calculations have shown that sulfate particles from anthropogenic combustion may already exert a cooling influence on the Earth that partially offsets the warming caused by the greenhouse gases from the same combustion. Despite the potential climatic importance of anthropogenic aerosols, simultaneous measurements of anthropogenic aerosol properties and their effect on atmospheric radiation have been very rare. Successful comparisons of measured radiation fields with those calculated from aerosol measurements - now referred to as column closure comparisons - are required to improve the accuracy and credibility of climate predictions. This paper reviews the column closure experiment performed at the Mt. Sutro Tower in San Francisco in 1975, in which elevated radiometers measured the change in Earth-plus-atmosphere albedo caused by an aerosol layer, while a lidar, sunphotometer, nephelometer, and other radiometers measured properties of the responsible aerosol. The time-dependent albedo calculated from the measured aerosol properties agreed with that measured by the tower radiometers. Also presented are designs for future column closure studies using radiometers and aerosol instruments on the ground, aircraft, and satellites. These designs draw upon algorithms and experience developed in the Sutro Tower study, as well as more recent experience with current measurement and analysis capabilities.

Russell, Philip B.↗