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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 307 records · Page 17

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NASA NTRS2003

Uptake of Small Organic Compounds by Sulfuric Acid Aerosols: Dissolution and Reaction

To assess the role of oxygenated volatile organic compounds in the upper troposphere and lower stratosphere, the interactions of a series of small organic compounds with low-temperature aqueous sulfuric acid will be evaluated. The total amount of organic material which may be taken up from the gas phase by dissolution, surface layer formation, and reaction during the particle lifetime will be quantified. Our current results for acetaldehyde uptake on 40 - 80 wt% sulfuric acid solutions will be compared to those of methanol, formaldehyde, and acetone to investigate the relationships between chemical functionality and heterogeneous activity. Where possible, equilibrium uptake will be ascribed to component pathways (hydration, protonation, etc.) to facilitate evaluation of other species not yet studied in low temperature aqueous sulfuric acid.

Iraci, L. T.↗

NASA NTRS1972

Measurements of recombination of electrons with H3O(plus)-(H2O)n series ions

Recombination coefficients of electrons with ions of the hydrated hydronium ion series (H3O(+))(H2O)n, where n = 0, 1, 2, 3, 4, 5, 6, were determined with a microwave afterglow/mass spectrometer apparatus. Afterglow measurements of electron density decays in helium-water vapor mixtures are correlated with the decay of mass-identified ion currents to the wall of the microwave cavity. By varying the temperature of the gas and the partial pressure of the water vapor in the mixture, different groups of hydronium series ions are made to dominate the afterglow.

Leu, M. T.↗

NASA NTRS1973

Batteries for storage of wind-generated energy

Cost effectiveness characteristics of conventional-, metal gas-, and high energy alkali metal-batteries for wind generated energy storage are considered. A lead-acid battery with a power density of 20 to 30 watt/hours per pound is good for about 1500 charge-discharge cycles at a cost of about $80 per kilowatt hour. A zinc-chlorine battery that stores chlorine as solid chlorine hydrate at temperatures below 10 C eliminates the need to handle gaseous chlorine; its raw material cost are low and inexpensive carbon can be used for the chlorine electrode. This system has the best chance to replace lead-acid. Exotic alkali metal batteries are deemed too costly at the present stage of development.

Schwartz, H. J.↗

NASA NTRS1984

Project Explorer: Get Away Special #007

Tentatively scheduled to fly on STS-17 (41G), this get away special aims to demonstrate amateur radio transmissions to global ground stations in the English language. Experiments No. 1, 2, and 3 use the micro-gravity of space flight to study the solidification of lead-antimony and aluminum-copper alloys, the germination of radish seeds, and the growth of potassium-tetracyanoplatinate hydrate crystals in an aqueous solution. Flight results are to be compared with Earth-based data. Experiment No. 4 (the Marshall Amateur Radio Club Experiment - MARCE) features radio transmissions and also provides timing for the start of all other experiments. A microprocessor obtains real-time data from all experiments as well as temperature and pressure measurements within the GAS canister. These data are to be transmitted on previously announced amateur radio frequencies after they are converted into the English language by a digitalker for general reception. The support structure for the G #007 experiments consists of two primary plates and four bumper assemblies.

Henderson, A. J., Jr.↗

DOE OSTI2020

Water and vapor transport in algal‐fungal lichen: Modeling constrained by laboratory experiments, an application for Flavoparmelia caperata

ABSTRACT Algal‐fungal symbionts share water, nutrients, and gases via an architecture unique to lichens. Because lichen activity is controlled by moisture dynamics, understanding water transport is prerequisite to understand their fundamental biology. We propose a model of water distributions within foliose lichens governed by laws of fluid motion. Our model differentiates between water stored in symbionts, on extracellular surfaces, and in distinct morphological layers. We parameterize our model with hydraulic properties inverted from laboratory measurements of Flavoparmelia caperata and validate for wetting and drying. We ask: (1) Where is the bottleneck to water transport? (2) How do hydration and dehydration dynamics differ? and (3) What causes these differences? Resistance to vapor flow is concentrated at thallus surfaces and acts as the bottleneck for equilibrium, while internal resistances are small. The model captures hysteresis in hydration and desiccation, which are shown to be controlled by nonlinearities in hydraulic capacitance. Muting existing nonlinearities slowed drying and accelerated wetting, while exaggerating nonlinearities accelerated drying and slowed wetting. The hydraulic nonlinearity of F. caperata is considerable, which may reflect its preference for humid and stable environments. The model establishes the physical foundation for future investigations of transport of water, gas, and sugar between symbionts.

Potkay, Aaron↗

NASA NTRS2012

Measurement of Clathrate Hydrate Thermodynamic Stability in the Presence of Ammonia

There is a lack of data available for the stability of clathrate hydrates in the presence of ammonia for low-to-moderate pressures in the 0-10 MPa range. Providing such data will allow for a better understanding of natural mass transfer processes on celestial bodies like Titan and Enceladus, on which destabilization of clathrates may be responsible for replenishment of gases in the atmosphere. The experimental process utilizes a custom-built gas handling system (GHS) and a cryogenic calorimeter to allow for the efficient testing of samples under varying pressures and gas species.

clathrate hyudrates↗

NASA NTRS2024

Differential Absorption Lidar for Searching Water Sources on Mars

Water vapor has been detected in the Martian atmosphere by multiple orbiting instruments. The Atmospheric Chemistry Suite (ACS) on the ExoMars Trace Gas Orbiter (TGO) observed H2O mixing ratios reaching up to 50 ppmv at altitudes of 100-120 km during global dust storms, while levels remained low (<2 ppmv) during other seasons. The Neutral Gas and Ion Mass Spectrometer (NGIMS) on the Mars Atmosphere and Volatile EvolutioN (MAVEN) spacecraft revealed that water transported to the upper atmosphere is dissociated by ions, producing atomic hydrogen that escapes into space, contributing to Mars’ water loss. This transport is seasonal, peaking in southern summer and intensifying during dust storms. Additionally, the Mars Reconnaissance Orbiter’s (MRO) imaging spectrometer detected hydrated minerals on slopes, suggesting that liquid water may intermittently flow on present-day Mars. However, an observational gap exists between high-altitude water vapor and surface water due to limitations in spatial resolution and a lack of measurements in the lower atmosphere. To address this gap, we propose using an airborne differential absorption lidar (DIAL) to search for water sources. DIAL provides high-resolution measurements both day and night, bridging the observational gap between high-altitude water vapor and surface water, thus enhancing our understanding of water transport and loss on Mars. Absorption lines of water vapor in the 2.7 μm and 1.8 μm bands have been selected in this study. Simulations show that both lines are capable of detecting water vapor sources with reasonable system parameters.

lidar↗

NASA NTRSDate not supplied

Simulating Sulfate Aerosol Size in the Hunga Tonga Plume: Comparisons with Observations

Using the NASA GEOS Chemistry Climate Model (CCM) coupled to a detailed sectional aerosol microphysical model, we have simulated the January 2022 Hunga Tonga-Hunga Ha’apai (HTHH) plume. We have developed a version of the Global Modeling Initiative (GMI) chemistry mechanism to include the requisite sulfur chemistry and coupled it to the Community Aerosol and Radiation Model for Atmospheres (CARMA) sectional aerosol microphysics within the GEOS CCM. Our simulations focus on the lifecycle of stratospheric sulfur injected by the eruption–from the oxidation of the injected sulfur dioxide to the nucleation, growth, coagulation, hydration, and eventual settling of the volcanic sulfate aerosol particles. In order to constrain the simulated microphysics, we focus on comparing our model to observations with aerosol size information, namely in-situ particle counter observations and multi-wavelength satellite observations from OMPS-LP and SAGE-III. This eruption provides an interesting test case for our model; both the modeled gas-phase chemistry as well as the modeled aerosol microphysics are perturbed by the massive injection of water that accompanied the primary sulfur emissions from the eruption.

aerosols↗

DOE OSTI2021

Single-Use Destructive Assay for Uranium Hexafluoride Sampling

Sampling uranium hexafluoride (UF6) for the determination of enrichments by destructive analysis (DA) is a critical component in the International Atomic Energy Agency’s layered safeguards approach for uranium processing facilities. Typically, gram-quantity UF6 samples are collected during inspections and stored under tag-and-seal until transportation to an off-site analytical laboratory. The shipping times can be long, and evolving restrictions on radioactive/corrosive materials shipments may increasingly limit the IAEA’s ability to transport UF6 samples easily. Pacific Northwest National Laboratory has developed a low-cost UF6 sampling technology called Single-Use Destructive Assay (SUDA) that addresses these challenges, as well as provides DA sample geometries that can be tailored for different analytical methods, including potential on-site analyses. The SUDA samplers, along with a unique holder, are designed for direct attachment to existing taps at uranium processing facilities, allowing gaseous UF6 to come into direct contact with a zeolite film. The SUDA technology features the ability to capture uranium in a more easily shipped and handled form as the solid, more stable, and relatively less hazardous hydrated uranyl fluoride (UO2F2•nH2O), which is formed through the controlled hydrolysis of UF6. We have recently simulated uranium collection under enrichment plant sampling conditions to further improve our understanding of SUDA sampling. Presented here is our recent work on measuring the relationship between sampling conditions and uranium collection, which includes control of the uranium-mass-to-zeolite ratio and assessing variable UF6 gas and sampling parameters that can affect collection using the SUDA sampler.

Pope, Timothy R.↗

NASA NTRS1993

Viewpoint 9--molecular structure of aqueous interfaces

In this review we summarize recent progress in our understanding of the structure of aqueous interfaces emerging from molecular level computer simulations. It is emphasized that the presence of the interface induces specific structural effects which, in turn, influence a wide variety of phenomena occurring near the phase boundaries. At the liquid-vapor interface, the most probable orientations of a water molecule is such that its dipole moment lies parallel to the interface, one O-H bond points toward the vapor and the other O-H bond is directed toward the liquid. The orientational distributions are broad and slightly asymmetric, resulting in an excess dipole moment pointing toward the liquid. These structural preferences persist at interfaces between water and nonpolar liquids, indicating that the interactions between the two liquids in contact are weak. It was found that liquid-liquid interfaces are locally sharp but broadened by capillary waves. One consequence of anisotropic orientations of interfacial water molecules is asymmetric interactions, with respect to the sign of the charge, of ions with the water surface. It was found that even very close to the surface ions retain their hydration shells. New features of aqueous interfaces have been revealed in studies of water-membrane and water-monolayer systems. In particular, water molecules are strongly oriented by the polar head groups of the amphiphilic phase, and they penetrate the hydrophilic head-group region, but not the hydrophobic core. At infinite dilution near interfaces, amphiphilic molecules exhibit behavior different from that in the gas phase or in bulk water. This result sheds new light on the nature of hydrophobic effect in the interfacial regions. The presence of interfaces was also shown to affect both equilibrium and dynamic components of rates of chemical reactions. Applications of continuum models to interfacial problems have been, so far, unsuccessful. This, again, underscores the importance of molecular-level information about interfaces.

Review, Tutorial↗

DOE OSTI2022

Defect Thermodynamics and Transport Properties of Proton Conducting Oxide BaZr 1–x Y x O 3–δ (x ≤ 0.1) Guided by Density Functional Theory Modeling

Density functional theory-based thermodynamic modeling was performed to determine the effect of humidity and H 2 /O 2 gas pressure on the defect chemistry and transport properties of proton conducting oxide BaZr 1-x Y x O 3-δ (x ≤ 0.1) in the temperature range of 800–1200K, relevant for solid oxide fuel/electrolysis cell applications. The first-principles charge defect analysis was carried out to obtain the defect energetic ensembles as a function of Fermi level as well as the dependence of the hydration and oxidation reaction energies on complex defect-dopant configurations. It is shown that oxygen vacancies introduced to compensate for the extra Ba vacancies may cause a slight increase in the concentration of hydroxyl and proton species upon hydration of Ba deficient BaZr 1-x Y x O 3-δ , while the overall proton diffusivity is predicted to decrease with increased proton hopping barriers upon trapping near the Ba vacancies. The developed defect model is further demonstrated to be able to describe the bulk defect chemistry and transport properties of BaZr 0.9 Y 0.1 O 3-δ under the solid oxide cell operating conditions. Finally, the theoretical framework developed in this work further allows the inclusion of configurational, energetic and electronic characteristics of the defects that can be used as a complementary tool to experimental measurements for testing various mechanistic pathways or to provide essential mechanistic data.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Clathrate hydrate formation in amorphous cometary ice analogs in vacuo

Experiments conducted in clathrate hydrates with a modified electron microscope have demonstrated the possibility of such compounds' formation during the warming of vapor-deposited amorphous ices in vacuo, through rearrangements in the solid state. Subsolidus crystallization of compositionally complex amorphous ices may therefore be a general and ubiquitous process. Phase separations and microporous textures thus formed may be able to account for such anomalous cometary phenomena as the release of gas at large radial distances from the sun and the retention of volatiles to elevated temperatures.

Blake, David↗

DOE OSTI2025

Shape‐Stabilization of Phase Change Materials with Carbon‐Conscious Poly(hydroxy)Urethane Foams

Thermal energy regulation is a significant challenge, contributing to over 30% of annual greenhouse gas emission (GHG) emissions. Phase change materials (PCMs) offer a promising solution by storing thermal energy, which can enable the reuse of waste heat for heating and cooling; however, developing materials for shape-stabilized PCMs remains crucial. This work investigates a self-foaming poly(hydroxy)urethane (PHU), derived from a non-isocyanate polyurethane (NIPU), as a porous support for shape-stabilizing paraffinic and salt hydrate PCMs. PHU-encapsulated paraffinic PCMs exhibited excellent thermal stability over repeated cycles. Thermal stability with salt hydrate PCMs, specifically calcium chloride hexahydrate (CaCl 2 •6H 2 O), is achieved by the incorporation of 5 wt.% barium carbonate (BaCO 3 ) into the PHU foam. This enabled stable cycling for over 48 cycles with desirable thermal properties, i.e., a melting point ≈30 °C, high enthalpy (ca. 138 J g −1 per cycle), and a consistent freezing point ≈20 °C, making it suitable for applications in buildings and electric vehicle battery insulation. Also, incorporating graphite (1.5–10 wt.%) into the foam enhanced the thermal conductivity of shape-stabilized CaCl 2 •6H 2 O during heating and cooling cycles. Overall, the approach detailed here offers a carbon-conscious and chemically tunable material for thermal energy storage.

25 ENERGY STORAGE↗

DOE OSTI2023

Control of the Structural Charge Distribution and Hydration State upon Intercalation of CO 2 into Expansive Clay Interlayers

Numerous experimental investigations indicated that expansive clays such as montmorillonite can intercalate CO 2 preferentially into their interlayers and therefore potentially act as a material for CO 2 separation, capture, and storage. However, an understanding of the energy–structure relationship during the intercalation of CO 2 into clay interlayers remains elusive. Here, in this study, we use metadynamics molecular dynamics simulations to elucidate the energy landscape associated with CO 2 intercalation. Our free energy calculations indicate that CO 2 favorably partitions into nanoconfined water in clay interlayers from a gas phase, leading to an increase in the CO 2 /H 2 O ratio in clay interlayers as compared to that in bulk water. CO 2 molecules prefer to be located at the centers of charge-neutral hydrophobic siloxane rings, whereas interlayer spaces close to structural charges tend to avoid CO 2 intercalation. The structural charge distribution significantly affects the amount of CO 2 intercalated in the interlayers. These results provide a mechanistic understanding of CO 2 intercalation in clays for CO 2 separation, capture, and storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Low hydrogen solubility in clay interlayers limits gas loss in hydrogen geological storage

Gas intercalation into clay interlayers may result in hydrogen loss in the geological storage of hydrogen; a phenomenon that has not been fully understood and quantified. Here we use metadynamics molecular simulations to calculate the free energy landscape of H 2 intercalation into montmorillonite interlayers and the H 2 solubility in the confined water; in comparison with results obtained for CO 2 . Furthermore, the results indicate that H 2 intercalation into hydrated interlayers is thermodynamically unfavorable while CO 2 intercalation can be favorable. H 2 solubility in hydrated clay interlayers is in the same order of magnitude as that in bulk water and therefore no over-solubility effect due to nanoconfinement is observed – in striking contrast with CO 2 . These results indicate that H 2 loss and leakage through hydrated interlayers due to intercalation in a subsurface storage system, if any, is limited.

58 GEOSCIENCES↗

NASA NTRS2005

Thermodynamic Models for Aqueous Alteration Coupled with Volume and Pressure Changes in Asteroids

All major classes of chondrites show signs of alteration on their parent bodies (asteroids). The prevalence of oxidation and hydration in alteration pathways implies that water was the major reactant. Sublimation and melting of water ice, generation of gases, formation of aqueous solutions, alteration of primary minerals and glasses and formation of secondary solids in interior parts of asteroids was likely to be driven by heat from the radioactive decay of short-lived radionuclides. Progress of alteration reactions should have affected masses and volumes of solids, and aqueous and gas phases. In turn, pressure evolution should have been controlled by changes in volumes and temperatures, escape processes, and production/ consumption of gases.

Mironenko, M. V.↗

DOE OSTI2021

Investigation of NO adsorption and desorption phenomena on a Pd/ZSM-5 passive NO x adsorber

Pd-based zeolite materials have gained significant attention as passive NO x adsorbers (PNAs) for diesel-engine cold-start NO x mitigation due to their ability to store NO x at low temperatures. Pd/ZSM-5 is a promising PNA candidate, however, the NO adsorption mechanism over this material is not well understood. This study combines flow reactor experiments and surface spectroscopy to investigate NO adsorption under a variety of conditions. Furthermore, the state of hydration of the Pd cations played an important role in determining the impact of H 2 O and CO concentration on the PNA performance. Below 150 °C, the inhibition effect of H 2 O on NO adsorption was mitigated by CO. Due to dehydration, neither H 2 O nor CO had an impact on NO uptake at 150 °C, where maximum NO storage capacity of the PNA was also observed. The observed gas composition and temperature effects on NO adsorption and formation of surface intermediates ultimately inform a proposed mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

Metamorphism of cosmic dust: Processing from circumstellar outflows to the cometary regolith

Metamorphism of refractory particles continues in the interstellar medium (ISM) where the driving forces are sputtering by cosmic ray particles, annealing by high energy photons, and grain destruction in supernova generated shocks. Studies of the depletion of the elements from the gas phase of the interstellar medium tell us that if grain destruction occurs with high efficiency in the ISM, then there must be some mechanism by which grains can be formed in the ISM. Most grains in a cloud which collapses to form a star will be destroyed; many of the surviving grains will be severely processed. Grains in the outermost regions of the nebula may survive relatively unchanged by thermal processing or hydration. It is these grains which one hopes to find in comets. However, only those grains encased in ice at low temperature can be considered pristine since a considerable degree of hydrous alteration might occur in a cometary regolith if the comet enters the inner solar system. The physical, chemical and isotopic properties of a refractory grain at each stage of its life cycle will be discussed.

Nuth, Joseph A., III↗