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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Cold-cap formation from a slurry feed during nuclear waste vitrification

The time-temperature history of waste slurry feed during melting strongly affects various kinetic processes, such as reaction or dissolution rates, and, consequently, the melting rate. To analyze the time-temperature history of the feed in a cold-cap during nuclear waste vitrification, this work focuses on understanding how the main coldcap body forms, how the aqueous feed slurry interacts with the cold-cap, and estimating the cold-cap heat conductivity. To simulate the conditions during cold-cap formation, samples were prepared by rapid water evaporation from slurry feed. After water evaporated from the sample, a fresh slurry with tracer was poured onto the dry sample. X-ray fluorescence was then used to investigate the degree of penetration and/or mixing between the incoming slurry and the original sample. We show that the slurry does not interact or mix with the previously dry cold-cap crust, but that water-soluble components concentrate at the bottom of the boiling pools, where most of the water evaporates. Further, using the rate of water evaporation, the heat conductivity of the cold-cap was calculated from the measured temperature profile. The resulting conductivity is significantly higher than the values obtained in previous studies. We discuss the implications of the results for the cold-cap formation in the melter and for the development of the cold-cap mathematical model.

Hujova, Miroslava↗
NASA NTRS1992

Why is the north polar cap on Mars different than the south polar cap?

One of the most puzzling mysteries about the planet Mars is the hemispherical asymmetry in the polar caps. Every spring, the seasonal polar cap of CO2 recedes until the end of summer, when only a small part, the residual polar cap, remains. During the year that Viking observed Mars, the residual polar cap was composed of water ice in the Northern Hemisphere (Kieffer et al., Science, 194, 1341, 1976) but was primarily carbon dioxide ice in the Southern Hemisphere (Kieffer, J. Geophys. Res., 84, 8263, 1979). Scientists have sought to explain this asymmetry by modeling observations of the latitudinal recession of the polar cap and seasonal variations in atmospheric pressure (since the seasonal polar caps are primarily frozen atmosphere, they are directly related to changes in atmospheric mass). These models reproduce most aspects of the observed annual variation in atmospheric pressure fairly accurately. Furthermore, the predicted latitudinal recession of the northern polar cap in the spring agrees well with observations, including the fact that the CO2 ice is predicted to completely sublime away. However, these models all predict that the carbon dioxide ice will also sublime away during the summer in the Southern Hemisphere, unlike what is observed. This paper will show how the radiative effects of ozone, clouds, and airborne dust, light penetration into and through the polar cap, and the dependence of albedo on solar zenith angle affect CO2 ice formation and sublimation, and how they help explain the hemispherical asymmetry in the residual polar caps. These effects have not been studied with prior polar cap models.

Lindner, Bernhard Lee↗
NASA NTRS1994

Why is the north polar cap on Mars different than the south polar cap?

One of the most puzzling mysteries about the planet Mars is the hemispherical asymmetry in the polar caps. Every spring the seasonal polar cap of CO2 recedes until the end of summer, when only a small part, the residual polar cap, remains. During the year that Viking observed Mars, the residual polar cap was composed of water ice in the northern hemisphere but was primarily carbon dioxide ice in the southern hemisphere. Scientists have sought to explain this asymmetry by modeling observations of the latitudinal recession of the polar cap and seasonal variations in atmospheric pressure (since the seasonal polar caps are primarily frozen atmosphere, they are directly related to changes in atmospheric mass). These models reproduce most aspects of the observed annual variation in atmospheric pressure fairly accurately. Furthermore, the predicted latitudinal recession of the northern polar cap in the spring agrees well with observations, including the fact that the CO2 ice is predicted to completely sublime away. However, these models all predict that the carbon dioxide ice will also sublime away during the summer in the southern hemisphere, unlike what is observed. This paper will show how the radiative effects of ozone, clouds, airborne dust, light penetration into and through the polar cap, and the dependence of albedo on solar zenith angle affect CO2 ice formation and sublimation, and how they help explain the hemispherical asymmetry in the residual polar caps. These effects have not been studied with prior polar cap models.

Lindner, Bernhard Lee↗
DOE OSTI2020

Viscosity of glass-forming melt at the bottom of high-level waste melter feed cold caps: Effects of temperature and incorporation of solid components

At the final stages of conversion of melter feed (glass batch) to molten glass, the transient glass-forming melt becomes a continuous liquid phase encapsulating dissolving solid particles and gas bubbles that produce primary foam at the bottom of the cold cap (the reacting melter feed in an electric glass melting furnace). The glass-forming melt viscosity plays a dominant role in primary foam formation, stability, and eventual collapse, thus affecting the rate of melting (the glass production rate per cold cap area). For several melter feeds designed for nuclear waste vitrification, we have traced the glass-forming melt viscosity during the final stages of feed-to-glass conversion as it changes in response to changing temperature and composition (resulting from dissolving solid particles). Starting with a relatively low values at the moment when the melt connects, melt viscosity reaches maximum within the primary foam layer and then decreases to its final melter-operating temperature value. We paid a particular attention to the cold-cap bottom—the boundary between the primary foam layer and the thermal boundary layer—where the melt viscosity affects the rate of melting predominantly through its effect on the temperature at which primary foam is collapsing.

Lee, Seung Min↗
DOE OSTI2020

Role of Capping Agents in the Synthesis of Salicylate-Capped Zinc Oxide Nanoparticles

Capping agents are often used for controlling the size, aggregation, and properties of nanoparticles. To guide the design of improved nanomaterials for targeted performance, one can use mechanistic insights into the interactions between capping agents and nanoparticles. Here, we employ density functional theory (DFT), reactive force-field molecular dynamics (ReaxFF MD) simulations, and optical spectroscopy to study the interactions between salicylate, as a model capping agent, and zinc oxide (ZnO) nanoparticles. In this work, we find that salicylate strongly interacts with the nanoparticle via the formation of O–Zn bonds in a distorted six-membered coordination ring structure. We describe the mechanisms of capping of ZnO nanoparticles by salicylate via three different binding modes. Simulations indicate that salicylate undergoes dissociative adsorption at the highly active surface Zn sites via a hydrogen-transfer process, thereby forming a tridentate configuration. The water-mediated interaction also facilitates the dissociative adsorption, leading to two salicylate O atoms coordinating with a surface Zn atom, while the other salicylate O atom bonds with another surface Zn atom. For molecular adsorption, binding free energies indicate that salicylate binds more strongly to ZnO, often in a bidentate configuration, than water does. The formation of the salicylate–ZnO complex is substantiated by UV–visible and Fourier transform infrared spectra. We find that the C=O stretching mode of salicylate becomes softened when it interacts with the nanoparticle, suggesting chemisorption of salicylate on ZnO. Although DFT predicts strong interaction between salicylate and ZnO, ReaxFF MD simulation indicates the moderate interaction between these two components in aqueous solution. Water molecules in close contact with the nanoparticle surface undergo dissociation, thus resulting in a surface hydroxyl, a reactive oxygen species that may influence the nanoparticle’s catalytic properties. Overall, the atomic-level information provided here can guide the selection process of salicylate as an appropriate agent for ZnO nanoparticle synthesis when strong interactions of particles with capping agents are required.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Eddy intrustion of hot plasma into the polar cap and formation of polar-cap arcs

Under the simple postulate that multiple large scale detachable magnetospheric convection eddies can exist in the vicinity of the convection reversal boundary and in the polar cap, by Kelvin-Helmholtz instability or otherwise, it is shown that a number of seemingly disconnected plasma and electric field observations in the polar cap can be organized into a theory of magnetosheath and plasmasheet plasma intrusion into the polar cap. Current theory of inverted V structures then predicts existence of similar, but weaker, structures at the eddy convection reversal boundaries in the polar cap. A possible consequence is that the polar cap auroras are natural offshoots from discrete oval arcs and evidently are formed by similar processes. The two arc systems can occassionally produce an optical image in the form of the theta aurora.

Chiu, Y. T.↗
DOE OSTI2021

Heat transfer from glass melt to cold cap: Computational fluid dynamics study of cavities beneath cold cap

Efficient glass production depends on the continuous supply of heat from the glass melt to the floating layer of batch, or cold cap. Computational fluid dynamics (CFD) are employed to investigate the formation and behavior of gas cavities that form beneath the batch by gases released from the collapsing primary foam bubbles, ascending secondary bubbles, and in the case of forced bubbling, from the rising bubbling gas. The gas phase fraction, temperature, and velocity distributions below the cold cap are used to calculate local and average heat transfer rates as a function of the bubbling rate. It is shown that the thickness of the cavities is nearly independent of the cold cap shape and the amount of foam evolved during batch conversion. Furthermore, it is ~7 mm and up to ~15 mm for the cases without and with forced bubbling used to promote circulation within the melt, respectively. Using computed velocity and temperature profiles, the melting rate of the simulated high-level nuclear waste glass batch was estimated to increase with the bubbling rate to the power of ~0.3 to 0.9, depending on the flow pattern. The simulation results are in good agreement with experimental data from laboratory- and pilot-scale melter tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1983

Eddy intrusion of hot plasma into the polar cap and formation of polar-cap arcs

Plasma and electric field signatures of polar cap arcs in their formation region above 5000 km are examined. Signatures for active and for quiet magnetic conditions are presented, both indicating a virtual equivalence of plasma and electric field signatures between the polar and evening discrete arcs, although their optical configurations can be very different. It is proposed that the two types of arcs are indeed the same at active times except that the polar cap arcs occur at multiple convection reversal boundaries of plasmasheet plasmas which intrude into the normal polar cap in the form of multiple cellular eddies. A far-reaching consequence of this hypothesis is the unification of arc formation theory clarifying the distinct roles of arc formation parallel electric fields and of arc configuration and location. Optical and particle data which support this hypothesis are discussed.

Chiu, Y. T.↗
DOE OSTI2019

On the Limited Role of Electronic Support Effects in Selective Alkyne Hydrogenation: A Kinetic Study of Au/MO x Catalysts Prepared from Oleylamine‐Capped Colloidal Nanoparticles

Abstract We report a quantitative kinetic evaluation and study of support effects for partial alkyne hydrogenation using oleylamine‐capped Au colloids as catalyst precursors. The amine capping agents can be removed under reducing conditions, generating supported Au nanoparticles of ∼2.5 nm in diameter. The catalysts showed high alkene selectivity (>90 %) at all conversions during alkyne partial hydrogenation. Catalytic activity, observed rate constants, and apparent activation energies (25–40 kJ/mol) were similar for all Au catalysts, indicating support effects are relatively small. Alkyne adsorption, probed with FTIR and DFT, showed adsorption on the support was associated with hydrogen‐bonding interactions. DFT calculations indicate strong alkyne adsorption on Au sites, with the strongest adsorption sites at the metal‐support interface (MSI). The catalysts had similar hydrogen reaction orders (0.7–0.9), and 1‐octyne reaction orders (∼−0.2), suggesting a common mechanism. The reaction kinetics are most consistent with a mechanism involving the non‐competitive activated adsorption of H 2 on an alkyne‐covered Au surface.

Bruno, James E.↗
NASA NTRS1984

Effects of the passage on an IMF discontinuity on the polar cap geometry and the formation of a polar cap ARC

Changes of the geometry of the open field line region (namely, the polar cap) caused by the passage of a tangential IMF discontinuity are simulated using the model constructed by Akasofu and Roederer (1983). A singly-bounded open field line region tends to split into two, forming a narrow closed field line region and thus allowing the formations of a plasma sheet and of an auroral arc across the highest latitude region of the earth. The three-dimensional geometry of some of the closed field lines in the narrow closed region is examined. In this connection, an interesting observation of the formation of an auroral arc over Thule, Greenland, is reported.

Akasofu, S.-I.↗
NASA NTRS1999

On the Oxidative Degradation of Nadic End-Capped Polyimides: Synthesis and Characterization of Model Compounds for End-Cap Degradation Products - 3

The oxidative degradation of PMR (for polymerization of monomeric reactants) polyimides at elevated temperatures was followed by cross-polarized magic angle spinning (CP-MAS) NMR. Labeling of selected sites in the polymers with C-13 allowed for direct observation of the transformations arising from oxidation processes. The formation of several degradation products has been proposed to be occurring in the cross-links derived from the nadic end caps on oxidation. Model compounds have been synthesized and characterized by CPMAS NMR with both normal and delayed decoupling to distinguish between protonated and unprotonated carbons. Comparison of these spectra to predicted chemical shifts of proposed products for the aged polymer provides further insight to degradation occurring in the cross-linked moieties.

Meador, Mary Ann B.↗
DOE OSTI2023

Assembling PNIPAM-Capped Gold Nanoparticles in Aqueous Solutions

Employing small-angle X-ray scattering (SAXS), we explore the conditions under which assembly of gold nanoparticles (AuNPs) grafted with the thermosensitive polymer poly(N-isopropylacrylamide) (PNIPAM) emerges. We find that short-range order assembly emerges by combining the addition of electrolytes or polyelectrolytes with raising the temperature of the suspensions above the lower-critical solution temperature (LCST) of PNIPAM. Our results show that the longer the PNIPAM chain is, the better organization in the assembled clusters. Interestingly, without added electrolytes, there is no evidence of AuNPs assembly as a function of temperature, although untethered PNIPAM is known to undergo a coil-to-globule transition above its LCST. This study demonstrates another approach to assembling potential thermosensitive nanostructures for devices by leveraging the unique properties of PNIPAM.

Nayak, Binay P↗