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At least 415 records · Page 23

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DOE OSTI2023

Relationship of the Molecular Structure and Transport Properties of Imide-Based Lithium Salts of “Acetonitrile/Water-in-Salt” Electrolytes

“Water-in-salt” (WIS) electrolytes exhibit excellent safety and electrochemical performance. However, they possess high concentrations, relatively low diffusion coefficient, and high viscosity. “Acetonitrile/water in salt” (AWIS) electrolytes can overcome the disadvantages of WIS electrolytes. Under relatively low concentrations, AWIS electrolytes show good electrochemical performance comparable to WIS electrolytes and low conductivity. Herein, we investigate the relationship between the solvation structures and the transport properties using small-angle X-ray scattering and molecular dynamics simulation. We observed two solvation behaviors of AWIS: anions dissolved in acetonitrile forming small acetonitrile/anion clusters and additional water further dissolving the small acetonitrile/anion clusters. The introduction of acetonitrile weakens the water–solute interaction and enhances the cation–anion interaction, which results in an enhanced dynamical slowdown as the concentration increases. In conclusion, this work provides molecular-level understanding of the connection between two-stage solvation structures and transport properties for imide-based lithium salt solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1997

Advection in Accretion Disk Boundary Layers

Recent numerical simulations of accretion disk boundary layers have shown qualitatively the importance tance of advected energy in the inner region of the disk. In this short paper we present quantitative results of advective boundary layers in the optically thick regime. Numerical results are obtained for various systems, by means of a one-dimensional time-dependent numerical code. At high accretion mass rates, dot-M approx. = 10(exp -4) solar mass/yr, or low values of the viscosity parameter, alpha approx. = 0.001-0.01 (characteristic of FU Orionis systems and some symbiotic stars), the optical thickness in the inner part of the disk becomes very large (tau much greater than 1). The disk, unable to cool efficiently, becomes geometrically thick (H/r approx. = 0.5). The energy dissipated in the dynamical boundary layer is radiated outward to larger radii and advected into the star. The boundary-layer luminosity is only a fraction of its expected value; the rest of the energy is advected into the star. The fraction of the advected energy is zeta = L(sub adv)/L(sub acc) approx. = 0.1 in symbiotic stars (accretion onto a low-mass main-sequence star) and zeta approx. = 0.2 in FU Ori systems (accretion onto a pre-main sequence star).

Godon, Patrick↗

NASA NTRS1983

Postglacial rebound observed by Lageos and the effective viscosity of the lower mantle

Sixty-four observations of the orbital node made by the Lageos satellite over a five year time interval reveal an acceleration of (-8.1 + or 1.8) x 10 to the -8 power arcseconds day/2 due to a source which is not presently modeled in the GEODYN orbit determination computer program. This acceleration cannot be explained by the ocean tide with 18.6 year period, assuming it to be an equilibrium tide. Instead it seems to be due to postglacial rebound, which changes the J(2) coefficient in the spherical harmonic expansion of the earth's gravitational field at the rate of (-8.2 + or - 18) x 10 to the -19th power/s; this in turn accelerates the node. This rate does not agree with the -32 x 10 to the -19th power/s predicted by Wu and Peltier's (1982) L2 model, which has upper and lower mantle effective viscosities of 10 to the 21st and 22nd powers Pa's, respectively. it does agree well with their L1 model, which gives about 10 x 10 to the 19th power/s. Since the effective viscosity is 10 to the 21st power Pa s throughout the entire mantle in the L1 model, the results support the contentions that the effective viscosity is near 10 to the 21st power Pa s everywhere in the mantle, and this relatively low value for the effective viscosity may have permitted several degrees of polar wander due to glaciation during the Quaternary Ice Age.

Rubincam, D. P.↗

NASA NTRS1984

Postglacial rebound observed by Lageos and the effective viscosity of the lower mantle

Sixty-four observations of the orbital node made by the Lageos satellite over a five year time interval reveal an acceleration of (-8.1 + or - 1.8) x 10 to the -8 power arcseconds day/2 due to a source which is not presently modeled in the GEODYN orbit determination computer program. This acceleration cannot be explained by the ocean tide with 18.6 year period, assuming it to be an equilibrium tide. Instead it seems to be due to postglacial rebound, which changes the J(2) coefficient in the spherical harmonic expansion of the earth's gravitational field at the rate of (-8.2 + or - 18) x 10 to the -19th power/s; this in turn accelerates the node. This rate does not agree with the -32 x 10 to the -19th power/s predicted by Wu and Peltier's (1982) L2 model, which has upper and lower mantle effective viscosities of 10 to the 21st and 22nd powers Pa's, respectively. It does agree well with their L1 model, which gives about 10 x 10 to the 19th power/s. Since the effective viscosity is 10 to the 21st power Pa s throughout the entire mantle in the L1 model, the results support the contentions that the efective viscosity is near 10 to the 21st power Pa s everyhere in the mantle, and this relatively low value for the effective viscosity may have permitted several degrees of polar wander due to glaciation during the Quaternary Ice Age. Previously announced in STAR as N84-13705

Rubincam, D. P.↗

DOE OSTI2021

Sparse invariant domain preserving discontinuous Galerkin methods with subcell convex limiting

In this paper, we develop high-order nodal discontinuous Galerkin (DG) methods for hyperbolic conservation laws that satisfy invariant domain preserving properties using subcell flux corrections and convex limiting. These methods are based on a subcell flux corrected transport (FCT) methodology that involves blending a high-order target scheme with a robust, low-order invariant domain preserving method that is obtained using a graph viscosity technique. Furthermore, the new low-order discretizations are based on sparse stencils which do not increase with the polynomial degree of the high-order DG method. As a result, the accuracy of the low-order method does not degrade when used with high-order target methods. The method is applied to both scalar conservation laws, for which the discrete maximum principle is naturally enforced, and to systems of conservation laws such as the Euler equations, for which positivity of density and a minimum principle for specific entropy are enforced. Numerical results are presented on a number of benchmark test cases.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Enhancing membrane performance for CO 2 capture from flue gas with ultrahigh MW polyvinylamine

Membranes for post-combustion CO 2 capture are required to have a high CO 2 permeance due to the limited driving force. For facilitated transport membranes synthesized with polyvinylamine (PVAm), a defect-free selective layer of <200 nm is usually required to render sufficient permeance with high CO 2 /N 2 selectivity. In order to meet such a demand through the knife-coating process, the coating solution needs to have a high viscosity at a relatively low concentration to minimize its penetration into the substrate. The demand was met by synthesizing PVAm with an ultrahigh molecular weight (MW) via inverse emulsion polymerization (IEP) in this study. Compared to solution polymerization, IEP isolates the reaction in inverse micelles suspended in a continuous organic phase, which allows excellent dissipation of the heat generated by the reaction and reduces gel formation drastically. The polymerization parameters, including monomer concentration, initiator concentration, and reaction temperature, were investigated to obtain the optimal MW of PVAm for membrane performance. As compared to solution polymerization, IEP enhanced the MW of PVAm from 1.2 to 12.7 MDa, which minimized the penetration of the coating solution into the substrate and hence the extra mass transfer resistance. The effect of MW and degree of hydrolysis of PVAm on the membrane transport properties were studied. Furthermore, by employing PVAm with a MW of 12.7 MDa to strengthen the polymer matrix, the loading of piperazine glycinate in the membrane was increased up to 85 wt.%. In conclusion, the resultant membrane achieved a CO 2 permeance of 839 GPU and a CO 2 /N 2 selectivity of 161 at the typical flue gas temperature of 57°C.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2025

Machine learning-enabled discovery of ionic liquid–solvent electrolytes exhibiting high ionic conductivity

Ionic liquids (ILs), which are a class of materials with versatile nature and growing popularity, are facing impediments toward widespread usage as electrolytes due to various factors such as low ionic conductivity, high viscosity, high market price etc. One of the ways these limitations can be addressed is by mixing ILs with a molecular solvent. In a combinatorial sense, there exists an immense number of specific IL–solvent combinations. An exhaustive experimental or even simulation-based investigation of the chemical space spanned by such combinations can be extremely time-consuming, expensive, and nearly impossible. An alternative approach is to employ machine learning-based models developed from available databases. Although there exists prior literature that integrates machine learning to investigate mixtures of specific solvents with ILs, these models lack generalization necessitating development of a large number of ML models to handle various solvents. To remedy this shortcoming, as a part of designing green electrolytes with high ionic conductivity that can have potential applications in next-generation batteries and solar cells, this work aims to develop a unified machine learning model to predict ionic conductivity of any IL–solvent mixture system. In this regard, three models, namely, Random Forest, extreme gradient boosting (XGBoost), and artificial neural network (ANN) were formulated using the NIST ILThermo database. The dataset contained 549 unique ionic liquids from 16 cation families and 81 unique solvents, representing a total of 23 712 datapoints. SHAPLEY additive explanation (SHAP) method was used to assess the impact of various features on model prediction and their significance was compared with literature to gain physical insight about the model behavior. Finally, using the developed models, approximately 2.5 million IL–solvent mixtures at five different compositions were screened at room temperature. The high-throughput screening yielded nearly 19 000 IL–solvent mixtures for which ionic conductivity was found to exceed the ionic conductivity of conventional Li-ion battery electrolyte.

25 ENERGY STORAGE↗

NASA NTRS1981

Ion-neutral momentum coupling near discrete high-latitude ionospheric features

A two-dimensional numerical model is developed to study the momentum coupling between the ionosphere and neutral atmosphere in the vicinity of discrete high-latitude features, such as convection channels and plasma density troughs. Based on generalized magnetohydrodynamic equations the model takes account of global pressure gradients, viscous dissipation, ion drag, the Coriolis force, and electrodynamic drifts. Among the findings of an initial steady state investigation are the following: (1) in convection channels, significant shears and rotations of the thermospheric flow can occur below 200 km if a minimum in the electron density profile is present between the E and F regions; (2) in convection channels, the thermospheric wind decreases with height in the F region owing to the effects of horizontal viscosity; and (3) at low altitudes, the boundaries of convection channels may produce Ekman spirals.

St-Maurice, J.-P.↗

NASA NTRS1982

Viscometric and misting properties of polymer-modified fuel

Solutions of polyisobutylenes L160, L200, B200, and B230 in Jet-A were prepared at concentrations up to 3000 ppm. These polymers have molecular weights in the range 5 to 9 x 1,00,000 and have previously been shown to induce anti-misting properties in Jet-A. In connection with the pumpability of such solutions, especially at low temperatures, the shear viscosity, eta, of these solutions was measured at temperatures 25 C, 0 C, and -25 C. Concentration-dependence of eta was very similar for all four polymer solutes, the increase of eta(c) at 3000 ppm being roughly four-fold (relative to Jet-A) for the L-series and five-fold for the B-series. This behavior prevailed at all temperatures, and there was no evidence of phase separation or other chemical instability at -25 C at any concentration. In the more practical c-range for anti-misting applications, say within 1000 ppm, the increase of eta(c) was only twofold.

Grens, E. A., II↗

NASA NTRS1987

Measuring Viscosities of Gases at Atmospheric Pressure

Variant of general capillary method for measuring viscosities of unknown gases based on use of thermal mass-flowmeter section for direct measurement of pressure drops. In technique, flowmeter serves dual role, providing data for determining volume flow rates and serving as well-characterized capillary-tube section for measurement of differential pressures across it. New method simple, sensitive, and adaptable for absolute or relative viscosity measurements of low-pressure gases. Suited for very complex hydrocarbon mixtures where limitations of classical theory and compositional errors make theoretical calculations less reliable.

Singh, Jag J.↗

NASA NTRS1989

Characterization of a thermally imidized soluble polyimide film

A soluble aromatic poly(amic acid) film was converted to a soluble polyimide by staging at 25 deg intervals to 325 C and characterized at each interval by several analytical methods. The behavior observed was consistent with an interpretation that a reduction occurred in molecular weight of the poly(amic acid) during the initial stages of cure before the ultimate molecular weight was achieved as a polyimide. This interpretation was supported by the results of solution viscosity, gel permeation chromatography, low angle laser light scattering photometry and infrared spectroscopy analysis. The results serve to increase the fundamental understanding of how polyimides are thermally formed from poly(amic acids).

Young, Philip R.↗

NASA NTRS1990

Characterization of a thermally imidized soluble polyimide film

Young, Philip R.↗

NASA NTRS1992

Igneous and tectonic evolution of Venusian and terrestrial coronae

A great variety of tectonic and volcanic features have been documented on Venus. It is widely appreciated that there are close spatial associations among certain types of tectonic structures and some classes of volcanic flows and constructs. Coronae are endowed with a particularly rich variety of volcanism. It is thought that coupled tectonic and volcanic aspects of coronae are cogenetic manifestations of mantle plumes. An outstanding feature of most venusian coronae is their circular or elliptical shape defined by peripheral zones of fracturing and/or folding. Some coronae are composite, consisting of two or more small coronae within a larger enclosing corona, suggesting complex histories of structured diapirism analogous in some ways to salt dome tectonics. Coronae range widely in size, from smaller than 100 km to over 1000 km in diameter. Volcanic features associated with venusian coronae include lunar-like sinuous rilles, thin lava flows, cinder cone-like constructs, shield volcanos, and pancake domes. Several types of volcanic features are often situated within or near a single corona, in many instances including land-forms indicating effusions of both low- and high-viscosity lavas. In some cases stratigraphic evidence brackets emplacement of pancake domes during the period of tectonic development of the corona, thus supporting a close link between the igneous and tectonic histories of coronae. These associations suggest emplacement of huge diapirs and massive magmatic intrusions, thus producing the tectonic deformations defining these structures. Igneous differentiation of the intrusion could yield a range of lava compositions. Head and Wilson suggested a mechanism that would cause development of neutral buoyancy zones in the shallow subsurface of Venus, thereby tending to promote development of massive igneous intrusions.

Kargel, J. S.↗

NASA NTRS1992

Two-dimensional viscous accretion disk models. I - On meridional circulations in radiative regions

It has been suggested that thin Keplerian disks, like rotating stars, cannot attain hydrostatic and thermal equilibrium simultaneously if the angular velocity is a function of radius only. To address the problem of vertical structure and stability of thin accretion disks, we performed 2D axisymmetric calculations by solving the set of fully nonlinear hydrodynamic equations, including radiation transport. The results indicate that the variation of the rotational velocity with height is too small to sustain hydrostatic equilibrium. Instead, the variation of the radial (inflow) velocity with height suffices to establish a stationary state. In particular, we find that for low values of the viscosity parameter alpha, there is mass outflow in the central parts of the disk close to the equatorial plane, and inflow only near the surface. Only for modestly high values of alpha, the flow throughout the disk is directed inward. Thus, the flow within the disk is the result of viscous radial inflow plus a circulatory flow directed outward in the midplane and inward near the surface.

Kley, W.↗

NASA NTRS2016

Origin of the Two Scales of Wind Ripples on Mars

Earth's sandy deserts host two main types of bedforms - decimeter-scale ripples and larger dunes. Years of orbital observations on Mars also confirmed the existence of two modes of active eolian bedforms - meter-scale ripples, and dunes. By analogy to terrestrial ripples, which are thought to form from a grain mechanism, it was hypothesized that large martian ripples also formed from grain impacts, but spaced further apart due to elongated saltation trajectories from the lower martian gravity and different atmospheric properties. However, the Curiosity rover recently documented the coexistence of three scales of bedforms in Gale crater. Because a grain impact mechanism cannot readily explain two distinct and coeval ripple modes in similar sand sizes, a new mechanism seems to be required to explain one of the scales of ripples. Small ripples are most similar to Earth's impact ripples, with straight crests and subdued profiles. In contrast, large martian ripples are sinuous and asymmetric, with lee slopes dominated by grain flows and grainfall deposits. Thus, large martian ripples resemble current ripples formed underwater on Earth, suggesting that they may form from a fluid-drag mechanism. To test this hypothesis, we develop a scaling relation to predict the spacing of fluid-drag ripples from an extensive flume data compilation. The size of large martian ripples is predicted by our scaling relation when adjusted for martian atmospheric properties. Specifically, we propose that the wavelength of martian wind-drag ripples arises from the high kinematic viscosity of the low-density atmosphere. Because fluid density controls drag-ripple size, our scaling relation can help constrain paleoatmospheric density from wind-drag ripple stratification.

Lapotre, Mathieu G. A.↗

NASA NTRS2001

High-Flow PMR-Polymide Composites Developed With Mechanical Properties Comparable to Other High-Temperature Systems

PMR polyimides, in particular PMR-15, are well known for their excellent high-temperature stability and performance, and solvent resistance. However, the processing of these materials is limited, for the most part, to prepreg-based methods, such as compression or autoclave processing. These methods involve substantial amounts of hand labor, and as a result, manufacturing costs for components made from PMR polyimides can be high. In cost-sensitive applications, these high manufacturing costs can make the use of PMR polyimide-based components cost prohibitive. Lower cost manufacturing methods, such as resin transfer molding (RTM) and resin film infusion, have been demonstrated to reduce manufacturing costs by as much as 50 percent over prepreg-based methods. However, these processes are only amenable to materials with melt viscosities below 30 poise. Most PMR polyimides have melt viscosities on the order of 100 poise or higher. Recent efforts at the NASA Glenn Research Center have focused on chemical modifications to PMR polyimides to reduce their melt viscosity to the point where they could be processed by these low-cost manufacturing methods without adversely affecting their high-temperature properties and performance. These efforts have led to a new family of PMR polyimides that have melt viscosities significantly lower than that of PMR-15. Reductions in melt viscosity are brought about through the introduction of molecular twists in the polymer backbone. Carbon fiber (T650- 35) composites were prepared from one of these polyimides, designated PMR-Flex, by compression molding. The properties of these composites are presented below and compared with comparable composites made from PMR-15 and PETI-RTM, a new low-melt-viscosity polyimide.

Meador, Michael A.↗

NASA NTRS1987

Analysis of subgrid-scale eddy viscosity with use of results from direct numerical simulations

Without resort to any modeling, subgrid-scale eddy viscosity is computed from the results of high-resolution (64 cubed and 128 cubed grid points) direct numerical simulations of three-dimensional homogeneous isotropic decaying turbulence. In these simulations the eddy viscosity peaks sharply at the cutoff wavenumber, in rough agreement with the results of Kraichnan (1976). In addition, in the low-wavenumber range the eddy viscosity may be negative, contrary to the generally accepted concept of subgrid-scale eddy viscosity. Some possible explanations of this behavior are discussed.

Domaradzki, J. Andrzej↗

NASA NTRS1984

Nitrogen threshold experiment

In order to obtain data on Earth geologic processes associated with wind erosion, Mar's and Venus' atmospheres were simulated. Experiments were designed to observe the effects of pressure, gravity, and density on sand movement. An experiment designed to test the operator variance was a comparative test between nitrogen and carbon dioxide. Pressure and therefore density was increased until threshold was noted. Threshold was determined at precisely the same densities of the two gases. If viscosity were a contributing factor in grain saltation the effect would be noted at low pressures. The experiment showed no such variance between carbon dioxide and nitrogen runs for low pressure (density). The largest difference in viscosity between carbon dioxide and nitrogen occurs at low pressures (densities).

Treat, C. L.↗