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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 1,009 records · Page 56

Hydrated Ordinary Portland Cement as a Carbonic Cement: The Mechanisms, Dynamics, and Implications of Self-Sealing and CO 2 Resistance in Wellbore Cements

This report analyzes the dynamics and mechanisms of the interactions of carbonated brine with hydrated Portland cement. The analysis is based on a recent set of comprehensive reactive-transport simulations, and it relies heavily on the synthesis of the body of work on wellbore integrity that we have conducted for the Carbon Storage Program over the past decade.

54 ENVIRONMENTAL SCIENCES↗

Hydration Mechanisms in Nanoparticle Interaction and Surface Energetics

Work on the project advanced molecular level understanding, prediction and control of nanoscale hydration in salt solutions under electric stimuli or ionic patterning. Permeation of nanoporous electrodes at preset voltage underlies the function of ultracapacitors. Transitory regulation of wetting in nanoporous media by electric field spans an array of applications in materials, energy storage, and separation sciences. The physically related modulation of nanoparticle solubility by surface charges can significantly extend the range of the nanomaterial applications, improve processing techniques, and potentially alleviate environmental concerns. Pore/solution equilibria, and activated kinetics of liquid gating by nanoconfined electrolytes are challenging problems at the forefront of experimental and theoretical research. Addressing these problems from a molecular perspective required the development of state-of-the-art simulation algorithms in statistical mechanics to capture complex processes in open systems under electric control. Parallel studies of wetting and dispersibility of polar and ionizing particles aim to uncover predictive relations between electrowetting, chemical functionalization, and geometry of nanomaterial particles. By nonequilibrium dynamic modeling, we elucidated electrolyte flow in nanochanels and associated electrokinetic energy conversion. Research on the program provided training opportunities for the next generation of scientists in computational chemistry. Insights, and methods from the project implicate broad segment of researchers in energy and nanosciences, materials and surface chemistry.

74 ATOMIC AND MOLECULAR PHYSICS↗

Product Consistency Test and Vapor Hydration Test Comparisons of a Radioactive Hanford Waste Glass with its Non-Radioactive Simulant Glass

Product Consistency Tests (PCT) and Vapor Hydration Tests (VHT) were performed on a radioactive glass made from Hanford tank AP-107 waste (i.e., R-AP-107) and its non-radioactive equivalent glass made from simulated tank waste (i.e., S-AP-107). The radioactive and non-radioactive experiments were conducted in parallel with identical equipment, protocols, and staff to remove additional experimental uncertainties. PCT and VHT results are reported for all samples and are shown in Table S.1. Average normalized mass loss of B ( NL B ) and Na ( NL Na ) calculated from the three replicate test results for each glass with their respective standard deviations (SD) are presented for PCT results while individual VHT rates ( r VHT ) with their propagated errors ( σ r prop ) from individual thickness measurements on each sample are presented for the VHT results. Some VHT samples experienced more than 50% evaporation loss during the experiments. However, no visible alteration was detected on any VHT samples regardless on the amount of evaporation loss detected as shown in Table S.1.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Hydrogel-Salt Hydrate Composite for Highly Stable Heat Energy Storage with Reduced Supercooling

Phase change materials (PCM) have potential for use in thermal energy storage in buildings, medical devices, and water heat pumps. Sodium sulfate hydrate (SSD) is appealing due to its high energy storage capability and affordability. However, SSD has issues including high supercooling (> 15°C) and low thermal cyclic stability. In this study, we introduced an ionic molecular nucleating agent that decreases the supercooling temperature to under 2°C. When this SSD was combined with a hydrogel, it maintained its thermal energy storage capacity for over 100 cycles without any decline. The success is attributed to the polymer confining the SSD crystals, preventing large-scale phase separation and the nucleating agent which resulted in nucleation of many small SSD crystals at small undercoolings rather than a small number of larger crystals. As a proof-of-application, we synthesized this composite at a kg scale and demonstrated its properties in a close to real-world demonstration.

chemical composition, thermodynamics↗

Examination of Gamma-irradiated Calcium Silicate Hydrates. Part II: Mechanical Properties

Mechanical properties of calcium silicate hydrates (C-S-H) with C/S ratios of 0.75, 1, and 1.33 were examined with nanoindentation after gamma-adsorbed doses of 0.145, 0.280, 0.500, and 0.784 MGy, and were compared with control samples. Young' s modulus and stress relaxation tests showed no apparent trend with irradiation dose. Qualitatively, most of the irradiated samples were found to relax more than their respective controls, but not always in a statistically significant manner. Most of the Young' s modulus irradiated–control pairs showed marginally higher stiffness in the irradiated samples, but overall trends with irradiation dose were not obvious. Creep compliance was obtained for the samples irradiated at the highest dose and their respective controls. Two of the three irradiated samples exhibited less creep than their respective controls, but only one of which was statistically significant. The lack of clear changes in mechanical properties for these samples correlates with separate chemical analyses that showed no loss of interlayer water by exposure to irradiation or changes in the mean silicate chain length. Further research evaluating higher doses (25 and 200 MGy) representative of those received by concrete structures in nuclear power plants at prolonged operation is being carried out to complement the present study.

36 MATERIALS SCIENCE↗

Hydration-Induced Phase Separation in Amphiphilic Polymer Matrices and its Influence on Voclosporin Release

Voclosporin is a highly potent, new cyclosporine -- a derivative that is currently in Phase 3 clinical trials in the USA as a potential treatment for inflammatory diseases of the eye. Voclosporin represents a number of very sparingly soluble drugs that are difficult to administer. It was selected as a model drug that is dispersed within amphiphilic polymer matrices, and investigated the changing morphology of the matrices using neutron and x-ray scattering during voclosporin release and polymer resorption. The hydrophobic segments of the amphiphilic polymer chain are comprised of desaminotyrosyl-tyrosine ethyl ester (DTE) and desaminotyrosyl-tyrosine (DT), and the hydrophilic component is poly(ethylene glycol) (PEG). Water uptake in these matrices resulted in the phase separation of hydrophobic and hydrophilic domains that are a few hundred Angstroms apart. These water-driven morphological changes influenced the release profile of voclosporin and facilitated a burst-free release from the polymer. No such morphological reorganization was observed in poly(lactide-co-glycolide) (PLGA), which exhibits an extended lag period, followed by a burst-like release of voclosporin when the polymer was degraded. An understanding of the effect of polymer composition on the hydration behavior is central to understanding and controlling the phase behavior and resorption characteristics of the matrix for achieving long-term controlled release of hydrophobic drugs such as voclosporin.

59 BASIC BIOLOGICAL SCIENCES↗

Effect of Tartaric Acid on Hydration of a Sodium-Metasilicate-Activated Blend of Calcium Aluminate Cement and Fly Ash F

An alkali-activated blend of aluminum cement and class F fly ash is an attractive solution for geothermal wells where cement is exposed to significant thermal shocks and aggressive environments. Set-control additives enable the safe cement placement in a well but may compromise its mechanical properties. Here, this work evaluates the effect of a tartaric-acid set retarder on phase composition, microstructure, and strength development of a sodium-metasilicate-activated calcium aluminate/fly ash class F blend after curing at 85 °C, 200 °C or 300 °C. The hardened materials were characterized with X-ray diffraction, thermogravimetric analysis, X-ray computed tomography, and combined scanning electron microscopy/energy-dispersive X-ray spectroscopy and tested for mechanical strength. With increasing temperature, a higher number of phase transitions in non-retarded specimens was found as a result of fast cement hydration. The differences in the phase compositions were also attributed to tartaric acid interactions with metal ions released by the blend in retarded samples. The retarded samples showed higher total porosity but reduced percentage of large pores (above 500 µm) and greater compressive strength after 300 °C curing. Lastly, mechanical properties of the set cements were not compromised by the retarder.

15 GEOTHERMAL ENERGY↗

In Situ Characterization of Hydrated Proteins in Water by SALVI and ToF-SIMS

We demonstrate in situ chemical imaging of protein biomolecules in the aqueous solution using System for Analysis at the Liquid Vacuum Interface (SALVI) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). The fibronectin protein film was immobilized on the silicon nitride (SiN) membrane forming the SALVI detection area. During ToF-SIMS analysis, three modes of analysis were conducted including high spatial resolution mass spectra, two-dimensional (2D) imaging, and depth profiling. Mass spectra were acquired in both positive and negative modes. Deionized water was also analyzed as a reference sample. Our results show that fibronectin film in water has more distinct and stronger water cluster peaks compared to water alone. Characteristic peaks of amino acid fragments are also observable in the hydrated protein ToF-SIMS spectra. These results illustrate that protein molecule adsorption on a surface can be studied dynamically using SALVI and ToF-SIMS in the liquid environment.

chemical imaging↗

GUVs prepared by gentle hydration reproduce the oscillatory domain dynamics

GUVs prepared by ‘gentle hydration’ consisting of POPC:SM:Ch (1:1:1) labeled with 0.5 mol% Rho-DPPE (pseudo-colored blue), encapsulating 200 mM sucrose. Hypotonic conditions are established by dilution in deionized water at 25°C. Vesicles exhibit osmotic swelling and oscillatory domain dynamics comparable to that seen for electroformed GUVs under the same conditions.

59 BASIC BIOLOGICAL SCIENCES↗

Evidence about hydrate and solid water in the Martian surface from the 1969 Mariner infrared spectrometer

Results of laboratory simulation studies and comparative computer analyses of infrared spectral data regarding the presence, distribution, and form of condensed-phase water in the Martian surface. The data were obtained with the aid of the Mariner 6 and 7 spacecraft which were equipped with infrared spectrometers recording the infrared spectrum from 1.9 to 14.4 microns. From the analysis of these data evidence is obtained which signifies some sort of compositional and/or particle size variability of the extent and nature of hydration. Changes are noted which could be due to ice thinly covering a small fraction of the planetary surface in particularly cold spots, possibly on partially shaded slopes. At southerly latitudes, the fraction so covered seems to increase as the polar cap edge is approached. It is therefore concluded that there is strong evidence of ice formation on the planetary surface at the edge of the polar cap.

Pimentel, G. C.↗

The formation of goethite and hydrated clay minerals on Mars

Laboratory studies reported by Huguenin (1973) on the kinetics and mechanism of the photostimulated oxidation of magnetic and preliminary laboratory data on the weathering of silicates, reported herein, are applied to Mars. Basalts in the Martian dark areas are predicted to alter to hydrated Fe(2 plus or minus) depleted clay minerals, minor goethite, and minor to trace amounts of transition metal oxides such as TiO2, MnO2, and Cr2O3 at a rate of 10 to the minus 1.5 plus or minus 1.5 micron/yr. Some Ca-Mg carbonates are also expected to be formed. The clay minerals are predicted to be more silica-rich than the silicate source material, SiO2 contents of 60% or higher being expected, and strongly depleted in Fe(2+). The oxygen, OH, and H2O contents of the bulk weathering product are predicted to be significantly greater than those of the dark-area source materials, whereas the relative bulk metal abundances should be the same.

Huguenin, R. L.↗

Asteroid 1 Ceres - Evidence for water of hydration

An absorption feature centred near 3.0 microns has been discovered in the infrared spectrum of asteroid 1 Ceres. This spectrum has been compared with laboratory spectra of meteorites and shows great similarity to the spectra of type II carbonaceous chondrites. By analogy this suggests the presence of about 10-15 per cent water in the form of water of hydration on the surface of Ceres. This is the first evidence of water in the surface material of an asteroid.

Lebofsky, L. A.↗

Thermal reaction of ethynylphthalimides and hydration of N-/4-ethynylphenyl/phthalimide

Three ethynyl substituted phenylphthalimides were prepared and characterized by high pressure liquid chromatography, differential scanning calorimetry, and mass spectroscopy. When the preparation of N-(4-ethynylphenyl)phthalimide was attempted by the thermal cyclodehydration of N-(4-ethynylphenyl)-2-carboxybenzamide, N-(4-acetylphenyl)phthalimide was obtained as the major component. This unusual hydration of an ethynyl group was investigated and a mechanism was proposed to explain it.

Hergenrother, P. M.↗