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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Enhanced Formation of Solvent-Shared Ion Pairs in Aqueous Calcium Perchlorate Solution toward Saturated Concentration or Deep Supercooling Temperature and Its Effects on the Water Structure

As a candidate of Martian salts, calcium perchlorate [Ca(ClO 4 ) 2 ] has the potential to stabilize liquid water on the Martian surface because of its hygroscopicity and low freezing temperature when forming aqueous solution. These two properties of electrolytes in general have been suggested to result from the specific cation–anion–water interaction (ion pairing) that interrupts the structure of solvent water. To investigate how this concentration-dependent and temperature-dependent ion pairing process in aqueous Ca(ClO 4 ) 2 solution leads to its high hygroscopic property and the extreme low eutectic temperature, we have conducted two sets of experiments. First, the effects of concentration on aqueous calcium perchlorate from 3 to 7.86 m on ion pairing were investigated using Raman spectroscopy. Deconvolution of the Raman symmetric stretching band (ν 1 ) of ClO 4 – showed the enhanced formation of solvent-shared ion pairs upon increasing salt concentration at room temperature. We have confirmed that the low tendency of forming contact ion pairs in concentrated solution contributes to the high hygroscopicity of the salt. Second, the near eutectic samples were studied as a function of temperature by both combined differential scanning calorimetry–Raman spectroscopic experiments and in situ X-ray diffraction. The number of solvent-shared ion pairs was found to increase with decreasing temperature when cooled below the temperature of maximum density of the solution, driven by a change in water toward an ice-like structure in the supercooled regime. The massive presence of solvent-shared ion pairs in turn limits the development of the long-range order in the tetrahedral networks of water molecules, which is responsible for the extremely low eutectic point and deep supercooling effects observed in the Ca(ClO 4 ) 2 –H 2 O system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Exploiting Saturation Regimes and Surface Effects to Tune Composite Design: Single Platelet Nanocomposites of Peptoid Nanosheets and CaCO 3

Mineral-polymer composites found in nature exhibit exceptional structural properties essential to their function, and transferring these attributes to the synthetic design of functional materials holds promise across various sectors. Biomimetic fabrication of nanocomposites introduces new pathways for advanced material design and explores biomineralization strategies. This study presents a novel approach for producing single platelet nanocomposites composed of CaCO 3 and biomimetic peptoid (N-substituted glycines) polymers, akin to the bricks found in the brick-and-mortar structure of nacre, the inner layer of certain mollusc shells. The significant aspect of the proposed strategy is the use of organic peptoid nanosheets as the scaffolds for brick formation, along with their controlled mineralization in solution. Here, we employ the B28 peptoid nanosheet as a scaffold, which readily forms free-floating zwitterionic bilayers in aqueous solution. The peptoid nanosheets were mineralized under consistent initial conditions (σ calcite = 1.2, pH 9.00), with variations in mixing conditions and supersaturation profiles over time aimed at controlling the final product. Nanosheets were mineralized in both feedback control experiments, where supersaturation was continuously replenished by titrant addition and in batch experiments without a feedback loop. Complete coverage of the nanosheet surface by amorphous calcium carbonate was achieved under specific conditions with feedback control mineralization, whereas vaterite was the primary CaCO 3 phase observed after batch experiments. Thermodynamic calculations suggest that time-dependent supersaturation profiles as well as the spatial distribution of supersaturation are effective controls for tuning the mineralization extent and product. We anticipate that the control strategies outlined in this work can serve as a foundation for the advanced and scalable fabrication of nanocomposites as building blocks for nacre-mimetic and functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Chromium Isotope Fractionation During Reduction of Cr(VI) Under Saturated Flow Conditions

Chromium isotopes are potentially useful indicators of Cr(VI) reduction reactions in groundwater flow systems; however, the influence of transport on Cr isotope fractionation has not been fully examined. Laboratory batch and column experiments were conducted to evaluate isotopic fractionation of Cr during Cr(VI) reduction under both static and controlled flow conditions. Organic carbon was used to reduce Cr(VI) in simulated groundwater containing 20 mg L{sup -1} Cr(VI) in both batch and column experiments. Isotope measurements were performed on dissolved Cr on samples from the batch experiments, and on effluent and profile samples from the column experiment. Analysis of the residual solid-phase materials by scanning electron microscopy (SEM) and by X-ray absorption near edge structure (XANES) spectroscopy confirmed association of Cr(III) with organic carbon in the column solids. Decreases in dissolved Cr(VI) concentrations were coupled with increases in {delta}{sup 53}Cr, indicating that Cr isotope enrichment occurred during reduction of Cr(VI). The {delta}{sup 53}Cr data from the column experiment was fit by linear regression yielding a fractionation factor ({alpha}) of 0.9979, whereas the batch experiments exhibited Rayleigh-type isotope fractionation ({alpha} = 0.9965). The linear characteristic of the column {delta}{sup 53}Cr data may reflect the contribution of transport on Cr isotope fractionation.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2012

Characterization of a Saturated and Flexible Aliphatic Polyol Anion Receptor

Nature employs flexible molecules to bind anions in a variety of physiologically important processes whereas supramolecular chemists have been designing rigid substrates that minimize or eliminate intramolecular hydrogen bond interactions to carry out anion recogni-tion. Herein, the association of a flexible polyhydroxy alkane with chloride ion is described and the bound re-ceptor is characterized by infrared and photoelectron spectroscopy in the gas phase, computations, and its bind-ing constant as a function of temperature in acetonitrile.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2018

Experimental and Modeling Study of Methane Adsorption onto Partially Saturated Shales

Shale gas equilibrates through gas-liquid-solid interactions in reservoirs, but the role of moisture is rarely investigated. To determine how adsorbed water influences methane behavior, three carboniferous shale samples from the Qaidam Basin, China, were humidified at five levels up to a relative humidity of 89%, and their methane capacities at pressures up to 12 MPa were studied. The experimental results indicate that two water-related mechanisms, “water blocking for methane transport” and “surface competition for gas-solid interaction,” are primarily responsible for the methane capacity variations. A compositional comparison suggests that a high abundance of clay minerals plays a favorable role in methane migration by retaining water in interlayer pores. Based on the experimental data, an optimized method for calculating the adsorption amount based on an approximation of density distribution is proposed. The model predicts the average thickness of the adsorption layer and the adsorbed methane density distribution on the surface at a given pressure. Here, the methane adsorption layer “thins” in a stepped pattern by up to 45% in the presence of water, with little further change observed at relative humidities greater than 75% in the studied samples.

58 GEOSCIENCES↗