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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Spectroscopic and Computational Analysis of Chemical Pollutants Interactions on Steel - 18409

There is limited understanding of the scientific interaction of the chemical contaminants to DOE facility materials which can alter the stability of the materials, affecting the general safety. The resulting studies will have a direct impact towards developing an enhanced cost-effective decontamination method and understanding the negative effects caused by the chemical waste on the structural integrity of the solid surface in contact. First order kinematic models provide a better fit to the experimental data, implying that one layer of Hg adsorbs to the steel surface. Energy dispersive X-ray analysis confirmed that stainless steel samples are mainly composed of Fe, Ni, and Cr, and have a low carbon content. Objective: To determine the physiochemical interactions of Mercury (Hg) and Cesium (Cs) to steel and concrete using spectroscopic, adsorption and computational studies. To develop a multiscale simulation that shows the effects of adsorption and diffusion of alkali metals on the mechanical performance of steel alloys used in nuclear power plants. Approach: Molecular Dynamics (MD) simulations were used to compute the stress gradient generated in steel due to Hg adsorption. Finite element models were developed for simulating the effects of temperature and pressure in a diffusion analysis. Based on experimental data, one layer of Hg was used for the MD simulations. Material properties at the atomic level were determined from the MD simulations The stress gradient from the MD simulations is used as an input parameter in the FE simulation. Conclusions and Future Work: Computational methods such as MD and FE simulations were used to determine the effects of mercury adsorption in stainless steel samples. The adsorption process induces a stress gradient in the facility materials, which can affect the mechanical performance of facility materials under service. Tensile stresses help the diffusion process while compressive have the opposite effect. Temperature has a positive effect in the mass diffusion process. Future work will evaluate the effects of temperature on the material properties at the molecular level using both experimental and MD methods. Future work will evaluate the mechanical performance of facility materials at a wide range of environmental variables.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Influence of Emissions and Aqueous Processing on Particles Containing Black Carbon in a Polluted Urban Environment: Insights From a Soot Particle-Aerosol Mass Spectrometer

Inorganic and organic coatings on black carbon (BC) particles can enhance light absorption and affect atmospheric lifetimes of BC-containing particles and thus have significant implications for climate. To study the physical and chemical characteristics of atmospheric BC and BC-associated coatings, a soot particle-aerosol mass spectrometer was deployed during the winter of 2014–2015 in Fresno, a city located in the San Joaquin Valley of California, to selectively analyze BC-containing particles. Comparing soot particle-aerosol mass spectrometer measurements to those from the collocated single-particle soot photometer (SP2) and high-resolution aerosol mass spectrometer, we found that 17% of total submicrometer aerosol mass was associated with BC-containing particles, suggesting that a majority of the fine particles in Fresno contained no BC. Most BC-containing particles appeared to be associated with residential wood burning and vehicular traffic. These particles typically had a bulk-average mass ratio of coating to BC (R coat/rBC ) less than 2. However, during periods of persistent fog larger R coat/rBC values were observed, with the coatings primarily composed of secondary inorganic and organic components that likely resulted from aqueous-phase processing. Specifically, compared to periods with less fog, the BC coating increased in concentration and contained a larger fraction of nitrate and oxidized organic matter. The size distributions of BC and associated organic coating were generally centered around 300 nm in vacuum aerodynamic diameter. However, during foggy periods BC had an additional peak at ~400 nm and organics and nitrate displayed a prominent mode in the accumulation size range.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Chapter 3: Nanostructured Iron Oxide Hybrid Composites as Heterogeneous Fenton-Like Catalyst for Remediation of Persistent Organic Pollutants

In water purification research and technologies, heterogeneous Fenton catalysts are evolving as an excellent material recently. A summary of present research on heterogeneous Fenton/Fenton-like processes is essential for developing novel and high-efficiency organic wastewater treatment methods. In this chapter, we discussed the basics of Fenton reactions taking the example of iron oxides and their different composites, such as bimetallic composites, composites with carbon compounds, and Fe metal-organic frameworks (MOFs). The important operating parameters (solution pH, H 2 O 2 dosage, amount of catalyst used, and reaction temperature) in heterogeneous Fenton-like reactions are discussed. Strategies to increase the rate and activities of heterogeneous Fenton catalysts by using energy sources are presented. The mechanistic aspects of heterogeneous Fenton processes and reusability of catalysts along with their application in real wastewater plants are summarized and discussed. Finally, we concluded with the scope and future prospects of heterogeneous Fenton catalysis research to motivate the readers to construct novel and efficient heterogeneous Fenton/Fenton-like systems for industrial applications.

carbon composites↗
DOE OSTI2018

Synthesis of N-Guanidinium-Chitosan/Silica Hybrid Composites: Efficient Adsorbents for Anionic Pollutants

A new chitosan derivative, N-guanidinium chitosan acetate, has been synthesized by direct guanylation of chitosan by cyanamide in presence of scandium(III) triflate under mild acidic condition. Starting from this material, N-guanidinium chitosan/silica microhybrids were prepared via a sol gel method using 3-glycidoxypropyl trimethoxysilane as silica precursor. Both N-guanidinium chitosan and the N-guanidinium chitosan/silica hybrid were characterized by a range of analytical techniques such as {sup 29}Si/{sup 13}C solid state NMR, FT-IR, scanning electron microscopy, thermogravimetry and elemental analysis. The characterization of the chitosan/silica hybrid indicated that this material is a highly hydrophilic nanocomposite material containing an organic core and a highly condensed silica shell. The N-guanidinium chitosan/silica microhybrids display excellent adsorption properties for anionic dyes such as methyl orange (MO) with very high capacities up to 917 mg/g. The fixation of MO as anionic dye was investigated in detail as a function of contact time, pH and the MO concentration. The adsorption kinetics of MO on N-guanidinium chitosan/silica microhybrids was more accurately described by pseudo second-order model. Langmuir isotherm model exhibited a better fit with adsorption data than Freundlich isotherm model. This work opens new possibilities for using N-guanidinium chitosan as a reusable adsorbent for water purification. Graphical Abstract: .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Elimination of NO Pollutant in Semi-enclosed Spaces over Sodium-promoted Cobalt Oxyhydroxide (CoOOH) by Oxidation and Adsorption Mechanism

Low concentrations of NOx accumulated in air in semi-enclosed spaces is a severe health hazard, but its efficient removal at low cost is a grand challenge. A simple method in preparing CoOOH for low-concentration NO removal at room temperature is described here. The samples are synthesized by oxidizing Co(OH)2 to CoOOH with different oxidants (Na2S2O8, O2 and H2O2). Among them, CoOOH prepared by Na2S2O8 (Co-NS) shows remarkable performance for NO abatement, while the samples synthesized by and H2O2 (Co-HO) and O2 (Co-OG) have no apparent NO removal capacity. It is found that the Co-NS material contains a higher concentration of residual Na, which contributes to the decreased crystallinity and increased concentrations of surface active species (Co2+, active oxygen) for NO storage. Following NO storage, the material can be readily regenerated by water washing. The authors from East China University of Science and Technology acknowledge support from National Basic Research Program of China (2013CB933200), National Natural Science Foundation of China (21577035, 21577034), Commission of Science and Technology of Shanghai Municipality (15DZ1205305) and 111 Project (B08021). Aiyong Wang acknowledges the China Scholarship Council for the Joint-Training Scholarship Program with the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the US DOE under contract DE-AC05-76RL01830. FG is supported by the U.S. DOE/Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office.

NOx abatement, NOx adsorber, ambient temperature, ↗