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Articles 1 - 5 of 5
Full-Text Articles in Physics
Molecular Insights Into The Redox Of Atmospheric Mercury Through Laser Spectroscopy, Rongrong Wu Cohen
Molecular Insights Into The Redox Of Atmospheric Mercury Through Laser Spectroscopy, Rongrong Wu Cohen
Theses and Dissertations
The widespread pollution of mercury motivates research into its atmospheric chemistry and transport. Gaseous elemental mercury (Hg(0)) dominates mercury emission to the atmosphere, but the rate of its oxidation to mercury compound (Hg(II)) plays a significant role in controlling where and when mercury deposits to ecosystems. Atomic bromine is regarded as the main oxidant for Hg(0) oxidation, known to initiate the oxidation via a two-step process in the atmosphere – formation of BrHg (R1) and subsequent reactions of BrHg with abundant free radicals Y, i.e., NO2, HOO, etc. (R2), where the reaction of BrHg +Y could also lead to the …
Enabling Rapid Chemical Analysis Of Plutonium Alloys Via Machine Learning-Enhanced Atomic Spectroscopy Techniques, Ashwin P. Rao
Enabling Rapid Chemical Analysis Of Plutonium Alloys Via Machine Learning-Enhanced Atomic Spectroscopy Techniques, Ashwin P. Rao
Theses and Dissertations
Analytical atomic spectroscopy methods have the potential to provide solutions for rapid, high fidelity chemical analysis of plutonium alloys. Implementing these methods with advanced analytical techniques can help reduce the chemical analysis time needed for plutonium pit production, directly enabling the 80 pit-per-year by 2030 manufacturing goal outlined in the 2018 Nuclear Posture Review. Two commercial, handheld elemental analyzers were validated for potential in situ analysis of Pu. A handheld XRF device was able to detect gallium in a Pu surrogate matrix with a detection limit of 0.002 wt% and a mean error of 8%. A handheld LIBS device was …
Characterization Of Environmental Conditioning Of Lithium Hydride Using Spectroscopy And Machine Learning, Ryan E. Pinson
Characterization Of Environmental Conditioning Of Lithium Hydride Using Spectroscopy And Machine Learning, Ryan E. Pinson
Theses and Dissertations
Lithium compounds such as lithium hydride (LiH) and anhydrous lithium hydroxide (LiOH) have various applications in industry but are highly reactive when exposed to moisture and CO2. These reactions create new molecular forms, including compounds such as lithium oxide (Li2O), lithium hydroxide monohydrate (LiOH ·H2O), and lithium carbonate (Li2CO3). These new compounds degrade the effectiveness in applications using these compounds. The negative effects induced by new lithium compounds creates a need for the ability to characterize the in-growth of such compounds. To study these in-growths, this work will present environmental …
Atomistic Simulation Of Na+ And Cl- Ions Binding Mechanisms To Tobermorite 14Å As A Model For Alkali Activated Cements, Ahmed Abdelkawy
Atomistic Simulation Of Na+ And Cl- Ions Binding Mechanisms To Tobermorite 14Å As A Model For Alkali Activated Cements, Ahmed Abdelkawy
Theses and Dissertations
The production of ordinary Portland cement (OPC) is responsible for ~8% of all man-made CO2 emissions. Unfortunately, due to the continuous increase in the number of construction projects, and since virtually all projects depend on hardened cement from the hydration of OPC as the main binding material, the production of OPC is not expected to decrease. Alkali-activated cement produced from the alkaline activation of byproducts of industries, such as iron and coal industries, or processed clays represents a potential substitute for OPC. However, the interaction of the reaction products of AAC with corrosive ions from the environment, such as Cl-, …
Periodic Trends In The Infrared And Optical Absorption Spectra Of Metal Chalcogenide Clusters, Alain Ward
Periodic Trends In The Infrared And Optical Absorption Spectra Of Metal Chalcogenide Clusters, Alain Ward
Theses and Dissertations
We have investigated the Optical absorption, Infrared spectra, Binding Energies, and various other cluster properties to determine the existence of periodic trend for Transition Metal Chalcogenide Clusters ligated with CO ligands. We were motivated to answer the question of whether periodic behavior can be observed in properties of octahedral metal-chalcogenide clusters. We have used the Amsterdam Density Functional code to calculate the electronic structure of Transition Metal Chalcogenide Clusters using gradient-corrected density functional theory. We determined the existence of several periodic trends in properties of octahedral Transition Metal Chalcogenide Clusters TM6Se8(CO)6. To investigate these …