Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 31 for “"Oxidation mechanism"”.
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Sulphur dioxide oxidation mechanism on Pt surfaces : a DFT study
… no absolute conclusions regarding the HyS cycle mechanism have thus far been made. Since little is still understood regarding the fundamental description of the HyS cycle, and in particular, the interaction between SO2 and H2O on the Pt surface, this dissertation fundamentally investigates the …
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Development, uncertainty quantification, and reduction of a dimethyl sulfide oxidation mechanism
… natural source of sulfur in the atmosphere. The oxidation products of DMS, such as methanesulfonic acid and sulfuric acid, can contribute to cloud condensation nuclei. Studying the oxidation mechanism of DMS will help improve our modelling of the natural processes that contribute to the Earth's …
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A study of the oxidation mechanism of nickel around the Curie point
Call number: LD2668 .T4 1954 A5
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A study of the oxidation mechanism of nickel around the Curie point
Call number: LD2668 .T4 1954 A5
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A DOAS Study on the Oxidation Mechanism of Aromatic Hydrocarbons under Simulated Atmospheric Conditions
… es das Verständnis der OH-Radikal initiierten Oxidation aromatischer Kohlenwasserstoffe (Benzol, Toluol, p-Xylol (BTX) und 1,3,5-Trimethylbenzol (TMB)) zu verbessern. Diese Mechanismen gelten als Hauptunsicherheitsfaktoren in Chemie-Modellen zur Erfassung der Photooxidantienbildung aus …
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Exploring the Quinol Oxidation Mechanism at the Qo-Site of Bc1 Complex Through Site-Directed Mutagenesis
The backbone amide groups of FL132 and FC134 give additional electron withdrawing force to the Rieske-type [2Fe-2S] cluster and the residues in the 132-134 positions play roles in anchoring the ISP to the surface of the Qo-pocket. FG133 has unique ϕ/psi angles that restrict the positions of …
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Mechanistic, sensitivity, and uncertainty studies of the atmospheric oxidation of dimethylsulfide
… in the atmosphere by a complex gas-phase mechanism involving many species and reactions. The resulting oxidized sulfur-bearing products are hygroscopic and interact with aerosols through condensation and secondary aerosol formation. Predictions of the impacts of DMS chemistry on aerosols …
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Theoretical investigation of solar energy conversion and water oxidation catalysis
Solar energy conversion and water oxidation catalysis are two great scientific and engineering challenges that will play pivotal roles in a future sustainable energy economy. In this work, I apply electronic structure theory and molecular dynamics simulation methods to understand some of the …
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In-situ spectroelectrochemical surface studies of fundamental fuel cell catalysis
… fuel cell relevant systems. Primarily, ethanol oxidation was studied due to the potential of ethanol as an easily-transported and manufactured fuel with a higher molecular energy density of 12 electrons per molecule. Additionally, the reaction intermediate carbon monoxide was studied in-depth to …
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Studio e sviluppo di un motore a 2 tempi diesel veloce di nuova concezione per applicazioni automobilistiche
… chemistry approach, coupled with a comprehensive oxidation mechanism for diesel oil surrogate and the modeling of turbulence/chemistry interaction through the PaSR (Partially Stirred Reactor) model. A four stroke automobile Diesel engine featuring a very close bore size is taken as a reference, …
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Developing fundamentally based models for autoignition
… knowledge of low temperature (< 1000K) oxidation. The reactions of peroxy radical RO₂ are hydroperoxyalkyl radical .QOOH are especially problematic. In the first part of this thesis we compute rate parameters for three important reaction pathways from the .QOOH: .QOOH cyclization to form …
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A Computational Approach to Efficient Electrode Material Design for Electrochemical Oxidation of PFAS
… treatment technologies, electrochemical advanced oxidation processes (EAOP) have shown great promise for PFAS remediation in water. However, the reaction mechanisms are inadequately understood, which hinders the development of design principles for efficient electrode materials. This thesis …
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Aqueous reactions of ozone with primary aromatic amines
… The experimental data showed that the reaction mechanisms for the formation of these NPACs mainly, but not exclusively, involve free radicals initiated by hydroxyl radical. Addition of mannitol, a $\cdot$OH scavenger, in most cases, significantly reduced NPACs formation. The actual reduction in …
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Chemistry of carbonaceous aerosols : studies of atmospheric processing and OH-initiated oxidation
… system was developed to probe the OH-initiated oxidation of organic and soot thin films as atmospheric aerosol surrogates. Mass loss (volatilization) from the films was observed upon exposure to OH radicals in the presence of 02 at 295 K and 100 Torr. The loss rate was found to be linearly …
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Electrochemical Alkene Epoxidation Using Water as the Oxygen Source
Alkene epoxidation is a crucial chemical functionalization reaction that produces key chemical intermediates for the synthesis of various commercial end products. The current methods of producing epoxides are associated with a number of challenges, including the use of energy-intensive and …
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Gold-nickel surface alloy chemistry with oxygen and carbon monoxide
Key to low temperature carbon monoxide oxidation on gold-nickel random surface alloys is molecularly (rather than atomically) adsorbed oxygen, and weakly bound carbon monoxide. To characterize these adsorbates, saturation coverages of each diatomic on Au-Ni(111) held at 80 K are separately measured …
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Mechanism of carbon monoxide oxidation at the active site [Ni-4Fe-5S] cluster of carbon monoxide dehydrogenase from Carboxydothermus hydrogenoformans
… mu2S. This is the assumed site, where the oxidation of CO occurs. However, cluster C in other catalytically active Ni-Fe CODHs, from Rhodospirillum rubrum, Moorella thermoacetica, and recombinant CODHIICh expressed in Escherichia coli, for example, lack the ¥ì2S bridging Ni and Fe and …
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Measurement of Pernitric Acid, Hydrogen Chloride, and Sulfur Dioxide during the Intercontinental Chemical Transport Experiment Campaign
… are relatively well described but that the oxidation mechanism needs refinement.
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Using Vibrational Laser Spectroscopy to Study Biologically Relevant Interfaces
… chemical structure and conformation, to probe oxidation in cell membranes, both in whole cells and monolayer mimics, thereby yielding a much deeper understanding of the oxidation mechanism due to reactive oxygen species (ROS) in physiological systems. Furthermore, some limitations and …
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Surface characterization and adhesion of plasma-modified polyimides
… to react with the polyimides via a fragmentation/oxidation mechanism, forming a loosely attached layer composed of low molecular weight polymer chains. The effect of ammonia plasma is postulated to be imide ring-opening resulting in the formation of amide functional groups. The 180° peel test was …
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