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Computationally-Driven Insights Into The Ligand Environments Of Materials For Catalysis And Separations, Stephen Vicchio
Computationally-Driven Insights Into The Ligand Environments Of Materials For Catalysis And Separations, Stephen Vicchio
All Dissertations
Designing new catalytic and sorption materials is necessary to limit global temperature rise below 1.5 ◦C by 2050, while also meeting global energy demands. Climate change and energy production are not mutually exclusive; global population growth has direct impacts on global energy demands and climate. In both catalysis and adsorption applications, new technologies are needed to address these challenges. Catalysis can provide alternate, low-energy routes for converting low-value gases into higher-value chemical commodities, thus altering our current energy production. Likewise, new sorption materials can capture previously emitted CO2 from decades of energy production from fossil fuels, thus helping to …
The Effect Of Moox Reducibility On Its Activity For Anisole Hydrodeoxygenation, Chantal Walker
The Effect Of Moox Reducibility On Its Activity For Anisole Hydrodeoxygenation, Chantal Walker
Electronic Thesis and Dissertation Repository
Catalytic hydrodeoxygenation (HDO) is a process for upgrading crude bio-oil as it has a high oxygen content which causes several undesirable properties. Current methods for HDO use sulfided NiMo and CoMo or supported noble metal catalysts which hydrogenate aromatic rings, leading to less valuable products and increasing the hydrogen consumption. Using 10 wt. % MoO3 supported on ZrO2, TiO2, γ-Al2O3, SiO2 and CeO2, we investigated the atmospheric HDO of anisole, a model compound, at 350 °C. All catalysts achieved C – O bond cleavage, preserving the aromatic ring. In situ UV-Vis spectroscopy showed a peak corresponding to intervalence charge transfer …