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Atomistic Approach towards Sodium Citrate Role on Surface Properties of Silica and Clay Minerals
DownloadFall 2022
The use of sodium citrate as a secondary processing aid in combination with caustic significantly improved bitumen recovery, specifically in poor oil sands ores. The role of sodium citrate on wettability alteration of solid surfaces, benefiting bitumen liberation as well as improving bitumen...
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Development and Application of DFT Based Methods for Studying Transition Metal Oxide Catalysis
DownloadFall 2022
Transition metal oxides (TMOs) are commonly used as catalysts and catalyst supports in a variety of chemical transformations. Computational tools like density functional theory (DFT) are often used to study TMO catalyzed reactions, as TMOs are strongly correlated systems which require the...
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Fall 2024
Transition metal carbide catalysts (TMCs), particularly Molybdenum carbide (Mo2C), have emerged as a cost-effective and promising alternative to precious-metal-based catalysts (Pt, Ru) for the hydrodeoxygenation (HDO) of biomass-derived species, including bio-oil. However, low selectivity towards...