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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
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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 …
Elucidation Of Active Site And Mechanism Of Metal Catalysts Supported In Nu-1000, Hafeera Shabbir
Elucidation Of Active Site And Mechanism Of Metal Catalysts Supported In Nu-1000, Hafeera Shabbir
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Advances in extraction of shale oil and gas has increased the production of geographically stranded natural gas (primarily consisting of methane (C1) and ethane (C2)) that is burned on site. A potential utilization strategy for shale gas is to convert it into fuel range hydrocarbons by catalytic dehydrogenation followed by oligomerization by direct efficient catalysts. This work focuses on understanding metal cation catalysts supported on metal-organic framework (MOF) NU-1000 that will actively and selectively do this transformation under mild reaction conditions, while remaining stable to deactivation (via metal agglomeration or sintering). I built computational models validated by experimental methods to …
Heterogeneous Catalysis And Biodiesel Forming Reactions, Dora Lopez
Heterogeneous Catalysis And Biodiesel Forming Reactions, Dora Lopez
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Biodiesel, defined as 'a fuel comprised of mono-alkyl esters of long chain fatty acids derived from vegetable oils or animal fats', is finding favor commercially worldwide. The objective of this study is to evaluate the use of solid catalysts for triglyceride transesterification and carboxylic acid esterification to produce biodiesel fuel.
Processes using mainly homogeneous alkali catalysts (such as NaOH, KOH, and methoxides) have been shown to be effective for biodiesel synthesis when dealing with virgin oil feedstocks. Use of acid catalysts (e.g., H2SO4) becomes important when processing low quality feedstocks that contain appreciable amounts of free fatty acids, such as …