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Full-Text Articles in Mechanical Engineering
Carbon Oxidation At The Atomic Level: A Computational Study On Oxidative Graphene Etching And Pitting Of Graphitic Carbon Surfaces, Simon Schmitt
Carbon Oxidation At The Atomic Level: A Computational Study On Oxidative Graphene Etching And Pitting Of Graphitic Carbon Surfaces, Simon Schmitt
Theses and Dissertations--Mechanical Engineering
In order to understand the oxidation of solid carbon materials by oxygen-containing gases, carbon oxidation has to be studied on the atomic level where the surface reactions occur. Graphene and graphite are etched by oxygen to form characteristic pits that are scattered across the material surface, and pitting in turn leads to microstructural changes that determine the macroscopic oxidation behavior. While this is a well-documented phenomenon, it is heretofore poorly understood due to the notorious difficulty of experiments and a lack of comprehensive computational studies. The main objective of the present work is the development of a computational framework from …
Kinetic Modeling Of Catalytic Aerogels, Yi Cao
Kinetic Modeling Of Catalytic Aerogels, Yi Cao
Honors Theses
As pollution becomes an increasing concern globally, strict regulations have been set on vehicle pollutant emissions. The three-way catalytic converter is capable of converting toxic emissions such as carbon monoxide, unburned hydrocarbons and nitrogen oxides to less hazardous waste such as carbon dioxide, water, and nitrogen. Current catalysts employ platinum group metals, which are expensive and environmentally damaging to mine. Catalytically-active aerogels such as Co-Al, Cu-Al and V-Al aerogels have shown promise as alternatives to these metals. The work presented here adapts and extends a global kinetic model which predicts the conversion of hydrocarbons and carbon monoxide on platinum catalyst …