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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 …
Numerical Modeling And Isotope Tracers To Investigate Karst Biogeochemistry And Transport Processes, Admin Husic
Numerical Modeling And Isotope Tracers To Investigate Karst Biogeochemistry And Transport Processes, Admin Husic
Theses and Dissertations--Civil Engineering
This dissertation investigated the physical and biogeochemical processes affecting the source, fate, and transport of sediment, carbon, and nitrogen within a highly-coupled fluviokarst system. Elemental and isotopic datasets were collected at surface and subsurface locations for both dissolved and particulate contaminant phases, new methodology regarding data collection was presented to the karst research community, an in-cave sediment transport model coupling physical transport with elemental and isotopic mass balances of carbon and nitrogen was formulated, pathway and process control on nitrate leaching from agricultural karst watersheds was assessed, and nitrate mobilization and fractionation were modeled using high frequency storm sampling and …