Engineering Commons^™

Battery Design, Construction, And Characterization For Small Motor Use Focusing On Anodic Zinc For Electron Flow, Amber Veach

Chemical Engineering Undergraduate Honors Theses

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This thesis explores the construction, characterization, and application of anodic zinc batteries for powering a small electric motor for the ChemE Car competition. Two zinc galvanic cell batteries were studied: zinc-carbon and zinc-air batteries. Prototype batteries were constructed and tested for voltage, amperage, and power production. In the zinc-carbon trials, a 3:1 mixture of manganese dioxide and graphite was determined to be the best cathode for power production. The size which allowed for sufficient power while maintaining the smallest footprint on the car was a zinc can six cm tall and two cm in diameter. Analysis of paper zinc-air battery …

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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

Theses and Dissertations--Mechanical Engineering

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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 …

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Kinetic Modeling Of Catalytic Aerogels, Yi Cao

Honors Theses

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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 …

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Parametric Study Of Reaxff Simulation Parameters For Molecular Dynamics Modeling Of Reactive Carbon Gases, Benjamin David Jensen

Dissertations, Master's Theses and Master's Reports - Open

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Abstract

The development of innovative carbon-based materials can be greatly facilitated by molecular modeling techniques. Although the Reax Force Field (ReaxFF) can be used to simulate the chemical behavior of carbon-based systems, the simulation settings required for accurate predictions have not been fully explored. Using the ReaxFF, molecular dynamics (MD) simulations are used to simulate the chemical behavior of pure carbon and hydrocarbon reactive gases that are involved in the formation of carbon structures such as graphite, buckyballs, amorphous carbon, and carbon nanotubes. It is determined that the maximum simulation time step that can be used in MD simulations with …

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