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Showing 1 to 2 of 2 for “"Surface chemistry--Mathematical models"”.
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Density Functional Theory modeling of heterogeneous reactions of hydrocarbon intermediates on silicon carbide: surrogate kinetic model development for Chemical Vapor Infiltration
… needed to be understood completely. Modeling surface reactions of decomposition on the substrate using Density Functional Theory is the key point of current research. By focusing on the adsorption, reaction, and desorption mechanisms that control SiC development, our method incorporates …
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Modeling reactive rarefied flows in Chemical Vapor Infiltration using Direct Simulation Monte Carlo
… quality and rate are strongly influenced by surface reactions, depending on temperature, gas flow, and reactor pressure. This study applies a computational model to better understand rarefied gas behavior and surface chemistry during CVI. We use the Direct Simulation Monte Carlo method to …