Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 17 of 17 for “"Kinetics modeling"”.
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Cluster kinetics modeling of glassforming materials
… is developed. The model is based upon cluster kinetics, reaction-like mechanisms describing interactions between glassformer monomers and their clusters. Mathematical solutions of population balance equations for monomer and cluster lead to molar concentrations in terms of rate coefficients of …
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Surface kinetics modeling of silicon oxide etching in fluorocarbon plasmas
… physical model to describe the surface kinetics including simultaneous etching and deposition. A novel surface kinetic model, the translating mixed-layer (TML) model, has been developed. ABACUSS II, a modeling environment and simulator was used for solving differential algebraic …
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Kinetics modeling and 3-dimensional simulation of surface roughness during plasma etching
… match between the profile simulation and the kinetics modeling results verified the capability of incorporating complex chemical processes into the 3-D simulator. The angular dependence on etching yield was modeled based upon the mixing layer kinetics model. All the rate coefficients fitted …
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Accelerating Atmospheric Modeling Through Emerging Multi-core Technologies
… is bewildering program complexity. Atmospheric modeling is a grand-challenge problem that could make good use of these architectures if they were more accessible to the average programmer. To that end, software tools and programming methodologies that greatly simplify the acceleration of …
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An experimental study of OH uptake by surfaces of tropospheric importance under dry and wet conditions
… Evidence for gas-phase HC1, supplemented with kinetics modeling and experiments on heterogeneous 03 reactivity strongly suggest that C12, sole product of the heterogeneous reaction, transforms to HCI in the presence of H radicals.
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Nonlinear Mechanical and Actuation Characterization of Piezoceramic Fiber Composites
… related topics, such as manufacturing, cure kinetics modeling and linear thermoelasticity of the Macro Fiber Composite, are covered in the appendices.
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Minimizing uncertainty in cure modeling for composites manufacturing
… during cure. Therefore, the validity of a cure kinetics model is an underlying concern when combining several material models to describe a part forming process, as is the case for process modeling. The goals of this work are to identify sources of uncertainty in the decision-making process from …
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High-temperature defect engineering for silicon solar cells : predictive process simulation and synchrotron-based microcharacterization
… To address the need for predictive process modeling focused on the impact of impurities, the Impurity-to-Efficiency kinetics simulation tool is developed to predict solar cell efficiency from initial iron contamination levels. The modeling effort focuses on iron because it is known to limit …
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An Investigation Of The Autoignition Of Power Generation Gas Turbine Fuel Blends Using A Design Of Experiments Approach
… the Box-Behnkin factorial design methodology. Kinetics modeling was used to obtain numerical results for this matrix of fuel blends, setting the conditions at a temperature of 800 K and pressure of 17 atm. A further and successful attempt was made to reduce the 41-test matrix to a 21-test …
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Theoretical Modeling of Radiation-driven Atomic Kinetics of a Neon Photoionized Plasma
We report on a theoretical study on atomic kinetics modeling of a photoionized neon plasma at conditions relevant to laboratory experiments performed at the Z-machine in Sandia National Laboratories. We describe an atomic kinetics model and code, ATOKIN, that was developed and used to compute the …
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Supercritical Water Gasification of Biomass
… divided into two main sections: mathematical modeling and experimental activities. The first section reports three different modeling approaches for SCWG. In thermodynamic equilibrium modeling, a two-phase thermodynamic equilibrium model was built, enabling to predict products composition as a …
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Redox kinetics study for chemical-looping combustion, water and CO₂ splitting using nickel and cerium-based oxygen carrier
… Preliminary simulation identified OC redox kinetics and material characteristics as keys to the success of CL technology. This thesis examines the fundamentals of the reduction and oxidation (redox) processes with the aim of achieving fast and reliable reaction kinetics for CL applications. …
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CO2 reduction over noble metal/carbon nanotube catalyst
Carbon nanotube-based Pt/Pd and Ru catalysts, independently synthesized by a microwave reaction technique, show good catalytic activity for CO2 reduction in the contexts of dry reforming (DR) of methane (CH_4 + CO_2 -> 2CO + 2H_2) and reverse water gas shift (RWGS) (H2 + CO_2 -> CO + H_2O). …
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Molecular weight growth pathways in fuel-rich combustion
… plug-flow reactor (JSR/PFR), development of kinetics modeling methods, and the development of a kinetics model of soot formation. The JSR/PFR has been used extensively in the past to investigate P AH and soot formation, providing much data for concentrations of light-gas species, P AH, and …
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Kinetic modeling frameworks for the chemical recycling of polyolefins
… This dissertation develops a set of kinetic modeling frameworks for the chemical recycling of polyolefins. First, we examine mass-transfer limits using a diffusion–reaction model that describes how processive catalysts perform inside stagnant and stirred polymer melts. The core of the …