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 20 of 172 for “"KINETIC MODELS"”.
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Rigorous Results In Fluid And Kinetic Models
… physical systems and their respective PDE models. In the first chapter, we prove time decay of solutions to the Muskat equation, which describes a fluid interface between two incompressible, immiscible fluids with different densities. In \cite{JEMS} and \cite{CCGRPS}, the authors introduce …
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Shock formation properties of continuum and kinetic models
Continuum mechanics and kinetic theory are two mathematical theories with fundamentally different approaches to the same physical phenomenon. Continuum mechanics together with thermodynamics treat a substance (a gas or a fluid) as a continuous medium and describes the evolution of its macro …
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Contributions to mixing and hypocoercivity in kinetic models
… equation and the Kuramoto equation. These kinetic models come from very different areas of physics: the Vlasov–Poisson equation models plasmas and the Kuramoto equation models synchronisation behaviour. The stability was first described by Landau in 1946 and is a subtle behaviour, because …
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Generating Detailed Kinetic Models for Large Pyrolysis Systems
Detailed kinetic models have been able to accurately the predict the behavior of many complex chemical systems. The benefits of such models is numerous, ranging from being able to predict system behavior under conditions not amenable to experiments to the fact that the mere process of generating …
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Accelerated Bayesian experimental design for chemical kinetic models
… design with nonlinear simulation-based models is proposed. The formulation accounts for uncertainty in model parameters, observables, and experimental conditions. Straightforward Monte Carlo evaluation of the objective function - which reflects expected information gain (Kullback-Leibler …
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Bayesian Inference and Experimental Design of Combustion Kinetic Models
In combustion kinetic model calibration, researchers usually use experimental data to reduce the uncertainty of kinetic parameters, and Bayesian inference is the most common approach to do inverse calibration. This thesis explores two interconnected aspects of Bayesian approaches in the context of …
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Data-driven chemical kinetic models of operationally relevant jet fuels
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2024-08-01
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Highly Constrained Kinetic Models for Quantitative Single-Cell Gene Expression Analysis
… dissertation investigates transcription from a kinetic biochemical perspective, leveraging steady-state and kinetic gene data. I hypothesize that single-cell variation can be utilized to infer dynamic mechanisms of transcriptional regulation. I employ single-cell RNA sequencing (scRNA-seq) and …
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Efficient development and uncertainty propagation of aviation fuel chemical kinetic models
… for the rapid development of reduced chemical kinetic mechanisms for jet fuels, with a focus on sustainable aviation fuels (SAFs). The framework is designed to balance model accuracy, computational efficiency, and experimental requirements for quick development times and application in complex …
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Kinetic models for the Pt/CeO₂ catalysed water-gas shift reaction
… and an optimised fuel processor, the reaction kinetics taking place must be understood and quantified. In this study, kinetic measurements were conducted at 2 bar(a) and across a temperature range of 270 - 300 °C using 16 parallel fixed bed reactors (high throughput experimentation) over a 0.5 …
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Automatic Generation of Chemical Kinetic Models for Biofuel Oxidation and Pyrolysis
… combustion and pyrolysis chemistry with chemical kinetic models allows for high-throughput evaluation of their performance under various conditions. These models, typically comprising hundreds of species and thousands of elementary reactions, provide quantitative predictions for the investigated …
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Enabling automatic generation of accurate kinetic models for complicated chemical systems
… decades have seen much progress in predictive kinetic modeling. Reaction mechanisms have shown increased predictive capability, providing key insights into chemical transformations under conditions of interest. Coupled and integrated in multiscale-multiphysics models, reaction mechanisms help …
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Automatic Generation of Chemical Kinetic Models including Macromolecules in Multiphase Systems
Detailed chemical kinetic models are indispensable tools for unraveling the complexities of industrial and environmental chemistry systems. Many important industrial and environmental chemistries involve thousands of species and hundreds of thousands of complex pathways, which are difficult to …
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Biochemically realistic MD and kinetic models of the Rhodobacter sphaeroides bc1 complex
… wild type and ISP tether mutants. The current kinetic model provides a kinetic and thermodynamic understanding of the rate-limiting reaction, and associated partial processes that lead to successive turnovers. Since both bacterial and mitochondrial complexes have essentially the same catalytic …
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Self-assembly of the human papillomavirus capsid: light scattering studies and kinetic models
Includes bibliographical references (pages 133-135).
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Application of a jet fuel database in the development of chemical kinetic models
Submission published under a 24 month embargo labeled 'U of I Access', the embargo will last until 2026-12-01
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Integrated pressure-dependence in automated mechanism generation : a new tool for building gas-phase kinetic models
… reactions. Building complete, explicit chemical models by-hand for these systems is exceedingly difficult. The bias and intuition of the developers figure strongly in the resultant mechanism, causing important but unanticipated pathways to be ignored, and useless pathways to be included. Thus …
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Insights into formation of semiconductor nanocrystals : from first principles calculations to kinetic models of nucleation and growth
Over the past decade the synthesis of colloidal semiconductor nanocrystals of diverse shapes and sizes has sparked tremendous interest in both the industrial and scientific communities. Much of the work thus far has been done by extensive trial-and-error optimization of the chemistry to produce the …
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