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 26 for “"Non-Equilibrium Thermodynamics"”.
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Contributions to the Theory of Non-Equilibrium Thermodynamics
… a generalization of the current theory of non-equilibrium thermodynamics. The current theory was presented in 1953 by Onsager and Machlup, its mathematical context goes back to the 1930 paper of Uhlenbeck and Ornstein on Brownian motion, and the physical foundations for that approach go …
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Lithium-ion battery modeling using non-equilibrium thermodynamics
… focus of this thesis work is the application of non-equilibrium thermodynamics in lithium-ion battery modeling. As the demand for higher power and longer lasting batteries increases, the search for materials suitable for this task continues. Traditional battery modeling uses dilute solution …
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Non-equilibrium thermodynamics in porous media : battery degradation, and sorption and transport in porous materials
Porous media offer many interesting problems in physics and engineering due to the interaction of phase transitions, surface effects and transport. In this thesis I examine two such problems: the degradation of lithium-ion batteries, and sorption and transport of fluids in porous materials. The …
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Non-Equilibrium Thermodynamics of porous media filled by a fluid flow and of rigid bodies with an internal tensorial field influencing the thermal phenomena.
… Parts, every one dedicated, in the framework of non-equilibrium thermodynamics to the study of the behavior of fluid-saturated porous media and of rigid bodies with an internal tensorial field influencing the thermal phenomena, respectively. Furthermore, three Appendices are present, that clarify …
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Quantitative biological studies at cellular and sub-cellular level
… Crooks fluctuation theorem (a recent finding in non-equilibrium thermodynamics) at the mesoscopic level. In the sub-cellular studies, the cytoplasmic viscoelastic coefficients of mouse oocytes were determined using magnetic beads trapped into their cytoskeletal mesh. We found that …
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Localization and instability in sheared granular materials: role of friction and vibration
… have not been fully explored. Here, we use a non-equilibrium thermodynamics model, the Shear Transformation Zone theory, to investigate the dynamics of strain localization and its connection to stability of sliding in sheared, dry, granular materials. We consider frictional and frictionless …
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Electrochemical and Transport processes in Ion Intercalation materials
… insertion. The proposed criterion predicts the non-equilibrium phase morphology during ion insertion, which is validated by phase-field simulations of single Li𝑥CoO2 (LCO) particles, in situ optical imaging of single Li𝑥C6 (graphite) particles undergoing transitions between stage 1 (𝑥 = 1) and 2 …
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A first principles model and numeric solution methods for a system of self-organizing conductors
… have long been studied in the context of non-equilibrium thermodynamics, particularly in the linear regime, due to both their theoretical convenience and their experimental accessibility. Of more recent interest is the behaviour of self-organizing electrical networks which necessarily …
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Catalytic Conversion of Carbon-Containing Compounds into Valuable Chemicals and Fuels
… dioxide activation. Second, we developed a non-equilibrium thermodynamics approach to calculate energies of activation at nite temperatures, based on the Bronsted-Evans-Polanyi principle and the Nudged Elastic Band method. Third, we developed an approach to numerically compute heat …
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Thermophoresis in Colloidal Suspensions
… motion of colloids in a temperature gradient, a non-equilibrium phenomenon also known as thermophoresis. Chapter 1 gives an introduction to the existing applications and basic concepts of thermophoresis and outlines some of the experimental and theoretical challenges that serve as a motivation …
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Diffusiophoresis in complex and confined fluids
… of theory and computer simulations. We use non-equilibrium thermodynamics, starting from the entropy production to build our theoretical framework aiming to discuss some subtleties present in previous works. As the first case of study, we perform non-equilibrium molecular dynamics to analyse …
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Flux-split algorithms for flows with non-equilibrium chemistry and thermodynamics
… flow situations, when finite-rate chemistry and non-equilibrium thermodynamics greatly affect the physics of the problem. Two flux-vector-split algorithms, of the Steger-Warming and of the Van Leer type, and one flux-difference-split algorithm of the Roe type are established and utilized for the …
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Topics on spatially high-order accurate methods and preconditioning for the Navier-Stokes equations with finite-rate chemistry
… are presented. The two-dimensional essentially non-oscillatory (ENO), k-exact, and dimensionally split ENO reconstruction operators are discussed and compared in terms of reconstruction and solution accuracy and computational cost. Standard variable extrapolation methods are included for …
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Influence of Operational Characterization Methods on DOM Physicochemical Properties and Reactivity with Aqueous Chlorine
… transport was theoretically described using non-equilibrium thermodynamics and experimentally demonstrated for AMICON® YC/YM series UF membranes. Mass balances on DMM fraction constituents in untreated and previously coagulated natural waters indicated that quantitative recovery (100 ± 2%) of …
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A Computational Framework for Long-Term Atomistic Analysis of Solute Diffusion in Nanomaterials
… the evolution of mass transport process with a non-equilibrium thermodynamics model that governs lattice deformation and supplies the requisite driving forces for kinetics. Compared to previous atomistic models, e.g., accelerated Molecular Dynamics and on-the-fly kinetic Monte Carlo, DMD allows …
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Steepest-Entropy-Ascent Quantum Thermodynamic Modeling of Quantum Information and Quantum Computing Systems
… evolves and uses steepest-entropy-ascent quantum thermodynamics (SEAQT) to predict the evolution of system state. SEAQT asserts that, at any instant of time, the system state evolves such that the rate of system entropy change is maximized while conserving system energy. With this principle, the …
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Application of the principle of minimization of entropy in the achievement of steady-state solutions for dynamic systems
… of steady-state systems using principles of thermodynamics in conjunction with Systems Dynamics simulation techniques. Evaluation of Forrester’s World Dynamics model shows it to degenerate in accordance with the dictates of the Second Law of Thormodync.mics. Two fundamental policy criteria …
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Metal Hydride Heat Pumps for Thermal Management of Devices
… at all temperatures by adjusting the hydrogen equilibrium pressure. Currently, there is knowledge of heat pumps of large sizes, but we do not have data for small/miniature heat pump devices for either heating or cooling. The motivation for this work was to develop MHHPs for small scale …
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Gas Sorption and Swelling in Glassy Polymers - Combining Experiment, Phenomenological Models and Detailed Atomistic Molecular Modeling
… werden. Für alle Packungsmodelle wurden großkanonische Monte Carlo (GCMC) Simulationen durchgeführt, die jeweils zu Konzentrations-Druck-Isothermen führten. Experimentelle Daten und Simulationsergebnisse wurden in Bezug auf drei theoretische Modelle (Dual Mode Sorption' Model (DM), Site …
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Non-equilibrium Thermodynamic Approach Based on the Steepest-Entropy-Ascent Framework Applicable across All Temporal and Spatial Scales
In this research, a first-principles, non-equilibrium thermodynamic-ensemble approach applicable across all temporal and spatial scales is developed based on steepest-entropy-ascent quantum thermodynamics (SEAQT). The SEAQT framework provides an equation of motion consisting of both reversible …
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