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 21 for “"thermodynamic approach"”.
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A Dynamic and Thermodynamic Approach to Complexity.
The problem of establishing the correct approach to complexity is a very hot and crucial issue to which this dissertation gives some contributions. This dissertation considers two main possibilities, one, advocated by Tsallis and co-workers, setting the foundation of complexity on a generalized, …
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Biotite oxidation: an experimental and thermodynamic approach
It is generally believed that oxidation of ferruginous biotites proceeds by the oxybiotite substitution: Fe²⁺ + OH = Fe³⁺ + 0²⁻ + ½H₂ The role of this mechanism as an equilibrium process in hydrothermal systems was studied for two compositions, annite, KFe₃,AISi₃O₁₀(OH)₂, and siderophyllite, …
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A molecular thermodynamic approach to phase partitioning of biomolecues and protein folding
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 1992.
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Non-equilibrium Thermodynamic Approach Based on the Steepest-Entropy-Ascent Framework Applicable across All Temporal and Spatial Scales
… 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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The Stochastic Dynamics of an Array of Micron Scale Cantilevers in Viscous Fluid
… current technologies. Using a recently proposed thermodynamic approach the hydrodynamic coupling of an array of cantilevers is quantified for precise experimental conditions through deterministic numerical simulations. Results are presented for an array of two readily available micron-scale …
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An investigation of eddy diffusivities of momentum and heat in circular pipes.
… analysis of the present work was based on a thermodynamic approach, using the method of inference. An analysis was made to find the macroscopic turbulence transport properties from the description of microscopic behaviour of entities of varying shape, size and velocity. Momentum and energy …
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Determination of the velocity of sound in reservoir fluids using an equation of state
… velocities in reservoir fluids. In this study, thermodynamic properties have been considered as first and second order derivative properties of the thermodynamic potentials. For this purpose, a statistical thermodynamic approach, with the Statistical Associated Fluid Theory – Boublik - Alder – …
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Tailoring the Geometry of Micron Scale Resonators to Overcome Viscous Damping
… fluid driven by Brownian motion. We use a thermodynamic approach to compute the equilibrium fluctuations in beam displacement that requires only deterministic calculations. From calculations of the autocorrelations and noise spectra we quantify the beam dynamics by the quality factor and …
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Evaluating the Thermal Stability of Nanocrystalline Ag-Cu Alloys
… at very low homologous temperatures. Luckily, a thermodynamic approach to stabilizing the microstructures of nanocrystalline metals by adding an alloying element shows great promise. Recent improvements in computational models have facilitated identification of alloy systems in which solute …
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BULK NANOSTRUCTURED STEELS FOR NUCLEAR REACTOR AND EXTREME ENVIRONMENT APPLICATIONS
… kinetics perspective as opposed to the existing thermodynamic approach of varying the Cr and Al content to reduce α’ phase separation. This study is also the first to systematically scrutinize the influence of grain size on irradiation and thermally induced α’ precipitation/phase separation in a …
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Modeling of Industrial Air Compressor System Energy Consumption and Effectiveness of Various Energy Saving on the System
… consumption evolution using the theoretical thermodynamic approach. Furthermore, pressure loss models of individual components along with pipe friction loss were included in the system overall efficiency calculation. The efficiency analysis methods and effectiveness approach discussed in this …
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Physical interpretation of coarse-grained bead-spring models of complex fluids
… has proven to be challenging with traditional approaches of energy minimization and perturbation in field theories. At the same time, simulations of highly coarse-grained particle-based models, such as lattice chain Monte Carlo and bead-spring simulations, have emerged as a promising …
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Vibrational Spectroscopy of Self-Forming Synthetic PEGylated Lipids and Nanovesicles
… our observations of phase transformations, a thermodynamic approach known as differential scanning calorimetry (DSC) has been applied and revealed a good agreement with the infrared and Raman spectroscopic results.
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Computational Analysis of Asphalt Binder based on Phase Field Method
… cracking is analyzed by PFM. The traditional approach to analyze crack propagation is Classic Fracture Mechanics first proposed by Griffith, which needs to clearly depict the crack front conditions and may cause complex cracking topologies. PFM describes the microstructure using a phase-field …
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Computational and Experimental Investigation of the Critical Behavior Observed in Cell Signaling Related to Electrically Perturbed Lipid Systems
… membrane permeabilization. Thus, a reductionist approach to understanding the influence of PEFs on cell signaling is proposed by limiting the study to membrane dynamics. To overcome the problem of investigating the entire PEF parameter space, this Ph.D. research proposes a first-principle …
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Effect of heat treatment on the microstructure of a 2CrMoNiWV rotor steel
… carefully examined and discussed. Theoretical thermodynamic equilibria predictions were calculated using MTDATA. A very good agreement was found between experimental results and theoretical predictions on those critical transformation temperatures and a good correlation of carbide evolution …
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Investigation of the relative conformational stability of protein mutants by molecular dynamics simulation
… 2B- rod domain of the IF. This study follows two approaches. First, MD simulation aims to reveal features of the dynamical behavior and the temperature dependent stability of IF segments. Secondly, a thermodynamic approach based on free energy calculations aims to reveal the energetic consequences …
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Energy and Thermodynamically Based Approaches for Analysis of Damage in Contact Problems
… is primarily based on the laws of energy and thermodynamics, and as such offers great advantages by unifying the analysis of damage in a variety of contact configurations. Crack nucleation is the first damage type analyzed. For this purpose, the line-contact fretting configuration is chosen. A …
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The alkaline hydrolysis of esters in aqueous-organic solvent mixtures. The effects of solvents and of the activity coefficients of reactants on the kinetics of the alkaline hydrolysis of methyl acetate in aqueous dioxan, aqueous dimethyl sulphoxide and aqueous diglyme (bis (2-methoxyethyl ) ether) mixtures as solvents.
… To interpret these results the approach adapted is to experimentally determine the activity coefficient of the ester (YE ) and the activity of the water (aH20', mechanistically, at least one molecule of water is involved in the rate-determining step) and then to use the …
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The driven and stochastic dynamics of micro and nanoscale cantilevers in viscous fluid and near a solid boundary
… techniques. Numerical simulations are a powerful approach to describe the dynamics of micro and nanoscale systems for the precise conditions of experiment. This thesis provides a numerical approach capable of addressing these inherent challenges and quantifies the dynamics of microscopic …
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