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 85 for “"state theory"”.
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Testing alternative stable state theory at Afromontane and Milkwood forest-fynbos ecotones
Alternative stable state (ASS) and ‘sharpening switch' theories provide a conceptual framework within which to understand abrupt ecotones between two (or more) contrasting ecosystem configurations. ASS theory is more suited for explaining ecosystems that exist within the same abiotic conditions. In …
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Liquid State Theory of Equilibrium Structure and Thermodynamics of Block Copolymer Melts and Solutions
A liquid state integral equation theory has been developed to study the thermodynamics and structures of fluids of multiblock polymers both with nonpolar and strongly attracting groups. The physical clustering/aggregation process is probed via the calculation of small and wide angle scattering …
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Liquid state theory of the local and long wavelength structure and thermodynamic properties of block copolymer liquids
… melts. First, the formal extension of the liquid state ""polymer reference interaction site model"" (PRISM) theory to AB copolymers is presented. Within a simple ""symmetric"" model, analytical and numerical predictions are made for the fluctuation stabilization, peak scattering wavevector, and …
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Phase Behavior, Fluid Structure, and Slow Dynamics in Polymer -Colloid Mixtures: Novel Liquid State Theory and Its Applications
… length scales of D-10D in the fluid phase. The theory captures the non-monotonic changes in the local cage order parameter S(k* ≈ 7 D) with increasing polymer concentrations. Accurate, no adjustable parameter predictions of the fluid structure are combined with a single particle version of …
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YOU'RE THERE IN THE TIME SLIP: A HERMENEUTIC EXPLORATION OF AESTHETIC EXPERIENCE IN MUSICKING THROUGH THE LENS OF MIHALYI CSIKZENTMIHALYI'S FLOW STATE THEORY
… how do these align with Csikszentmihalyi's Flow State Theory? Finally, does Csikszentmihalyi's Flow State Theory provide a functional framework for aesthetic experience; how does the employment of this resolve the issues of communication; and does this allow for a clearer understanding of …
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Oil, politics, society and the state in the middle east: Enduring authoritarianism in Iran and Saudi Arabia
… it analyzes and critiques the rentier state theory and argues that oil is one of several other, arguably more consequential, factors (political structures, religion, history/actions of external actors, and state mechanisms and strategies) that account for the persistence of …
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High Pressure Nmr Studies of the Dynamic Structure of Liquids
… proof of the breakdown of transition state theory, thus confirming recent predictions of stochastic models for isomerization reactions in condensed phases. In these models it is proposed that there are dynamical effects on isomerization because the reaction coordinate is coupled to the …
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A multiscale model for the oxide ion conducting and proton conducting solid oxide cells
… a multiscale model combining density functional theory calculations, transition state theory and continuum modeling to elucidate the essential reaction steps and predict the performance of the device. Density functional theory calculations are used to obtain the free energy barriers for different …
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Constitutive modelling of the behaviour of clays under cyclic loading
… of a constitutive model based on plasticity theory to model the behaviour of a clay under cyclic loading. The modelling must be based on an understanding of the soil response and the critical state theory provides a description of the soil response which then be formulated in terms of …
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Computational Analysis of Molecules and Chemical Reactions from Cheminformatic Databases
… of organic reactions feature post-transition state bifurcations. Selectivities in such reactions are difficult to analyse because they cannot be determined by comparing the energies of competing transition states. Molecular dynamics approaches can provide answers but are computationally very …
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Illuminating reaction pathways in low-temperature combustion, pyrolysis & atmospheric oxidation
… corrects a longstanding issue in transition state theory by determining the proper symmetry in reactions with identical reactants and estimating the error from taking incorrect approach. The next chapter then applies transition state theory to develop high pressure limit and …
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Ab initio determination of kinetics for atomic layer deposition modeling
… from quantum-chemical studies. Using transition state theory and partition functions from statistical mechanics, equilibrium constants and reaction rates can be calculated. Several tools were created in Python to aid in the calculation of these quantities, and this procedure was applied to two …
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Computational approaches to understand the atomistic drivers of enzyme catalysis
… has been contextualized through transition-state theory (TST), in which catalytic strategies are described by their ability to minimize the activation energy to cross the reaction barrier through a combination of ground-state destabilization (GSD) and transition-state stabilization (TSS). …
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The surface effects of alkali halides in the infrared
"The surface state extension of the shallow donor theory is reviewed. The surface state theory and its applications to F-centers of alkali halides is presented. Experimental infrared data show an absorption which seems to correspond with the ground state to first excited state transition. Surface …
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Ab initio screening of lithium diffusion rates in transition metal oxide cathodes for lithium ion batteries
… ion battery cathodes is derived using transition state theory and common materials properties. The metric relies on net activation barrier for lithium diffusion. Several cathode materials are screened using this approach: [beta]'-LiFePO4, hexagonal LiMnBO3, monoclinic LiMnBO3, Li 3Mn(CO3)(PO4), …
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Supercritical Fluids: Kinetic Solvent Effect and the Correlation of Solid-Fluid Equilibria
… results were analyzed in terms of transition state theory using the Peng-Robinson equation. The slowing of the dimerization and the implications of this result for the general case of a reactive system in a supercritical solvent are discussed in terms of the relative sizes and energies of the …
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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
… 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 quantum mechanical models. Using Transition State Theory, the study examines …
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The institutional axis of hegemony: Phasing out coal at the Port of Newcastle
… This thesis studies how the Australian state maintains ‘fossil fuel hegemony’, developing the concept of an ‘institutional axis’ of hegemony to analyse barriers to SSP in particular contexts. By concentrating on the state and the institutional dimension of hegemony, this thesis …
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The institutional axis of hegemony: Phasing out coal at the Port of Newcastle
… This thesis studies how the Australian state maintains ‘fossil fuel hegemony’, developing the concept of an ‘institutional axis’ of hegemony to analyse barriers to SSP in particular contexts. By concentrating on the state and the institutional dimension of hegemony, this thesis …
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Passive solar energy : modifications of existing masonry walls to improve thermal performance.
… model was developed based on simple steady state theory, this was found to correlate well with experimental data. The theory could be used for any system of low thermal storage, including forced flow collectors. Finally these walls, and others, are compared and their relative merits …
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