Sökning: "ENTROPIES"

Visar resultat 1 - 5 av 17 avhandlingar innehållade ordet ENTROPIES.

1. 1. Random walk boundaries: their entropies and connections with Hecke pairs

   Författare :Hanna Oppelmayer; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Poisson boundary; Hecke pairs; Non-singular dynamical systems; Schlichting completion; random walks on groups; non-monotone sequences of $ sigma$-algebras; Furstenberg entropy;

   Sammanfattning : We present three papers in non-singular dynamics concerning boundaries of random walks on locally compact, second countable groups. One common theme is entropy. Paper II and III are concerned with boundary entropy spectra, while Paper I studies topological properties of entropy. LÄS MER

3. 2. A Microcalorimetric Study of Macrocyclic Complexes in Aqueous Solution

   Författare :Magnus Stödeman; Fysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Aqueous Solution; Calixarene; Cyclodextrin; Vaporization; Macrocyclic compounds; Microcalorimetry; Kemi;

   Sammanfattning : The present work involves a microcalorimetric characterization of the interactions among macrocyclic compounds and aliphatic molecules in aqueous solution. The macrocyclic compounds used in the study are a-,b- and g-cyclodextrin and 25,26,27,28-tetrahydroxycalix[4]arene-5,11,17,23- tetrasulphonate. LÄS MER

4. 3. Electron transport in quaternized cross-linked poly(4-vinylpyridine) films containing trapped redox molecules : experimental and theoretical aspects that concern identification of electron translation mechanisms

   Författare :Henrik Larsson; Michael Sharp; Marcin Majda; Umeå universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; charge transport; polymer film; Analytical Chemistry; analytisk kemi;

   Sammanfattning : This thesis deals with the identification of electron translation mechanisms in quaternized cross-linked poly(4-vinylpyridine) films containing trapped redox molecules. Experimental aspects, such as the determination of the total amounts of electroactive species within the films, measurements of electrochemical rate parameters and ellipsometric film thickness  evaluation, are discussed together with theoretical models that predict different mechanisms of charge transport. LÄS MER

5. 4. Challenges in Computational Biochemistry: Solvation and Ligand Binding

   Författare :Jens Carlsson; Johan Åqvist; Chris Reynolds; Uppsala universitet; []
   Nyckelord :Molecular biology; computer simulations; molecular dynamics; solvation free energy; Generalized-Born; Poisson-Boltzmann; ligand binding; binding free energy; linear interaction energy; binding entropy; hydration entropy; Molekylärbiologi;

   Sammanfattning : Accurate calculations of free energies for molecular association and solvation are important for the understanding of biochemical processes, and are useful in many pharmaceutical applications. In this thesis, molecular dynamics (MD) simulations are used to calculate thermodynamic properties for solvation and ligand binding. LÄS MER

7. 5. Properties of Al-Mg Alloys and Vacancies in Al: a First-Principles Investigation

   Författare :Karin M. Carling; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : Phase transformations such as precipitation are used to control the strength of many technologically important aluminum alloys. In precipitation hardening, the material is heat treated and aged to produce precipitates, small particles of a different phase, in the matrix. LÄS MER