Sökning: "physical phenomena"

Visar resultat 1 - 5 av 710 avhandlingar innehållade orden physical phenomena.

  1. 1. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory

    Författare :Mikkel Jørgensen; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Density Functional Theory; Methane oxidation; Mean-field approximation; Microkinetic modeling; Kinetic Monte Carlo; Nanoparticles; Entropy; CO oxidation; Catalysis;

    Sammanfattning : Heterogeneous catalysis is vitally important to modern society, and one path towardsrational catalyst design is through atomistic scale understanding. The atomistic scalecan be linked to macroscopic observables by microkinetic models based on first-principlescalculations. LÄS MER

  3. 2. Atomic scale modeling of ordering phenomena

    Författare :Mattias Ångqvist; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; tungsten carbide; alloys; ordering phenomena; zeolites; inorganic clathrates; Cluster expansion; Monte Carlo;

    Sammanfattning : Ordering phenomena in materials often have a crucial impact on materials properties. They are governed by the competition between entropy and energy. Accordingly simulating these aspects requires the construction of models that enable a computationally efficient exploration of the relevant configuration space. LÄS MER

  4. 3. Phase Phenomena in Polymer Networks : Empirical Studies on the Influence of Hydrophobicity, Charge Density and Crosslinks on Macroion-Induced Phase Transitions in Polyelectrolyte Gels

    Författare :Martin Andersson; Per Hansson; Lennart Piculell; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Gel; microgel; microsphere; polystyrenesulfonate; polyacrylate; polyacrylicacid; DoTAB; DoTAC; CTAB; CTAC; network; polyelectrolyte; complex salt; self assembly; phase behaviour; hysteresis; thermodynamic; core-shell; lysozyme; cytochrome c; microscopy; micromanipulator; elastomer; elastic; protein; surfactant; phase behaviour; sorting; PHARMACY; FARMACI; Physical chemistry; Fysikalisk kemi;

    Sammanfattning : The thesis concerns polyelectrolyte gels in contact with oppositely charged proteins and surfactant micelles, and includes of four papers (I-IV). In paper I confocal Raman spectroscopy was introduced as a method to trace micelles and investigate the structure of gel-surfactant complexes, in phase separated gel spheres. LÄS MER

  5. 4. Atomic scale modeling of ordering phenomena in inorganic clathrates

    Författare :Mattias Ångqvist; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; ordering phenomena; Cluster expansion; Monte Carlo; Inorganic clathrates;

    Sammanfattning : Ordering phenomena in materials often have a crucial impact on materials properties. They are governed by the competition between entropy and energy. Accordingly simulating these aspects requires the construction of models that enable an computationally efficient exploration of the relevant configuration space. LÄS MER

  7. 5. Interface Phenomena in Organic Electronics

    Författare :Qinye Bao; Mats Fahlman; Xianjie Liu; Slawomir Braun; Mathieu Turbiez; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Sammanfattning : Organic electronics based on organic semiconductors offer tremendous advantages compared to traditional inorganic counterparts such as low temperature processing, light weight, low manufacturing cost, high throughput and mechanical flexibility. Many key electronic processes in organic electronic devices, e.g. LÄS MER