Search for dissertations about: "polymer models"

Showing result 1 - 5 of 138 swedish dissertations containing the words polymer models.

  2. 1. First-principles calculations of polymer interactions

    Author : Jesper Kleis; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; polymer structure; polyvinylchloride.; polypropylene; polyethylene; sparse material systems; Density functional theory; polymer interactions; van der Waals interaction; polymer crystal; soft matter; DFT;

    Abstract : This thesis reports on studies of interactions in sparse matter by first-principles calculations, in particular polymeric systems. The focus is on the three unbranched simple polymers: polyethylene (PE), isotactic polypropylene (PP) and isotactic polyvinylchloride (PVC), which together represent an important class of materials that form complexes stabilized by weak but long-range dispersive interactions. READ MORE

  4. 2. Liquid Crystalline SIloxane Dimers - Advanced Materials with Enhanced Properties

    Author : Nils Olsson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; 45 degree tilt angle; dimer; antiferroelectric; fluorinated; siloxane; polymer; liquid crystal; macrocycle; ferroelectric;

    Abstract : The liquid crystal state is a complex state with many kinds of different molecular attractive and repulsive forces that results in various kinds of phases. Since the pioneering works by Vorländer in the early 20th century, liquid crystal research has to a great extent been depending on careful systematic studies of the structure/property relationships in series of similar liquid crystalline materials. READ MORE

  5. 3. Polymer Light Emitting Devices : A study on how the electrode-polymer interface affects the performance of polymer light emitting devices

    Author : Per Bröms; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : The research reported in this thesis is concerned with a new type of semiconductor device that can be realised by using thin films of semiconducting polymers, or conjugated polymers. In this thesis only one family of these conjugated polymers is studied, namely poly-(para-phenylene vinylene) and derivatives thereof. READ MORE

  6. 4. Properties of Protein and Polymer Systems

    Author : Fredrik Carlsson; Avdelningen för Konstruktionsteknik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Fysikalisk kemi; Physical chemistry; lysozyme; mica; surface; dimerization; precipitation; aggregate; cluster; complex; polyelectrolyte; protein; polymer;

    Abstract : Interactions of proteins with other proteins, with polymers and with surfaces are of great practical importance within for instance protein purification, drug delivery, and food technology. The aim of this work is to increase the understanding of protein-protein, protein-polyelectrolyte, and protein-surface interactions, particularly concerning the role of electrostatic interactions in these systems. READ MORE

  7. 5. Meso-scale modelling of composites and semi-crystalline polymers

    Author : Fritjof Nilsson; Mikael Hedenqvist; Ulf Gedde; Hans Ågren; Göran Grimvall; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; semi-crystalline polymers; simulations; diffusion; electrostatics; Materials science; Teknisk materialvetenskap; Applied mathematics; Tillämpad matematik; Polymer chemistry; Polymerkemi;

    Abstract : This thesis covers the first few steps of a multi-scale computer simulation strategy for predicting physical properties of complex polymers like composites and semi-crystalline polymers. Meso-scale simulations of crystallization and solvent diffusion in polyethylene as well as simulations examining the geometrical impact on the effective permittivity of composites have been performed. READ MORE