Sökning: "polymer field theory"

Visar resultat 1 - 5 av 20 avhandlingar innehållade orden polymer field theory.

  1. 1. Van der Waals density-functional description of polymers and other sparse materials

    Författare :Jesper Kleis; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; softmatter; Density functional theory; polyethylene; van der Waals interaction; polymer crystal; nanotubes; DFT; sparse material systems; polymer interactions; polymer structure;

    Sammanfattning : Polymers are abundant in nature --- rubber, tar and latex have been known to mankind for thousands of years. Early in the 20th century, a systematic synthesis of polymers was developed, but the great potential of synthesized polymers was recognized first during World War II. LÄS MER

  3. 2. Evaluation of Innovative Rehabilitation Technologies Utilising Polymer Composites for Aging Sewer Systems

    Författare :Parastou Kharazmi; Folke Björk; Tord af Klintberg; Tor Broström; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Civil and Architectural Engineering; Byggvetenskap;

    Sammanfattning : Water and wastewater sewer system maintenance is among the costliest aspects of infrastructure investment. The replacement of deteriorated lines is a difficult and expensive process that causes community disturbance and is generally not conducted fast enough to meet demand. LÄS MER

  4. 3. Electronic and optical properties of conducting polymers from quantum mechanical computations

    Författare :Amina Mirsakiyeva; Anna Delin; Igor Zozoulenko; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; density functional theory; DFT; Car-Parrinello molecular dynamics; CPMD; tigh-binding; poly 3; 4-ethylenedioxythiophene ; PEDOT; selenium; PEDOS; tellurium; PEDOTe; poly p-phenylene ; poly para-phenylene ; poly 1; 4-phenylene ; naphthobischalcogenadiazoles; Fysik; Physics;

    Sammanfattning :     Conductive polymers are also known as "organic metals" due to their semiconducting properties. They are found in a wide range of applications in the field of organic electronics. However, the growing number of experimental works is not widely supported with theoretical calculations. LÄS MER

  5. 4. Polymer and Protein Physics : Simulations of Interactions and Dynamics

    Författare :Anna Sinelnikova; Johan Nilsson; Carl Caleman; Erik Lindahl; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; polymers; proteins; Monte Carlo; molecular dynamics; phase diagram; renormalisation group; SPI; polymer effective model; coarse-graining; Physics with specialization in Biophysics; Fysik med inriktning mot biofysik;

    Sammanfattning : Proteins can, without any exaggeration, be called the "building blocks of life". Their physical properties depend not only on the chemical structure but also on their geometric shape. In this thesis, I investigate protein geometry using several different methods.We start with a coarse-graining model to study the general behavior of polymers. LÄS MER

  7. 5. Assembling a toolkit for computational dissection of dense protein systems

    Författare :Daniel Nilsson; Beräkningsbiologi och biologisk fysik - Genomgår omorganisation; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; macromolecular crowding; liquid-liquid phase separation; Monte Carlo simulation; time-lagged independent component analysis; finite-size scaling; polymer field theory; protein force field; Fysicumarkivet A:2021:Nilsson;

    Sammanfattning : The cellular interior is a dense environment. Understanding how such an environment impacts the properties of proteins and other macromolecules, as well as how weak, non-specific interactions drive processes such as protein droplet formation through liquid-liquid phase separation, is a major challenge in biological physics. LÄS MER