Molecular dynamics of polymer melts-Simulation of growth and coarse-grained modeling.

R.L.C. Akkermans

    Abstract

    Many systems of academic and industrial interest are examples of soft condensed matter: they exhibit both solid and liquid-like behavior. Typical examples include polymers, gels, surfactants, and micro-emulsions. The dynamical properties of these systems are often very unusual; a microscopic understanding signifies a continuous challenge to statistical mechanics and computer simulations. In this thesis we are concerned with computer simulations of polymer solutions and melts. In the starting section of this chapter we will briefly overview the properties of these systems and the molecular theories that were developed to explain their peculiar behavior. In section two we focus on polymer melts at different length scales. We sketch how the different levels of description are connected through coarse- or fine-grained modelling. In the third section we discuss the development of computer simulations and the role that they have played in understanding the dynamical properties of polymers. In the final section the reader will find an outline of this thesis.
    Original languageUndefined
    Awarding Institution
    • University of Twente
    Supervisors/Advisors
    • Briels, Willem J., Supervisor
    Date of Award21 Sep 2000
    Place of PublicationEnschede
    Publisher
    Print ISBNs90 365148 5
    StatePublished - 21 Sep 2000

    Fingerprint

    Polymers
    Computer simulation
    Modeling
    Length
    Surfactant
    Liquid
    Microemulsion
    Statistical mechanics

    Keywords

    • METIS-105032
    • IR-8996

    Cite this

    Akkermans, R. L. C. (2000). Molecular dynamics of polymer melts-Simulation of growth and coarse-grained modeling. Enschede: Universiteit Twente
    Akkermans, R.L.C.. / Molecular dynamics of polymer melts-Simulation of growth and coarse-grained modeling.. Enschede : Universiteit Twente, 2000. 122 p.
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    Molecular dynamics of polymer melts-Simulation of growth and coarse-grained modeling. / Akkermans, R.L.C.

    Enschede : Universiteit Twente, 2000. 122 p.

    Research output: ScientificPhD Thesis - Research UT, graduation UT

    TY - THES

    T1 - Molecular dynamics of polymer melts-Simulation of growth and coarse-grained modeling.

    AU - Akkermans,R.L.C.

    PY - 2000/9/21

    Y1 - 2000/9/21

    N2 - Many systems of academic and industrial interest are examples of soft condensed matter: they exhibit both solid and liquid-like behavior. Typical examples include polymers, gels, surfactants, and micro-emulsions. The dynamical properties of these systems are often very unusual; a microscopic understanding signifies a continuous challenge to statistical mechanics and computer simulations. In this thesis we are concerned with computer simulations of polymer solutions and melts. In the starting section of this chapter we will briefly overview the properties of these systems and the molecular theories that were developed to explain their peculiar behavior. In section two we focus on polymer melts at different length scales. We sketch how the different levels of description are connected through coarse- or fine-grained modelling. In the third section we discuss the development of computer simulations and the role that they have played in understanding the dynamical properties of polymers. In the final section the reader will find an outline of this thesis.

    AB - Many systems of academic and industrial interest are examples of soft condensed matter: they exhibit both solid and liquid-like behavior. Typical examples include polymers, gels, surfactants, and micro-emulsions. The dynamical properties of these systems are often very unusual; a microscopic understanding signifies a continuous challenge to statistical mechanics and computer simulations. In this thesis we are concerned with computer simulations of polymer solutions and melts. In the starting section of this chapter we will briefly overview the properties of these systems and the molecular theories that were developed to explain their peculiar behavior. In section two we focus on polymer melts at different length scales. We sketch how the different levels of description are connected through coarse- or fine-grained modelling. In the third section we discuss the development of computer simulations and the role that they have played in understanding the dynamical properties of polymers. In the final section the reader will find an outline of this thesis.

    KW - METIS-105032

    KW - IR-8996

    M3 - PhD Thesis - Research UT, graduation UT

    SN - 90 365148 5

    PB - Universiteit Twente

    ER -

    Akkermans RLC. Molecular dynamics of polymer melts-Simulation of growth and coarse-grained modeling.. Enschede: Universiteit Twente, 2000. 122 p.