Molecular dynamics of polymer melts-Simulation of growth and coarse-grained modeling.
Akkermans, Reinier Louis Cornelis (2000) Molecular dynamics of polymer melts-Simulation of growth and coarse-grained modeling. thesis.
|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.
|Link to this item:||http://purl.utwente.nl/publications/8996|
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