Berlin 2018 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 63: Polymer and Molecular Dynamics II

CPP 63.8: Vortrag

Donnerstag, 15. März 2018, 11:30–11:45, C 264

Dissipation Controls the Relaxation Pathways of Collapse of a Polymer — •Suman Majumder, Henrik Christiansen, and Wolfhard Janke — Institut für Theoretische Physik, Universität Leipzig, Postfach 100 920, 04009 Leipzig, Germany

Variations in the nature of interactions with a solvent trigger various conformational transitions associated with macromolecules, e.g., the collapse of a polymer. Having this fact in hindsight, here, we investigate the kinetics of collapse of a model homopolymer in explicit solvent via a modified dissipative particle dynamics that allows qualitative tuning of the particle-velocity dissipation or in other words the solvent viscosity. As a generic phenomenon, the collapse follows a pathway characterized by the "pearl-necklace" picture (local clusters of monomers connected by strings of monomers) before eventually collapsing to a globule. However, as the viscosity increases, the time span of the "pearl-necklace" picture shortens and the dynamics appear to be dominated by de Gennes’ "sausage-like" structures, which only in the long run approaches a compact spherical globule. We provide a novel way of separation of the time scales involving the "pearl-necklace" stage and the relaxation of the "sausage-like" structures based on cluster identification and shape factor analyses, respectively.