Regensburg 2016 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 57: Polymer Dynamics and Rheology (joint session CPP/DY, organized by CPP)

CPP 57.2: Vortrag

Donnerstag, 10. März 2016, 15:15–15:30, H40

Polymer translocation through nanopores: An unbiased perspective on free energy landscapes and essential dynamics — Evangelos Tzaras, Florian Weik, Christian Holm, and •Jens Smiatek — Institut für Computerphysik, Universität Stuttgart, D-70569 Stuttgart, Germany

We studied the translocation of uncharged polymers through thin nanopores by coarse-grained Molecular Dynamics simulations in combination with a forward flux sampling approach. Our results for short and intermediate chain lengths reveal that the translocation behavior is mostly governed by the transition probabilities of single monomers. Specific configurational changes of the polymer or chain tension effects are minor important. We propose an analytic approach for the free energy landscapes which is in good agreement with the simulation results. The outcomes of an essential dynamics analysis verify that only a small number of eigenvectors is substantial for a reliable description of the polymer motion. A comparison with polymers in dilute bulk solution indicates the presence of quasi-equilibrium states which are important for the validity of the underlying free energy landscapes.