Dresden 2017 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 48: Poster: Polymer Crystallization, Nucleation and Selfassembly
CPP 48.3: Poster
Mittwoch, 22. März 2017, 18:30–21:00, P2-OG1
Molecular Dynamics simulations of deformation induced solubility of poly(ethylene oxide) in water — •Sergii Donets1, Olga Guskova1, and Jens-Uwe Sommer1,2 — 1Insitute Theory of Polymers, Leibniz-Institute of Polymer Research, D-01069 Dresden, Germany — 2Technische Universität Dresden, Institute for Theoretical Physics, D-01069 Dresden, Germany
Metastability of hydrated polymer solutions can lead to a spontaneous solidification via H-bonding in response to the stress fields, e.g. under flow conditions. This could potentially help to overcome the problem of high energy input at each stage of the processing path and provide us with low energy, wet-processing techniques for producing sustainable polymeric materials. Water solution of poly(ethylene oxide) is considered as a potential candidate capable of undergoing the phase transition as a result of loss of the hydrated structure. We have performed classical molecular dynamics simulations to study thermodynamic and structural properties of poly(ethylene oxide) under deformation in water.