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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 11: Responsive and Adaptive Systems

CPP 11.6: Vortrag

Montag, 12. März 2018, 12:30–12:45, C 230

Density and temperature dependence on supramolecular polymer morphology of polyethylene and polybutylene glycols with hydrogen bonding ends — •Eunsang Lee and Wolfgang Paul — Institut für Physik, Martin-Luther Universität Halle-Wittenberg, Halle, Germany

Rheological properties of supramolecular polymers depend on their structure including the size, the number, and the topology of aggregates. A polymer with a hydrogen-bonding motif at both ends is one widely used precursor to build the supramolecular polymers. In this work we investigate structures of supramolecular polyethylene glycol and polybutylene glycols with associating ends in wide range of temperature and density using a coarse-grained (CG) model via stochastic approximation Monte Carlo method. Our CG force field is constructed by Boltzmann inversion of the probability distributions of all-atom polymer conformations. This work especially focuses on the transition from ring- to chain-dominated phases since the ring contaminant in a ring-linear blend melt is known to significantly influence its rheology. The phase diagram in a density-temperature space displays two continuous transition lines. One is the transition from ring- to chain-dominated phase with a coexistence between two phases at the transition temperature and the other is the transition from chain-dominated to free chain phase. For supramolecular polymers at melt-like density it turns out that chain aggregates dominate over rings at room temperature.