Towards a molecular understanding of the thermodynamics, structure and dynamics of supramolecular polymer melts and networks

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The aim of the project is to obtain a molecular understanding of the structure and dynamics of supramolecular model polymer melts and networks based on hydrogen bonding (H-bonding) interactions. The main aspects to consider are the 1) local dynamics at the hydrogen bonding group level as a basic element of the system, 2) association behavior in a blend with oligomers to obtain an experimentally easier access to the structure and dynamics at the chain level and to give additional evidences for the melt behavior, 3) melt structure and global and segmental dynamics of the supramolecular polymer and 4) network formation and respective macroscopic characterization. These studies will be carried out by a combination of different experimental techniques such as neutron scattering methods for the microscopic description, pulsed-field gradient nuclear magnetic resonance (PFG-NMR) for the understanding at a mesoscopic level and broadband dielectric spectroscopy (BDS), rheology and differential scanning calorimetry (DSC) for a macroscopic characterization. One of the major aspirations of this work is the possibility to explain and link the macroscopic properties, such as the strength of the polymers, its viscosity and flow through the microscopic observations, like the molecular structure and dynamics. The experimental results will also represent a valuable input for associated computer simulations submitted in a parallel proposal by Prof. Wolfgang Paul, which in turn will provide mechanistic molecular input for the interpretation of the experiments.