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

该项目的目的是获得基于氢键（h键）相互作用的超分子模型聚合物熔体和网络的结构和动力学的分子理解。要考虑的主要方面是：1)作为系统基本元素的氢键基团水平的局部动力学；2)与低聚物共混物的缔合行为，以便在实验上更容易地获得链水平的结构和动力学，并为熔体行为提供额外的证据；3)超分子聚合物的熔体结构和整体和节段动力学；4)网络形成和各自的宏观表征。这些研究将结合不同的实验技术进行，如用于微观描述的中子散射方法，用于介观水平理解的脉冲场梯度核磁共振（PFG-NMR）和用于宏观表征的宽带介电光谱（BDS），流变学和差示扫描量热法（DSC）。这项工作的主要愿望之一是有可能解释和联系宏观性质，如聚合物的强度，它的粘度和流动通过微观观察，如分子结构和动力学。实验结果也将为沃尔夫冈·保罗教授在平行提案中提交的相关计算机模拟提供有价值的输入，这反过来将为实验的解释提供机械分子输入。

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.