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

对超分子聚合物熔体和网络的热力学、结构和动力学的分子理解

• 批准号: 284072869
• 负责人: Dr. Ana Brás
• 金额: --
• 依托单位: Institut für Physikalische Chemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2016
• 资助国家: 德国
• 起止时间: 2015-12-31 至 2023-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/284072869?language=en
• 关键词: Towards; molecular; understanding; thermodynamics; structure

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.

该项目的目的是获得基于氢键（H-键合）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）作为体系基本元素的氢键基团水平上的局部动力学，2）与低聚物共混物中的缔合行为，以获得实验上更容易获得的链水平上的结构和动力学，并给出熔体行为的额外证据，3）超分子聚合物的熔体结构和整体和链段动力学; 4）网络形成和相应的宏观表征。这些研究将通过不同的实验技术的组合进行，例如用于微观描述的中子散射方法，用于在介观水平上理解的脉冲场梯度核磁共振（PFG-NMR），以及用于宏观表征的宽带介电谱（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解释和联系宏观性质的可能性，如聚合物的强度，其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Wolfgang Paul教授在并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制分子输入。