The Impact of a Solid Surface on the Structure and Dynamics of Polymer Melts

固体表面对聚合物熔体结构和动力学的影响

• 批准号: 196307735
• 负责人: Professor Dr. Hans-Jürgen Butt
• 金额: --
• 依托单位: Max-Planck-Institut für Polymerforschung
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2011
• 资助国家: 德国
• 起止时间: 2010-12-31 至 2013-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/196307735?language=en
• 关键词: Impact; Solid; Surface; Structure; Dynamics

This project aims to study the structure and dynamics of polymers in contact with a solid surface. Poly(isoprene), poly(butadiene), polystyrene and polyethylene will be studied in contact with gold, silver surfaces. These substrates allow us to investigate the effect of different surfaces on the polymer structure and dynamic properties. The project will bridge the gap between simulations and experiment. Experimentally we intend to probe the interphase between the polymer and the solid using two recently developed methods: Resonance enhanced dynamic light scattering (REDLS) and waveguide enhanced dynamic light scattering (WEDLS), complemented by surface plasmon spectroscopy (SPR). This allows to study a multitude of interfaces including thiol coated gold surfaces ranging from essentially attractive via neutral to repulsive interaction with the polymer. For the theoretical studies a hierarchical multiscale approach, which combines quantum-level calculations, classical all atom molecular dynamics, and coarse-grained simulations, will be used. Thick films of short polymers between two parallel, solid surfaces will be studied. The segmental motion and diffusion of the centre of mass can be analyzed as a function of distance from the surface and the results will be compared to experiment. The study will be extended to long-chain entangled polymer melts using coarse-grained models derived from the short all atom chains.

本项目旨在研究与固体表面接触的聚合物的结构和动力学。将研究聚异戊二烯、聚丁二烯、聚苯乙烯和聚乙烯与金、银表面的接触。这些衬底使我们能够研究不同表面对聚合物结构和动态性能的影响。这个项目将弥补模拟和实验之间的差距。实验上，我们打算利用最近发展的两种方法来探测聚合物和固体之间的界面：共振增强动态光散射（REDLS）和波导增强动态光散射（WEDLS），并辅以表面等离子体光谱（SPR）。这允许研究多种界面，包括硫醇涂层的金表面，从本质上吸引到中性到与聚合物的排斥相互作用。在理论研究方面，将采用分层多尺度方法，结合量子级计算、经典全原子分子动力学和粗粒度模拟。将研究两个平行固体表面之间的短聚合物厚膜。质心的分段运动和扩散可以分析为离表面距离的函数，并将结果与实验进行比较。研究将扩展到长链纠缠聚合物熔体，使用由短全原子链推导的粗粒度模型。