Theoretische und experimentelle Untersuchungen von Benetzungseigenschaften von dünnen ein- und zweikomponentigen Polymerfilmen

单组分和双组分聚合物薄膜润湿性能的理论和实验研究

• 批准号: 5102386
• 负责人: Professor Dr. Kurt Binder (†)
• 金额: --
• 依托单位: Institut für Theoretische Physik
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 1998
• 资助国家: 德国
• 起止时间: 1997-12-31 至 2003-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/5102386?language=en
• 关键词: Theoretische; und; experimentelle; Untersuchungen; von

This project aims at the development of theoretical models for thin polymeric films adsorbed on solid substrate, and intends to characterize the wetting properties of these films with the help of Monte Carlo simulations and accompanying analytical methods (in particular the self-consistent field theory of macromolecules). Polymer chains are modeled by coarse-grained beadspring models with variable chain stiffness (via a bond angle potential). Chain length, temperatur and bulk density, film thickness, and the strength of the substrate potential are treated as variable parameters. Both short range and long range substrate monomer interactions are considered, as well as combinations therof. Determining the individual surface tensions substrate polymer gSP, substrate-vacuum gSV and polymer-vacuum gPV the wetting transitions shall be located and it shall be studied how the contact angle depends on the system parameters. Particular interest is devoted to the correlation between the thermodynamic states of the polymer film and the polymer configurations at the interfaces (orientation and/or deformation of the coils, enrichment of chain ends, changes of the local density, etc.) and corresponding entropic contributions.In a second step a generalization to two-component systems (symmetrical binary polymer mixtures AB) is planned to clarify the conditions under which phase separation occurs in perpendicular orientation to the substrate or horizontally. In the latter case we are particularly interested in the interaction of the interface polymer A - polymer B with the interface between the polymerfilm and the vacuum. In the first case we are particularly interested in the roughening of the polymer film caused by lateral unmixing.For both problems we plan to make connections both with fundamental theory (as it is available for Ising model and simple fluids) and with corresponding experiments. Finally the generalization of our studies to laterally structured substrates will be considered.

该项目旨在发展吸附在固体基质上的聚合物薄膜的理论模型，并打算借助Monte Carlo模拟和伴随的分析方法（特别是大分子的自洽场理论）来表征这些薄膜的润湿特性。聚合物链是由粗粒珠弹簧模型与可变链刚度（通过键角潜力）。链长、温度、堆积密度、膜厚和基底电位强度被视为可变参数。短程和长程底物单体相互作用被认为是，以及它们的组合。通过确定基底聚合物gSP、基底-真空gSV和聚合物-真空gPV的各个表面张力，应确定润湿转变的位置，并研究接触角如何取决于系统参数。特别感兴趣的是致力于聚合物膜的热力学状态和聚合物配置之间的相关性在界面（取向和/或变形的线圈，丰富的链端，局部密度的变化，等）。在第二步中，计划对双组分体系（对称二元聚合物混合物AB）进行概括，以澄清在垂直于基底取向或水平方向上发生相分离的条件。在后一种情况下，我们特别感兴趣的是界面聚合物A -聚合物B与聚合物膜和真空之间的界面的相互作用。在第一种情况下，我们特别感兴趣的是由横向不混合引起的聚合物膜的粗糙化。对于这两个问题，我们计划将基础理论（因为它适用于伊辛模型和简单流体）和相应的实验联系起来。最后，我们的研究横向结构基板的推广将被考虑。