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Molecular Design of Novel Polymer Materials Based onBottlebrush Macromolecules

基于刷子高分子的新型高分子材料的分子设计

基本信息

批准号：
337847083
负责人：
Professor Dr. Jaroslaw Paturej
金额：
--
依托单位：
August Chełkowski Institute of Physics
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2017
资助国家：
德国
起止时间：
2016-12-31 至 2019-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/337847083?language=en
关键词：
Molecular Design Novel Polymer Materials

项目摘要

Significant progress in polymerization techniques allows synthesis of hyperbranched architectures with precisely controlled molecular dimensions and well-defined shapes. One of the most distinctive examples of highly-branched macromolecules are molecular bottlebrushes composed of many polymer sidechains densely grafted to a linear chain (backbone). Strong steric repulsion between densely grafted branches affects stiffness and ensures highly extended conformations of individual bottlebrushes and reduces overlap between molecules in concentrated solutions and melts. These remarkable features provide access to fabrication of bottlebrush based materials with physical properties that are distinct from conventional materials composed of linear polymers. The goal of this project is to develop analytical and numerical models of bottlebrush polymers that will provide guidelines for designing novel super-soft and super-tough materials. Softness of polymers can be greatly enhanced by disentanglement of molecules. In melts, bottlebrush architecture promotes disentanglement resulting in unusual rheological properties, i.e. plateau modulus is 2-3 orders of magnitude lower than typically observed in linear chain melts. We propose to study the relationship between architecture of cross-linked bottlebrushes and softness of the resulting elastomer. It has been demonstrated that properties of polymer gels can be improved by synthesizing networks with different stiffness. Stiffness of bottlebrushes can be controlled by varying their thickness. We propose to study properties of interpenetrating networks composed of cross-linked bottlebrushes with different stiffness. Our approach is a combined study using molecular dynamics and Monte-Carlo simulation techniques as well as scaling and mean-field concepts to develop a theoretical understanding of bottlebrush melts and networks.

聚合技术的重大进展允许合成具有精确控制的分子尺寸和明确定义的形状的超支化结构。高度支化的大分子的最独特的例子之一是由许多聚合物侧链密集地接枝到线性链（主链）上组成的分子瓶刷。密集接枝分支之间的强空间排斥影响刚度，并确保高度扩展的构象的个别bottlebrush和减少分子之间的重叠在浓溶液和熔体。这些显著的特征提供了制造基于瓶刷的材料的途径，所述材料具有不同于由线性聚合物组成的常规材料的物理性质。该项目的目标是开发瓶刷聚合物的分析和数值模型，为设计新型超软和超韧材料提供指导。聚合物的柔软性可以通过分子的解缠结而大大提高。在熔体中，瓶刷结构促进解缠结，导致不寻常的流变性质，即平台模量比通常在线性链熔体中观察到的低2-3个数量级。我们建议研究交联瓶刷的结构和所得弹性体的柔软度之间的关系。研究表明，通过合成不同刚度的网络可以改善聚合物凝胶的性能。瓶刷的硬度可以通过改变其厚度来控制。我们建议研究具有不同刚度的交联瓶刷组成的互穿网络的性质。我们的方法是一个结合使用分子动力学和蒙特-卡罗模拟技术，以及缩放和平均场的概念，以发展一个理论上的理解bottlebrush熔体和网络的研究。