RUI: Modeling of Reactive Compatibilization in Polymer Blends

9986879 Yeung这是一个本科研究机构（RUI）奖，以获得聚合物共混物中反应增容的理论理解。 本科生将参与研究。 在反应性增容过程中，互补官能团被置于聚合物共混物的不同均聚物上。 这些官能化聚合物在均聚物-均聚物界面处反应以形成共聚物层，该共聚物层通过增强界面粘附、降低表面张力和阻碍液滴聚结而产生具有更好性能的共混物。 这些效应的结合产生具有更好的热性能和机械性能的共混物。一些互补的数值和分析方法，包括分子动力学，平均场动力学，并结合这两个动力学的混合模型，将被用来确定如何共聚物层的形成和增长随着时间的推移。 不同的方法是有效的，在不同的制度的反应性和密度的官能团，所以反应增容的整个范围内将进行研究。 这些结果将增加我们对共聚物层的生长如何依赖于微观参数的理解。 标度制度和交叉时间将被确定，并与现有的理论结果进行比较。 每个缩放制度背后的物理机制将通过比较相关函数和平均聚合物位移的实验测量值来确定。这是一个本科研究机构（RUI）奖，以获得聚合物共混物中反应增容的理论理解。 本科生将参与研究。 在反应性增容过程中，互补官能团被置于聚合物共混物的不同均聚物上。 这些官能化聚合物在均聚物-均聚物界面处反应以形成共聚物层，该共聚物层通过增强界面粘附、降低表面张力和阻碍液滴聚结而产生具有更好性能的共混物。 这些效应的结合产生具有更好的热性能和机械性能的共混物。

9986879YeungThis is a Research at Undergraduate Institution (RUI) award to obtain a theoretical understanding of reactive compatibilization in polymer blends. Undergraduate students will be participating in the research. In the reactive compatibilization process, complementary functional groups are placed on different homopolymers of a polymer blend. These functionalized polymers react at the homopolymer-homopolymer interface to form a copolymer layer that produces blends with better properties by enhancing the interfacial adhesion, reducing the surface tension and hindering the coalescence of droplets. The combination of these effects produce blends with better thermal and mechanical properties.A number of complementary numerical and analytical methods, including molecular dynamics, mean field dynamics, and a hybrid model incorporating both of these dynamics, will be employed to determine how the copolymer layer forms and grows with time. The different methods are valid in different regimes of reactivity and density of the functional groups, so reactive compatibilization for the entire range will be studied. The results will increase our understanding of how the growth of the copolymer layer depends on the microscopic parameters. Scaling regimes and crossover times will be identified and compared with extant theoretical results. The physical mechanism behind each scaling regime will be identified by comparison to experimental measurements of the correlation function and average polymer displacement. %%%This is a Research at Undergraduate Institution (RUI) award to obtain a theoretical understanding of reactive compatibilization in polymer blends. Undergraduate students will be participating in the research. In the reactive compatibilization process, complementary functional groups are placed on different homopolymers of a polymer blend. These functionalized polymers react at the homopolymer-homopolymer interface to form a copolymer layer that produces blends with better properties by enhancing the interfacial adhesion, reducing the surface tension and hindering the coalescence of droplets. The combination of these effects produce blends with better thermal and mechanical properties.***