RUI: Modeling of Reactive Compatibilization in Polymer Blends

这是一项本科研究机构（RUI）奖，旨在从理论上了解聚合物共混物的反应增容作用。本科生将参与研究。在反应增容过程中，将互补官能团置于聚合物共混物的不同均聚物上。这些功能化聚合物在均聚物-均聚物界面反应形成共聚物层，通过增强界面附着力、降低表面张力和阻碍液滴聚结，产生性能更好的共混物。这些作用的结合产生了具有更好的热学和机械性能的共混物。许多互补的数值和分析方法，包括分子动力学、平均场动力学和结合这两种动力学的混合模型，将被用来确定共聚物层如何随时间形成和生长。不同的方法适用于不同的反应性和官能团密度，因此将对整个范围的反应增容进行研究。结果将增加我们对共聚物层生长如何依赖于微观参数的理解。将确定标度制度和交叉时间，并与现有的理论结果进行比较。通过与相关函数和平均聚合物位移的实验测量值的比较，将确定每种结垢机制背后的物理机制。这是本科院校（RUI）的一项研究，旨在从理论上理解聚合物共混物中的反应增容作用。本科生将参与研究。在反应增容过程中，将互补官能团置于聚合物共混物的不同均聚物上。这些功能化聚合物在均聚物-均聚物界面反应形成共聚物层，通过增强界面附着力、降低表面张力和阻碍液滴聚结，产生性能更好的共混物。这些作用的结合产生了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.***