低价态聚合物功能化纳米粒子的介尺度“聚合”行为研究

以纳米粒子作为结构单元，通过介尺度“聚合反应”而组成“纳米粒子聚合物”。这种新型聚合物表现出与传统聚合物材料截然不同的新性能。由于纳米粒子聚合物是高分子与纳米科学的新兴交叉领域，理性地设计纳米粒子聚合物结构及定量地预测其物理性质的研究还很缺乏。本项目以聚合物功能化纳米粒子为研究对象，构建适合于低价态纳米粒子“聚合”行为研究的粗粒化模型，推广高分子科学的聚合反应动力学理论、标度概念等到介尺度体系，揭示低价态纳米粒子的介尺度“聚合”机理以及纳米粒子聚合物链构象、溶胶‒凝胶转变等普适性规律，实现纳米粒子聚合物结构的理性设计及其物理性质的定量预测。上述研究将有助于丰富和加深高分子科学的重要概念及经典理论，并且将促进纳米粒子聚合物这一新体系的发展。

Nanoparticles as basic building units in the nanoscience are utilized to construct the self-assembled superstructures named “nanopolymers” through the “polymerization-like reaction” at the mesoscales. In comparison with the conventional molecular polymers, the novel nanopolymers have fascinating performances due to the collective electronic, optical and magnetic properties. Currently, it is challenging to rationally design the architectures of nanopolymers and quantitatively predict their physical properties, as a newly developed cross-field subject between the polymer science and nanoscience. In this proposal, focusing on the polymer-functionalized nanoparticles, we build upon the coarse-grained model for the “polymerization-like” behaviors of nanoparticles with limited valence. We intend to extend the basic concepts and the classic theory (e.g., kinetic theory of polymerization reaction and scaling concepts of polymer chains) originally proposed in the community of polymer science to the systems of nanoparticles at the mesoscales, and unveil the “polymerization-like” mechanisms of nanoparticles in the process of hierarchical self-assembly as well as the general rules of physical properties of nanopolymers chains. On the basis of these studies, the architectures of nanopolymers are rationally designed and the correspondingly physical properties are quantitatively predicted. These studies will enrich the basic concepts and the classic theory of polymer science, as well as promote the development of new nanopolymers at the mesoscales.