纳米粒子在聚合物胶束中的选择性定位组装及其动力学

纳米粒子具有尺寸小、比表面积大和量子尺寸效应的特点，其物理-化学特性较之宏观尺度材料会发生质的变化，并且可以通过控制其尺度和相互作用来调节其性质。因此，纳米材料在许多领域，尤其是在生物诊断和药物释放等领域具有十分重要的应用前景。利用两亲性嵌段共聚物在溶液中具有丰富的胶束形态和自组装特性以及纳米粒子独特的性能，将纳米粒子和合适的嵌段共聚物进行共组装，实现纳米粒子在聚合物胶束中的选择性定位，具有非常重要的研究意义。本项目将采用自洽场理论和耗散粒子动力学方法，研究纳米粒子与两亲性聚合物在溶液中的共组装及其动力学过程，重点研究纳米粒子在胶束中的选择性定位组装。探索最终形成胶束形态与纳米粒子性质之间的内在规律，尤其是纳米粒子参与下聚合物囊泡的形成机理以及体系所经历的亚稳态。获得不同形态尺寸、拓扑结构和亲疏水性质下纳米粒子自组装行为，为设计纳米粒子在嵌段共聚物胶束中的选择性定位组装提供可靠的理论依据。

Nanoparticles (NPs) have attracted considerable attention due to their mesoscale size, high specific surface area and quantum size effect. Compared with the macroscopic chemical and physical properties, they have led to a qualitative change in materials upon the controlled change of the particle size and interactions. Therefore, NPs are increasingly used in different applications especially for biological diagnosis and drug release systems. Specially, the self-assembly of amphiphilic block copolymers (BCPs) can yield ordered structures in a wide range of morphologies in solution, making them ideal candidates for hierarchical control over the spatial location of the NPs with unique optical, electrical, and magnetic properties. In this project, we will investigate the self-assembly of BCPs and NPs in solution using self-consistent-field theory (SCFT) and dissipative particle dynamics (DPD), and focus on the selective localization of NPs in BCP aggregates. The concrete contents mainly include: morphological diagrams formed by BCPs and NPs with different parameters; mechanisms of the vesicle formation and metastable states of the system in the presence of NPs; self-assembly of NPs of different geometry, topology and amphiphilicity. The aim of the project is to provide the theoretical base for the selective localization of nanoparticles in block copolymer aggregates.