嵌段共聚物自组装形成各向异性纳米粒子的模拟研究

项目名称： 嵌段共聚物自组装形成各向异性纳米粒子的模拟研究

项目编号： No.11204215

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 物理学I

项目作者： 于彬

作者单位： 天津师范大学

项目金额： 25万元

中文摘要： 各向异性纳米粒子新奇的结构和其在仿生材料制备、药物携带与释放、电子工程、光子晶体等多个学科领域的应用前景，得到了科研人员的广泛关注。在其制备方法中，嵌段共聚物由于能够自组装形成丰富的纳米尺度结构以及这些微相结构易于调控性，成为目前最有效和最有前景的方法之一。所以，本项目采用模拟退火方法研究嵌段共聚物自组装形成各向异性结构的条件以及物理机理。研究体系为共聚物溶液和空间受限体系。主要考察溶液体系中共聚物浓度、链长、体积分数、溶液选择性等对自组装形态的影响；利用受限产生对称性破缺这一思想，构建不同的受限环境以考察其对自组装形态的影响；基于共聚物链物理量的统计以及自由能的计算，揭示各向异性结构形成原因和不同形态之间的转变路径及其物理机理；在正确预测平衡态结构的基础上，利用格点玻尔兹曼方法探索其动力学行为，从而全面加强对这类特殊结构相行为的认识和理解，为新型功能材料的设计和应用提供理论指导和依据。

中文关键词： 嵌段共聚物；受限；各向异性结构；自组装；石墨烯

英文摘要： In recent years, anisotropic nanoparticles, such as patchy, multi-compartment and Janus particles have attracted tremendous scientific interests due to their novel morphologies and potential application in fabrication photonic crystals, target drug delivery, bionic self-healing materials, electronics, biological and optical sensor, antireflection coatings and anisotropic building blocks for complex structures. Block copolymers have the most fascinating characteristic of most soft matter, that is, they can form rich and controllable variety of microstructures at nanoscale via self-assembly which made them be a suitable and promising candidate for fabricating anisotropic morphologies. In this project, we will systematically investigate the self-assembly behavior of block copolymers in solvent and under various confined states using simulated annealing technique. The research priorities are predicting novel morphologies, especially, searching the requirement of forming anisotropic morphologies and elucidating the underlying physical rules. On one hand, in solution, we systematically study the influence of the polymerization, volume fraction, concentration of the block copolymers and the selectivity of solvent, on the self-assembled morphologies. On the other hand, based on the idea of confinement inducing broken of

英文关键词： block copolymer；confinement；anisotropic morphology；self-assemble；graphene