刚柔刚三嵌段共聚物纳米颗粒在选择性溶剂中自组装的耗散粒子动力学模拟-化学专业论文.docxVIP

重庆大学 重庆大学硕士学位论文 英文摘要 II II ABSTRACT The self-assembly of macromolecules has become one of the research hotspots in polymer field in these years. As a kind of special macromolecule, rod-coil block copolymer could self-assemble to form a series of different structures since the anisotropy and orientational ordering of rigid chain. These special nanoscale structures have potential applications in many areas, thus the study on the self-assembly of rod-coil block copolymers in solvents has been widely concerned. Now the research mainly focuses on the rod-coil diblock copolymer. Rod-coil-rod triblock and more complex three-arm star rod-coil block copolymer have been little studied. In this paper, the self-assembly behaviors of rod-coil-rod triblock copolymer, three-arm star rod-coil block copolymer, and three-arm star rod-coil block copolymer / nanoparticles in selective solvents were studied by dissipative particle dynamics (DPD) method. Using DPD method, the self-assembly of rod-coil-rod triblock (RxCyRx) in different solvents was studied, especially focusing on the impact of polymer concentration and the chain length on the aggregate morphologies. Many kinds of micelles, such as spheres, nematic bundles, worms, cylinders, perforated lamellae, lamellae, coil- and rod-aggregated hollow cylinders, networks and several melted phases, were obtained. In the coil-selective solvent, increasing coil length can defer the phase transition from sphere to other morphologies while increasing rod length can advance the transition. In the rod-selective solvent, an opposite influence rule is found. Theoretically, these morphologies and morphological transitions are controlled by minimizing the micellar free energy, which drives the rod-coil-rod copolymers to take the different shape and undergo the phase transition. The self-assembly of three-arm star rod-coil block copolymer (RC)3 in different solvents were studied, and the impact of polymer concentration and chain length on the self-