【作者】 王冬；

【导师】 何学浩；

【作者基本信息】 天津大学 ， 材料化学工程， 2010， 硕士

【摘要】 本文用高分子体系的自洽场理论方法对两亲性星型三嵌段共聚物在稀溶液中的自组装行为进行了计算机模拟研究。在研究体系微相分离所形成的相结构时,主要通过改变亲液组分,疏水组分的链长,三组分之间的相互作用参数,聚合物的浓度等来观察其自组装形成的不同微相结构,并研究其成相的规律,找出一些特殊结构的形成过程。在分析链长对微相分离的影响时,发现在其他参数不变,而单独增大链长时,各组分之间的相互作用也在增大,相分离变得更加局部化,体系更容易发生相分离。同时和实验上所得出的相结构做了比较,发现了和实验研究中有相同的带有尾巴的囊泡结构,但是与他们不同的是,在这组参数条件下,计算机通过足够长时间的计算,这种带有尾巴的囊泡结构并不是最终稳定存在的结构,而是一种中间的过度结构,最后这种结构逐渐消失,转化成片状的层形结构。此外,还发现了实验中没有出现由条带形胶束连接囊泡成空间网状结构等,这些结构对实验研究都有一定的预测性。更多还原

【Abstract】 In the paper, using self-consistent field theory(SCFT) method, we make a study on t he self-assembly of a mphiphilic A BC s tar triblock c opolymer with computer simulation. We main change chain length of A,B,C blocks and the Flory-Huggins interaction parameter with each other and then investigate the structures and the phase behavior of micelles formed in three dimensions, and then find some regulation and the process of some special structures’formation. When we analysis chain length make what affect on phase separation, we found that when we only increase chain length and the other parameters are keep unchanged, the interaction value of each other also increase, the phase separation become more and more localization and also phase separation occurred more easy. At the same time, we make compare with experiment, and found that the vesicles which with tail on the peak of its, this structures also found in experiment, but different with them, under this parameters conditions, the result calculated long enough time by computer, the structure is not the final stability structure, i s a i ntermediate transition state. A nd t he s tructure i s disappeared f inally, chang f rom vesicles to l ayers. And a t th e o ther time , novel muicellarstructures s uch a s v esicles c onnect w ith s trip w hich is d idn’t found i n experiment, these structures have some predictive in experiments.更多还原