Shanghai Key Laboratory of Advanced Polymeric Materials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China.
J Phys Chem B. 2011 Jun 16;115(23):7550-60. doi: 10.1021/jp2021853. Epub 2011 May 18.
Self-assembly of AB diblock copolymer/C homopolymer blends with reversible supramolecular interactions was studied by real-space self-consistent field theory. The reversible bond is formed between the B free end of the AB diblock copolymers and one end of the C homopolymers, and thereby the supramolecular blends consist of the AB diblock copolymers, C homopolymers, and supramolecular ABC terpolymers. The constitutions of the blends are dependent on the bonding strength and blend ratio. The change of the bonding strength and blend ratio leads to a series of hierarchically ordered alternating nanostructures. In these alternating nanostructures, the C homopolymers exhibit a swollen effect on the C substructures, and the coordination number of C cylinders decreases as the bonding strength increases. To gain the information about the hierarchical nanostructures in details, one-dimensional density profiles were plotted. The results were finally compared with the existing experimental findings, and an agreement was shown. The obtained results provided an insight into the role of the supramolecular interactions on the hierarchical nanostructure formations.
通过实空间自洽场理论研究了具有可逆超分子相互作用的 AB 两嵌段共聚物/C 均聚物共混物的自组装。可逆键是在 AB 两嵌段共聚物的 B 端自由末端和 C 均聚物的一端之间形成的，因此超分子共混物由 AB 两嵌段共聚物、C 均聚物和超分子 ABC 三嵌段共聚物组成。共混物的组成取决于键合强度和共混比。键合强度和共混比的变化导致一系列分级有序的交替纳米结构。在这些交替的纳米结构中，C 均聚物对 C 亚结构表现出溶胀效应，并且随着键合强度的增加，C 圆柱的配位数减小。为了详细了解分层纳米结构的信息，绘制了一维密度分布。最后将结果与现有的实验结果进行了比较，结果一致。所得到的结果提供了对超分子相互作用对分级纳米结构形成的作用的深入了解。
