Cao Xiaorong, Xu Guiying, Li Yiming, Zhang Zhiqing
Key Laboratory of Colloid and Interface Chemistry (Shandong University), Ministry of Education, Jinan 250100, P. R. China.
J Phys Chem A. 2005 Nov 17;109(45):10418-23. doi: 10.1021/jp053636r.
The dissipative particle dynamics (DPD) simulation method was applied to simulate the aggregation behavior of three block copolymers, (EO)16(PO)18, (EO)8(PO)18(EO)8, and (PO)9(EO)16(PO)9, in aqueous solutions. The results showed that the size of the micelle increased with increasing concentration. The diblock copolymer (EO)16(PO)18 would form an intercluster micelle at a certain concentration range, besides the traditional aggregates (spherical micelle, cylindrical micelle, and lamellar phase); while the triblock copolymer (EO)8(PO)18(EO)8 would form a spherical micelle, cylindrical micelle, and lamellar phase with increasing concentration, and (PO)9(EO)16(PO)9 would form intercluster aggregates, as well as a spherical micelle and gel. New mechanisms were given to explain the two kinds of intercluster micelle formed by the different copolymers. It is deduced from the end-to-end distance that the morphologies of the diblock copolymer and triblock copolymer with hydrophilic ends were more extendible than the triblock copolymer with hydrophobic ends.
采用耗散粒子动力学（DPD）模拟方法，对三种嵌段共聚物（EO）16（PO）18、（EO）8（PO）18（EO）8和（PO）9（EO）16（PO）9在水溶液中的聚集行为进行了模拟。结果表明，胶束尺寸随浓度增加而增大。二嵌段共聚物（EO）16（PO）18在一定浓度范围内除形成传统聚集体（球形胶束、圆柱形胶束和层状相）外，还会形成簇间胶束；而三嵌段共聚物（EO）8（PO）18（EO）8随浓度增加会形成球形胶束、圆柱形胶束和层状相，（PO）9（EO）16（PO）9会形成簇间聚集体以及球形胶束和凝胶。给出了新的机理解释不同共聚物形成的两种簇间胶束。由端到端距离推断，具有亲水端的二嵌段共聚物和三嵌段共聚物的形态比具有疏水端的三嵌段共聚物更具伸展性。
