基于自洽场理论两亲高分子自组装的研究
Self-assembling of Amphiphilic Macromolecules: Self-consistent Field Theory
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摘要: 运用扩展的自洽场和密度泛函理论(SCF/DFT),研究ABC蝌蚪形两亲高分子在稀溶剂中的自组装形态,其中蝌蚪形两亲高分子由线形嵌段共聚物链AB嫁接到球形纳米颗粒C上构成.与以往研究的线形ABC两亲高分子相比,蝌蚪形两亲高分子的自组装形态有着很大的不同.在粒子亲溶剂,嵌段共聚物疏溶剂时,各组分间弱分凝条件下,蝌蚪形两亲高分子自组装成胶球状形貌;在强分凝条件下,随着嵌段共聚物疏溶剂性的增强,两亲高分子的自组织态由胶球状转变成四角、三角状形貌,其中嵌段B主要分布在各角上.通过改变各组分间的相互作用,在嵌段A亲溶剂,嵌段B和粒子疏溶剂时,粒子呈平行棒状或小方块状分布在胶球中.Abstract: Complex microstructures assembled with ABC amphiphilic nanoperticle-coil macromolecules are investigated with an extending serfconsistent field theory (SCFT) and density functional theory (DFT). The tail of macromolecule is an AB dibiock copolymer, and the attached "head" is a nanoparticle in dilute solution. Serf-assembly morphologies of ABC "tadpole" are different from aggregate morphologies of linear ABC triblock copolymers. As nanoparticle is hydrophilic, spherelike micelles are observed in a weak segregation state. While interaction between different species of "tadpole" increases to a strong segregation state, aggregate morphologies of tadpole transform from spherelike micelles to quadrangle or triangle micelles with increasing of hydrophobic property of blocks A and B. In this case, block B is distributed in corners of quadrangle or triangle micelles. As block A is hydrophilic, hydrophobic nanoparticle assembles into parallel rods or squares in spherelike micelles.
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