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

作　　者：尹海峰[1] 诸跃进[2] 曾春花[1] 

机构地区：[1]凯里学院理学院,贵州凯里556000 [2]宁波大学物理系,浙江宁波315211

出　　处：《计算物理》2009年第6期917-924,共8页Chinese Journal of Computational Physics

基　　金：黔教科(2008080);凯里学院规划课题(Z0913)资助项目

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.Complex micmstructures assembled with ABC amphiphilic nanoparticle-coil macromolecules are investigated with an extending self- consistent field theory （SCFT） and density functional theory （DFT）. The tail of macromoleeule is an AB diblock eopolymer, 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 nanopartiele is hydrophilie, spherelike mieelles 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 spherehke mieelles to quadrangle or triangle mieelles with increasing of hydrophobie property of blocks A and B. In this ease, block B is distributed in comers of quadrangle or triangle micelles. As block A is hydrophilic, hydrophobie nanopartiele assembles into parallel rods or squares in spberehke mieelles.

关 键 词：软物质 形态结构 自组装 

分 类 号：O631.1[理学—高分子化学]