表面交替吸附的圆柱受限下两嵌段共聚物自组装的理论研究  

Theoretical Study on the Self-assembly of Diblock Copolymers under Cylindrical Confinement with Alternately Adsorbed Surfaces

作　　者：解鹏杰 王倩佩 刘美娇 Peng-jie Xie;Qian-pei Wang;Mei-jiao Liu(Key Laboratory of Surface&Interface Science of Polymer Materials of Zhejiang Province,School of Chemistry and Chemical Engineering,Zhejiang Sci-Tech University,Hangzhou 310018)

机构地区：[1]浙江省高分子材料表面与界面科学重点实验室、浙江理工大学化学与化工学院,杭州310018

出　　处：《高分子学报》2024年第9期1251-1261,共11页Acta Polymerica Sinica

基　　金：国家自然科学基金(基金号22373086)资助项目.

摘　　要：利用自洽场理论(SCFT)计算研究了AB两嵌段共聚物在交替吸附的圆柱受限下的自组装行为,重点研究了碟状(disk,Dk)结构的稳定性和相区域,构建了关于交替吸附周期w、圆柱孔径D以及A嵌段体积分数f的一系列相图.结果表明,Dk结构的稳定性在表面场的诱导下得到很大的提高,特别是w≈5.0Rg时Dk结构变得更稳定.固定w=5.0Rg的情况下,Dk结构的形貌随着圆柱孔径D和A嵌段体积分数f的变化而变化,在一定的D-f线性变化区间,Dk结构可以形成具有负曲率的双凹碟状形貌,否则形成椭球或圆环形貌.此外,在这样的特殊的表面场诱导下还出现了一些有趣的新型柱结构以及具有规则排列的球形结构.这些研究加深了对圆柱受限表面场诱导嵌段共聚物自组装相行为的理解,为实验上制备类似的复杂结构提供了理论指导.The self-consistent field theory(SCFT)is employed to study the self-assembly behavior of AB diblock copolymers confined in alternately adsorbed nanopores.Focusing on the emergence and stability of the disk(Dk)phases,a series of phase diagrams are constructed with respect to the alternating adsorption period(w),size of the cylindrical pore(D),and the volume fraction of the A block(f).The results indicate a significant enhanced stability of Dk structure by the alternately adsorbing surface fields.The Dk structure is especially favored,when the alternating adsorption period is around 5.0Rg.With fixed w=5.0Rg,the appearance of the Dk structure is tuned by D and f,it forms biconcave shape with negative curvatures within a certain varying ranges of D and f,otherwise it transforms into ellipsoidal or toroid shapes.Additionally,a number of novel cylinders and regularly arranged spheres emerged in the nanopores with specific surface fields.The results deepen the understanding of self-assembly behavior of block copolymers under cylindrical confinements,and provide theoretical guidance for the experimental preparation of such complex structures.

关 键 词：嵌段共聚物 自组装 圆柱受限 表面场诱导 自洽场理论 

分 类 号：O631[理学—高分子化学]