球状三嵌段共聚物在圆柱型受限空间的自组装  

Self-assembly of sphere-forming triblock copolymers under cylindrical confinement

作　　者：谭红革[1] 白瑞娟[1] 刘铁驹[1] 郝清海[1] 邓雅静[1] 

机构地区：[1]中国民航大学理学院,天津300300

出　　处：《计算机与应用化学》2012年第5期549-554,共6页Computers and Applied Chemistry

基　　金：中央高校基本科研业务费(ZXH20090010);国家自然科学基金(20973176)

摘　　要：运用平均场动态密度泛函理论,对球状三嵌段共聚物在圆柱型受限空间的相行为进行了模拟研究。模拟结果表明:在不同的受限空间和表面场中,体系能够形成环绕表面的堆叠圆环、竖直的柱状相、有洞的层状相和同轴的层状相等不同于本体的有序微观结构。另外,新的序参量被定义,较好地反映了嵌段共聚物微观相分离的程度及相变情况。研究结果对实验制备新型高分子纳米材料提供了帮助。With mean-field dynamic density functional theory, we study the phase behavior of sphere-forming triblock copolymers confined in the cylindrical tube with different radiuses. For the bulk sphere-forming copolymers, novel structures such as stacked circles, perpendicular cylinder, perforated lamella, concentric lamellae are observed with different pore size and the surface field strength. Additionally, the order parameter we defined is proposed to explain the interesting phase separation and phase transitions reasonably.

关 键 词：嵌段共聚物 圆柱受限 自组装 平均场动态密度泛函理论 

分 类 号：TB324[一般工业技术—材料科学与工程]