中文摘要：

采用模拟退火方法研究了一端锚定在平面上的非对称ABA型三嵌段共聚物在选择性溶剂中的自组装形态．针对溶剂对A单体为不良、对B单体为良溶剂的体系，在不同B嵌段长度下，研究了锚定A嵌段和末端A嵌段长度的非对称性对溶液中共聚物聚集体形态的影响；并构建了不同体系的相图．研究表明锚定三嵌段共聚物可自组装形成半球状、蠕虫状、条状、连通条状和孔层状等单层A聚集体和半球状一球状、蠕虫状一球状、和条状一球状等双层A聚集体结构．增加锚定A嵌段的长度有利于单层A聚集体形态的形成；而增加末端A嵌段的长度或亲溶剂B嵌段的长度则有利于双层A聚集体形态的形成．通过对单体与溶剂间接触数的统计分析，对体系形态的转变进行了解释；模拟结果与文献进行了比较．

英文摘要：

Self-assembly of linear, asymmetric ABA triblock copolymers is investigated using a simulated annealing method,in which the copolymers are anchored regularly onto a planar surface through one end of the A-blocks with an equal ＂space＂ and immersed in a selective solvent that is good for the middle B-blocks but poor for the tethered and outer A-blocks. For systems with different lengths of the middle B-blocks, the influence of the asymmetry of the copolymer chains on the morphologies of the end-anchored triblock copolymers is studied, and phase diagrams for different systems are constructed. Snapshots, polymer density profiles, fraction of the ＂ folded chains＂ and typical chain conformations are used to provide detailed information about the system. The simulation results show that the copolymers can self-assemble to form a variety of morphologies, such as structures with one A-rich layer including semispherical pinned micelles, wormlike micelles, stripe structures, connected stripe structures and perforated layered structures, and structures with two A-rich layers including semispheres-spheres, wormlike micelles-spheres and stripes-spheres. It is found that morphological transitions from structures with one A-rich layer to structures with two A-rich layers can be induced by increasing the length of the outer A-blocks or/and the length of the B-blocks as well as by decreasing the length of the anchored A-blocks. These morphological transitions are illustrated based on an analysis of the average contact number between different species in the system. Our simulation results were compared with the available experimental studies.