非对称半结晶两嵌段共聚物的微相分离与结晶行为的模拟退火研究

计算物理 ›› 2007, Vol. 24 ›› Issue (1): 95-98.

非对称半结晶两嵌段共聚物的微相分离与结晶行为的模拟退火研究

尹玉华¹, 孙平川², 李宝会¹, 金庆华¹, 丁大同¹

1. 南开大学物理学院, 天津 300071;
2. 南开大学化学学院, 功能高分子材料重点实验室, 天津 300071

收稿日期:2005-10-28 修回日期:2006-02-22 出版日期:2007-01-25 发布日期:2007-01-25
作者简介:尹玉华(1975-),女,河北故城,博士,从事软凝聚态物理计算研究.
基金资助:
自然科学基金(No.20474034,20274020,20374031,20373029);教育部南开大学、天津大学科技合作基金;高等学校骨干教师资助计划(GG-703-10055-1008)资助

Simulated Annealing Study of Microphase Separation and Crystallization in Asymmetric Semicrystalline Diblock Copolymers

YIN Yuhua¹, SUN Pingchuan², LI Baohui¹, JIN Qinghua¹, DING Datong¹

1. College of Physics, Nankai University, Tianjin 300071, China;
2. Key Laboratory of Functional Polymer Materials, Co. Uege of Chemistry, Nankai University, Tianjin 300071, China

Received:2005-10-28 Revised:2006-02-22 Online:2007-01-25 Published:2007-01-25

摘要/Abstract

摘要： 利用模拟退火方法研究非对称半结晶两嵌段共聚物熔体分别在弱分离和强分离条件下的结晶过程.考察微相分离作用和结晶作用的相对强度对柱状组成的两嵌段共聚物平衡形态的影响.研究结果表明,当嵌段间的相互排斥作用较弱时,结晶便破坏了柱状畴;当此相互作用足够强时,结晶过程可以有效地被限制在熔体微相分离所形成的柱状畴内.另外,介于上述两种情形之间还存在一个模板区域,此时熔体形成的柱状畴大部分被保留下来,但在局部会变形或连通.这些结果和文献报道的实验结果一致.当嵌段间的相互排斥作用非常强时,结晶被抑制,微相分离主导最终形态,观察到了非晶态结构.

关键词: 模拟退火方法, 半结晶两嵌段共聚物, 结晶行为, 微相分离

Abstract: A simulated annealing method is used to study the microphase separation and crystallization in cylinder-forming semicrystalline diblock copolymers.The final structure depends on the relative strength of the microphase separation and the crystallization of one block copolymers.As the interblock segregation strength is relatively weak,crystallization disrupts cylindrical microphase.As the interblock segregation strength is sufficiently strong,crystallization is effectively confined within cylindrical domains formed by microphase separation in the melt.A range of intermediate segregation strength exists between the two cases,in which the crystallization is templated but not wholly confined within the nanoscale domains prescribed by microphase separation.The melt morphology is mostly retained in cooling,and the local distortions and connections between cylinders occur due to crystallization.The simulation is consistent with recently reported experimental results.In addition,as the interblock segregation strength is very strong,the crystallization is restrained which results in amorphous structures.

Key words: simulated annealing, semicrystalline diblock copolymer, crystallization, microphase separation

中图分类号:

O631.1⁺3

尹玉华, 孙平川, 李宝会, 金庆华, 丁大同. 非对称半结晶两嵌段共聚物的微相分离与结晶行为的模拟退火研究[J]. 计算物理, 2007, 24(1): 95-98.

YIN Yuhua, SUN Pingchuan, LI Baohui, JIN Qinghua, DING Datong. Simulated Annealing Study of Microphase Separation and Crystallization in Asymmetric Semicrystalline Diblock Copolymers[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2007, 24(1): 95-98.