梳型嵌段共聚物微观相分离的耗散粒子动力学模拟  

Comb-like Block Copolymer Microphase Separation Studied by Dissipative Particle Dynamics Simulations

作　　者：刘英涛[1] 李占伟[1] 吕中元[1] 李泽生[1] 

机构地区：[1]吉林大学理论化学研究所,理论化学计算国家重点实验室,长春130023

出　　处：《高等学校化学学报》2008年第6期1200-1204,共5页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金(批准号:20490220,20774036);吉林省科技发展计划重点项目(批准号:20050562);教育部留学回国人员科研启动基金资助

摘　　要：利用耗散粒子动力学(Dissipative particle dynamics,DPD)模拟方法研究了二维梳型嵌段共聚物的微观相分离,得到了相形貌与侧链长度及链段间相互作用的依赖关系,进一步与线型和星型嵌段共聚物微观相分离进行了对比.模拟结果揭示了本体中影响梳形嵌段共聚物微观相分离的主要因素,包括嵌段共聚物的组成、拓扑结构以及不同粒子间的排斥力.Dissipative particle dynamics simulations are carried out to study the microphase separation of comb-like block copolymer in two dimensions. By systematically varying the side chain lengths and the repulsion strength between the two components, we find various morphologies. For comparison, the linear and starlike block copolymers are also studied in the simulations. The results reveal the main factors that affect the microphase separation of comb-like block copolymers in melts.

关 键 词：微观相分离 耗散粒子动力学模拟 梳形嵌段共聚物 

分 类 号：O641[理学—物理化学] O631[理学—化学]