PEG-b-PDMS-b-PEG微相分离结构的耗散粒子动力学模拟  

Dissipative particle dynamics simulation of the microphase separation of PEG-b-PDMS-b-PEG

作　　者：张旭茗[1] 李莉[1] 张玉[1] 

机构地区：[1]哈尔滨工程大学材料科学与化学工程学院,黑龙江哈尔滨150001

出　　处：《哈尔滨工程大学学报》2012年第6期782-786,共5页Journal of Harbin Engineering University

基　　金：黑龙江省自然科学基金资助项目(E201105)

摘　　要：为了探讨PEG-b-PDMS-b-PEG三嵌段共聚物中链段含量对其微相分离结构的影响规律,采用耗散粒子动力学模拟方法,建立了不同PEG链段含量的共聚物介观结构模型.通过介观相分离过程及形态的模拟,分析了相形貌与侧链接枝密度的依赖关系.模拟结果表明,随着嵌段共聚物体系中侧链密度的增加,微相分离结构呈现规律性变化,出现了粒状、岛状及双连续相等不同形态的介观结构.同时,对PEG含量为28%的PEG-b-PDMS-b-PEG三嵌段梳型共聚物的原子力形貌观察结果表明,其具有一定的相分离结构.In order to discuss the effect of chain segment contents on the microphase separation structure of triblock comb copolymer PEG-b-PDMS-b-PEG, mesoscopic structure models of copolymers with varying PEG segment contents were built using the dissipative particle dynamics （DPD） method. Through simulation of the meso-phase separation process and morphology, the relationship between the morphology of the meso-phase and graft density was analyzed. It was indicated that regular changes appear in microphase structures with the increase of graft density in copolymers; furthermore, granular, island, and bicontinuous phase structures emerge in the structures. At the same time, the atomic force microscope image result of the triblock comb copolymer PEG-b-PDMS-b-PEG with 28 % PEG molar content shows that the copolymer has certain microphase separation structures.

关 键 词：嵌段共聚物 耗散粒子动力学 微相分离 介观模型 表面形貌 

分 类 号：O631.1[理学—高分子化学]