项目名称: 嵌段共聚物/均聚物共混体系宏观与微观相分离的竞争机理
项目编号: No.50873098
项目类型: 面上项目
立项/批准年度: 2009
项目学科: 生物科学
项目作者: 孙昭艳
作者单位: 中国科学院长春应用化学研究所
项目金额: 35万元
中文摘要: 本项目利用无规相近似方法、自洽场理论以及自洽场理论同格子波尔兹曼相结合的方法,研究了嵌段共聚物/均聚物共混体系的宏观相分离与微观相分离的竞争行为。我们首先利用无规相近似方法,预测了具有不同拓扑结构的嵌段共聚物/均聚物共混体系的spinodal曲线,并基于自洽场理论,进一步计算了嵌段共聚物/均聚物共混体系的相平衡曲线。为了更好地研究链结构对嵌段共聚物/均聚物共混体系相行为的影响,我们利用自洽场理论预测了H形嵌段共聚物的微观相分离行为。同时,我们发展了动态自洽场理论以及自洽场理论与格子波尔兹曼相结合的方法,研究了嵌段共聚物的微相分离动力学、线形嵌段共聚物/均聚物共混体系的相分离动力学以及H形嵌段共聚物/均聚物共混体系的宏观相分离和微观相分离动力学,分析了不同类型体系的相图差异及相结构的动态演化过程,给出了宏观相分离与微观相分离竞争的物理本质,分析了相应的相分离机理,基本完成了项目任务书中所列的研究内容和研究目标。在基金资助期间,共发表SCI收录的学术论文7篇,参加5次国际国内学术会议并做邀请报告。
中文关键词: 嵌段共聚物;共混物;宏观相分离;微观相分离;计算机模拟
英文摘要: By using random phase approximation(RPA), self-consistent field theory(SCFT) and SCFT coupled with lattice Boltzmann (LB) method, we studied the competetion behavior between macro-phase and micro-phase separation of block copolymer/homopolymer mixtures. We predicted the spinodal of block copolymer/homopolymer mixtures with different chain architechture by RPA method. Furthermore, we obtained the phase diagram of block copolymer/homopolymer mixtures by SCFT. To better understand the chain architechture dependence on the phase behavior of polymer mixtures, we further predicted the micro-phase separation behavior of H-shaped block copolymers. Moreover, we studied the dynamics of micro-phase separation of linear AB block copolymers, and the dynamics of macro-phase and micro-phase separation of linear ABA/B mixtures and H-shaped A2BA2/B mixtures. We proposed the possible physical insight of the competetion between macrophase and microphase separation. There are 7 research papers directly related to this project, published in softmatter, polymer et al. 5 invited talks were given in different academic conferences.
英文关键词: block copolymer;blends;macro-scale phase separation;micro-phase separation; computer simulation