| 两亲性接枝共聚物在选择性溶剂中自组装行为的模拟研究 |
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| 引用本文： | 张静,朱有亮,裴汉文,刘鸿.两亲性接枝共聚物在选择性溶剂中自组装行为的模拟研究[J].高等学校化学学报,2013,34(4):939-945. |
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| 作者姓名： | 张静 朱有亮 裴汉文 刘鸿 |
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| 作者单位： | 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 |
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| 基金项目： | 国家自然科学基金(批准号:21104025)和中国博士后科学基金(批准号:2012T50286)资助. |
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| 摘 要： | 利用粗粒化分子动力学(CGMD)方法研究了两亲性接枝共聚物在不同选择性溶剂中的自组装行为. 分析了主链刚性及链长对自组装结构的影响. 研究结果表明, 当溶剂对主链为良溶剂而对支链为不良溶剂时, 两亲性接枝共聚物随主链刚性的增加自组装形成花状胶束、 花桥状胶束及桥状胶束, 并且组分比例对自组装结构影响很大; 随着链长的增加, 柔性链出现单花状胶束到多花状胶束的转化. 当溶剂对主链为不良溶剂而对支链为良溶剂时, 可得到近球形或椭球形核壳状胶束及束状结构; 不同链长时, 柔性接枝共聚物链均只能得到近球形的单核壳状胶束.
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| 关 键 词： | 两亲性接枝共聚物 自组装 选择性溶剂 花状胶束 桥状胶束 核壳状胶束 |
| 收稿时间： | 2012-08-01 |
Self-assembly of Amphiphilic Graft Copolymer in Selective Solvent |
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| ZHANG Jing,ZHU You-Liang,PEI Han-Wen,LIU Hong.Self-assembly of Amphiphilic Graft Copolymer in Selective Solvent[J].Chemical Research In Chinese Universities,2013,34(4):939-945. |
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| Authors: | ZHANG Jing ZHU You-Liang PEI Han-Wen LIU Hong |
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| Institution: | State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China |
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| Abstract: | The self-assembly of amphiphilic graft copolymer in different selective solvent was studied by coarse-grained molecular dynamics(CGMD) simulations. Influence of the rigidity of the backbone chain is mainly focused on. The results show that, when the solvent is good for the backbone while bad for the branches, flower micelle, flower-bridge micelle and bridge micelle can be obtained by increasing the rigidity of the backbone, when the solvent is bad for the backbone while good for the branches, core-shell structure with spherical or ellipsoidal shape, as well as the bunch structure, can be observed. Only the single core-shell structure can be obtained even for long chains in this selective solvent. |
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| Keywords: | Amphiphilic graft copolymer Self-assembly Selective solvent Flower micelle Bridge micelle Core-shell micelle |
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