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材料导报  2022, Vol. 36 Issue (15): 21030320-5    https://doi.org/10.11896/cldb.21030320
  高分子与聚合物基复合材料 |
聚合物刷在溶剂中的自组装行为及弹性响应
李慧姝1,*, 卢豪2,*, 顾宇红1
1 苏州经贸职业技术学院信息技术学院,江苏 苏州 215009
2 苏州科技大学材料科学与工程学院,江苏 苏州 215009
Self-assembly Behavior and Elastic Response of Polymer Brushes in Solvents
LI Huishu1,*, LU Hao2,*, GU Yuhong1
1 School of Information Technology, Suzhou Institute of Trade & Commerce, Suzhou 215009, Jiangsu, China
2 School of Materials Science and Engineering, Suzhou University of Science and Technology, Suzhou 215009, Jiangsu, China
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摘要 通过密度场化后粒子表象下的Monte Carlo模拟得到半柔性均聚物刷在不良溶剂中的自组装形貌,发现半柔性刷在不良溶剂中随着链刚性的增强,链自由端产生拉伸,链刷高度明显增加,同时链刷内部出现空洞,顶部出现“搭桥”行为。通过在聚合物刷的顶部进行压板的方法来计算聚合物刷的表面弹性,这种计算表面弹性的新方法省去了场论模拟中复杂的理论推导过程,结果显示在受压迫后聚合物刷的弹性表现出先缓慢上升后急剧增长的趋势。在良溶剂环境下,在受到相同压迫时,柔性聚合物刷的弹性响应能力比半柔性聚合物刷更强。
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李慧姝
卢豪
顾宇红
关键词:  半柔性聚合物刷  弹性响应  Monte  Caolo模拟  自组装    
Abstract: This work use Monte Carlo simulation which relies on particle-based and density field to get self-assemble morphology of semi-flexible polymer brushes in poor solvents. It's revealed that in poor solvent, the free ends of the chains are stretched and the height of the chain brushes increases significantly as the chain rigidity enhances. Meanwhile, the internal cavity of the chain brushes can be observed and the ‘bridging’ behavior appears at the top. To further study the elastic response of polymer brushes, an alternative way is offered to calculate the surface elasticity of polymer brushes by pressing the weight plate on the top of polymer brushes, by virtue of which a complex theoretical derivation process on field simulation is saved. The results show that the elasticity of the polymer brush rise slowly at first but then varies sharply under compression. Results also display that the flexible polymer brushes take on better elastic response than semi-flexible ones under the same pressure in good solvent.
Key words:  semi-flexible polymer brushes    elastic response    Monte Carlo simulation    self-assembly
出版日期:  2022-08-10      发布日期:  2022-08-15
ZTFLH:  O63  
  O64  
  O469  
基金资助: 国家自然科学基金(51802210);江苏省高等学校自然科学研究面上项目(22KJB140014);江苏省双创博士(JSSCBS20210807);中国博士后科学基金 (2019M651935);2020 年苏州经贸职业技术学院院级项目(YJ-ZK2012)
通讯作者:  *lihuishu1019@126.com;luhaoshaobo@163.com   
作者简介:  李慧姝,2012年6月毕业于苏州大学,获得理学学士学位,2017年12月毕业于苏州大学,获得理学博士学位。2019—2020年在苏州大学软凝聚态交叉研究中心从事博士后研究。目前在苏州经贸职业技术学院担任讲师。主要从事聚合物结构与性能、活性物质与聚合物混合体系的研究。
卢豪,2012年6月毕业于苏州大学,获得理学学士学位,2017年6月毕业于苏州大学,获理学博士学位。于2015年至2016年在日本国家材料科学研究所联合培养学习。主要从事光电转换领域的研究。
引用本文:    
李慧姝, 卢豪, 顾宇红. 聚合物刷在溶剂中的自组装行为及弹性响应[J]. 材料导报, 2022, 36(15): 21030320-5.
LI Huishu, LU Hao, GU Yuhong. Self-assembly Behavior and Elastic Response of Polymer Brushes in Solvents. Materials Reports, 2022, 36(15): 21030320-5.
链接本文:  
http://www.mater-rep.com/CN/10.11896/cldb.21030320  或          http://www.mater-rep.com/CN/Y2022/V36/I15/21030320
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