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超分子结构与材料国家重点实验室 吉林大学理论化学研究所 长春 130012
[ "钱虎军,男,1979年生. 分别于2002年及2007 年在吉林大学获得工学学士及理学博士学位. 2007 ~ 2009年,2009 ~ 2011分别于德国达姆施塔特工业大学化学系和日本名古屋大学化学系从事博士后研究,2011年加入吉林大学理论化学研究所,2015年加入吉林大学超分子材料与结构国家重点实验室,同年任吉林大学教授、博士生导师. 主要从事聚合物结构与动力学模拟、功能高分子材料设计等领域的研究工作. 在Phys. Rev. Lett.、Macromolecules、J. Chem. Phys.等国际学术期刊发表研究论文50 余篇. 2015 年获国家自然科学基金委优秀青年科学基金支持" ]
[ "吕中元,男,1973年生. 分别于1994年及1999 年在吉林大学获得工学学士及理学博士学位. 1999年9月 ~ 2003年3月在德国伍珀塔尔大学物理系从事博士后研究工作。2003年3月任吉林大学副教授,2005年1月至今任吉林大学教授、博士生导师. 主要从事聚合物结构与动力学模拟、多尺度模拟方法与程序开发等领域的研究工作. 在本领域国际学术期刊发表研究论文100 余篇. 2010年获国家杰出青年科学基金支持. 入选第二批“万人计划”科技创新领军人才" ]
纸质出版日期:2020-1,
网络出版日期:2019-11-25,
收稿日期:2019-8-14,
修回日期:2019-10-12,
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钱虎军, 吕中元. 高分子/单链高分子纳米粒子复合体系中的界面性质[J]. 高分子学报, 2020,51(1):55-65.
Hu-jun Qian, Zhong-yuan Lu. Interface Properties in Polymer/Single-chain Nanoparticle Composite[J]. Acta Polymerica Sinica, 2020,51(1):55-65.
钱虎军, 吕中元. 高分子/单链高分子纳米粒子复合体系中的界面性质[J]. 高分子学报, 2020,51(1):55-65. DOI: 10.11777/j.issn1000-3304.2020.19152.
Hu-jun Qian, Zhong-yuan Lu. Interface Properties in Polymer/Single-chain Nanoparticle Composite[J]. Acta Polymerica Sinica, 2020,51(1):55-65. DOI: 10.11777/j.issn1000-3304.2020.19152.
高分子与纳米粒子复合是改善高分子材料性能的有效途径. 近20年来关于高分子/纳米粒子复合物的研究引起了学术界广泛的兴趣. 然而由于此类体系中的影响因素复杂,虽然学者们在相关材料性能的研究方面取得了重要进展,但是相关理论的发展却相对滞后,其中一个重要原因是实验上表征手段的缺失,导致对体系中纳米粒子与本体高分子链相互作用规律的认识(尤其是两者界面性质的认识)不够. 本文总结和阐述了我们近几年利用分子动力学模拟技术研究高分子/单链高分子纳米粒子复合体系的主要结果,并围绕此类复合体系中的界面结构及动力学性质,讨论并总结了纳米粒子对本体高分子链的作用范围及影响规律,指出单链纳米粒子对熔体链的作用范围与纳米粒子的自身尺寸相当,而与熔体高分子链的分子量没有直接的关系. 该结论将为纳米复合体系高分子理论的发展提供重要参考.
It is a practical method to control the property of polymer material by incorporating nanoparticles. Recently polymer/nanoparticle composites have drawn increasing attention in the polymer field. Although researchers have made apparent progresses in the property regulation of polymeric materials by incorporating nanoparticles
progress in the development of the corresponding theory is
however
greatly inhibited
due to the lack of proper characterization approach
especially on the interaction mechanism between various nanoparticles and matrix polymers mainly at their interface area. This mini review summarizes recent simulation results of our research group
especially on a polymer/nanoparticle composite system where nanoparticles are single-chain crosslinked polymer nanoparticles with the same chemical composition as matrix polymers. In particular
after a thorough discussion of the structure and dynamic properties at nanoparticle/polymer interface region
it is clear that the interface in this system
where nanoparticle and matrix polymer interact effectively
has approximately the same size as nanoparticle itself. This interface size has no dependence of matrix polymer chain length. We hope that this conclusion can be helpful for the further development of relevant theory for polymer/nanocomposite systems.
高分子纳米复合物单链高分子纳米粒子结构与动力学界面性质
Polymer/nanoparticle compositeSingle-chain nanoparticleStructure and dynamicsInterface property
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