| 纳米粒子在自吸附半柔性高分子诱导下成有序的环形结构 |
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| 引用本文： | 杨志勇,柴爱华,李萍,杨雍福.纳米粒子在自吸附半柔性高分子诱导下成有序的环形结构[J].化学物理学报,2016,29(3):381-388. |
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| 作者姓名： | 杨志勇 柴爱华 李萍 杨雍福 |
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| 作者单位： | 江西农业大学物理系, 南昌 330045,嘉兴学院数理与信息工程学院, 嘉兴 314001,江西农业大学物理系, 南昌 330045,江西农业大学物理系, 南昌 330045 |
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| 基金项目： | This work was supported by the National Natural Science Foundation of China (No.21304039, No.21374102, and No.21174131). |
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| 摘 要： | 采用动态蒙特卡洛方法研究了自吸附半柔性高分子及其自吸附半柔性高分子与纳米粒子组成的混合物的构象行为.自吸附半柔性高分子的构象行为的研究,结果显示通过自吸附参数和弯曲能使高分子从一个线团状构象转变成一个紧密螺绕环状构象.紧密螺绕环状构象的折叠过程分为三个阶段:(i)几个分立的螺绕环(ii)一个松散的螺绕环(iii)一个紧密螺绕环.自吸附半柔性高分子与纳米粒子组成的混合物的构象行为的研究,结果表明可以采用具有紧密螺绕环结构的高分子有效地调控纳米粒子的空间排列.另外观察到一个非常有趣的现象,纳米粒子排列成一个环形结构.
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| 关 键 词： | 动态蒙特卡洛方法 纳米粒子 自吸附性半柔性高分子 紧密螺绕环状构象 环形结构 |
| 收稿时间： | 2015/11/13 0:00:00 |
| 修稿时间： | 1/4/2016 12:00:00 AM |
Ordered Toroid Structures of Nanoparticles in Self-attractive Semi exible Polymer/Nanoparticle Composites |
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| Zhi-yong Yang,Ai-hua Chai,Ping Li and Yong-fu Yang.Ordered Toroid Structures of Nanoparticles in Self-attractive Semi exible Polymer/Nanoparticle Composites[J].Chinese Journal of Chemical Physics,2016,29(3):381-388. |
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| Authors: | Zhi-yong Yang Ai-hua Chai Ping Li and Yong-fu Yang |
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| Institution: | Department of Physics, Jiangxi Agricultural University, Nanchang 330045, China,College of Mathematics Physics and Information Engineering, Jiaxing University, Jiaxing 314001, China,Department of Physics, Jiangxi Agricultural University, Nanchang 330045, China and Department of Physics, Jiangxi Agricultural University, Nanchang 330045, China |
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| Abstract: | By employing dynamic Monte Carlo simulations, we investigate a coil-to-toroid transition of self-attractive semiflexible polymers and the spatial distributions of nanoparticles in selfattractive semiflexible polymer/nanoparticle composites. The conformation of self-attractive semiflexible polymers depends on bending energy and self-attractive interactions between monomers in polymer chains. A three-stage process of toroid formation for self-attractive semiflexible chains is shown: several isolated toroids, a loose toroid structure, and a compact toroid structure. Utilizing the compact toroid conformations of self-attractive semiflexible chains, we can control effectively the spatial distributions of nanoparticles in self-attractive semiflexible polymer nanocomposites, and an unconventional toroid structure of nanoparticles is observed. |
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| Keywords: | Self-attractive semiflexible polymer Nanoparticles Toroidal structure |
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