Computer simulations on switching effect of nanopores modified by dual-responsive block polymers

Zheng CHEN; Li WANG; Jian ZHOU

doi:10.11949/j.issn.0438-1157.20180596

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Computer simulations on switching effect of nanopores modified by dual-responsive block polymers

Material science and engineering, nanotechnology | 更新时间：2020-06-24

- Computer simulations on switching effect of nanopores modified by dual-responsive block polymers
- CIESC Journal Vol. 70, Issue 1, Pages: 271-279(2019)
- 作者机构：
  
  华南理工大学化学与化工学院，广东省绿色化学产品技术重点实验室，广东广州 510640
- 作者简介：
- 基金信息：
- DOI：10.11949/j.issn.0438-1157.20180596
  CLC： O 641.3
- Received：01 June 2018，
  
  Revised：2018-10-15，
  
  Published：05 January 2019
- 稿件说明：
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陈政, 王莉, 周健. 双响应性嵌段聚合物的纳米孔开关效应的计算机模拟[J]. 化工学报, 2019, 70(1): 271-279

CHEN Zheng, WANG Li, ZHOU Jian. Computer simulations on switching effect of nanopores modified by dual-responsive block polymers[J]. CIESC Journal, 2019, 70(1): 271-279
陈政, 王莉, 周健. 双响应性嵌段聚合物的纳米孔开关效应的计算机模拟[J]. 化工学报, 2019, 70(1): 271-279 DOI： 10.11949/j.issn.0438-1157.20180596.

CHEN Zheng, WANG Li, ZHOU Jian. Computer simulations on switching effect of nanopores modified by dual-responsive block polymers[J]. CIESC Journal, 2019, 70(1): 271-279 DOI： 10.11949/j.issn.0438-1157.20180596.

摘要

利用计算机模拟方法(耗散粒子动力学)研究了双响应性嵌段聚合物修饰的纳米孔的开关效应。通过在纳米孔内接枝具有温度和pH响应的嵌段聚合物(

N-

异丙基丙烯酰胺和丙烯酸)，研究不同嵌段序列(即wall-PNIPAM-PAA或wall-PAA-PNIPAM)对纳米孔开关效应的影响，结果表明，只有wall-PNIPAM-PAA嵌段序列可以实现纳米孔在不同条件下的开关效应。同时还探究了接枝密度、链长和嵌段比例对纳米孔开关效应的影响，结果表明，中高等接枝密度、适合的链长和中等比例的嵌段比可以实现不同特征的纳米孔，用于控制纳米孔的开关效应。

Abstract

The switching effect of the dual-responsive block polymer modified nanopore was studied by computer simulation method (dissipative particle dynamics). The dual-responsive block polymers were grafted into nanopores with temperature responsive (

N-

isopropylacrylamide

PNIPAM) and pH responsive (acrylic acid

PAA).The effect of different block sequences (wall-PNIPAM-PAA or wall-PAA-PNIPAM) on the nanopore switching was studied. The results show that only the wall-PNIPAM-PAA block sequence can realize the different switching effects of nanopores under different conditions. Meanwhile

the effects of different grafting density

chain length and different block ratio on the nanopore switching effect were also investigated. The results show that different nanopores can be realized at the moderate to high grafting density

the suitable chain length and the medium block ratio

which can be used to control the size of the switch.

关键词

Keywords

references

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