文献类型：期刊文献

中文题名：Molecular dynamics simulation of the response of bi-disperse polyelectrolyte brushes to external electric fields

英文题名：Molecular dynamics simulation of the response of bi-disperse polyelectrolyte brushes to external electric fields

作者：Zhang, Fen[1];Ding, Huan-Da[1];Duan, Chao[1];Zhao, Shuang-Liang[2];Tong, Chao-Hui[1]

机构：[1]Ningbo Univ, Dept Phys, Ningbo 315211, Zhejiang, Peoples R China;[2]East China Univ Sci & Technol, Coll Chem Engn, Shanghai 200237, Peoples R China

年份：2017

卷号：26

期号：8

中文期刊名：Chinese Physics B

外文期刊名：CHINESE PHYSICS B

收录：CSTPCD;;EI(收录号：20173304052681);Scopus;WOS:【SCI-EXPANDED(收录号:WOS:000407024400004)】；CSCD:【CSCD2017_2018】；

基金：One of the authors, Chao-Hui Tong would like to express his deep appreciation for the support from K.C. Wong Magna Fund in Ningbo University.

语种：英文

中文关键词：polyelectrolyte brushes;electric fields;polydispersity;molecular dynamics

外文关键词：polyelectrolyte brushes; electric fields; polydispersity; molecular dynamics

摘要：Langevin dynamics simulations have been performed to investigate the response of bi-disperse and strong polyacid chains grafted on an electrode to electric fields generated by opposite surface charges on the polyelectrolyte （PE）-grafted electrode and a second parallel electrode. Simulation results clearly show that, under a negative external electric field, the longer grafted PE chains are more strongly stretched than the shorter ones in terms of the relative change in their respective brush heights. Whereas under a positive external electric field, the grafted shorter chains collapse more significantly than the longer ones. It was found that, under a positive external electric field, the magnitude of the total electric force acting on one shorter PE chain is larger than that on one longer PE chain, or vice versa. The effects of smeared and discrete charge distributions of grafted PE chains on the response of PE brushes to external electric fields were also examined.
Langevin dynamics simulations have been performed to investigate the response of bi-disperse and strong polyacid chains grafted on an electrode to electric fields generated by opposite surface charges on the polyelectrolyte (PE)-grafted electrode and a second parallel electrode. Simulation results clearly show that, under a negative external electric field, the longer grafted PE chains are more strongly stretched than the shorter ones in terms of the relative change in their respective brush heights. Whereas under a positive external electric field, the grafted shorter chains collapse more significantly than the longer ones. It was found that, under a positive external electric field, the magnitude of the total electric force acting on one shorter PE chain is larger than that on one longer PE chain, or vice versa. The effects of smeared and discrete charge distributions of grafted PE chains on the response of PE brushes to external electric fields were also examined.