Conformational Behavior of Single Circular Semiflexible Polyelectrolyte in the Presence of Multivalent Counterions  

作　　者：Zhi-Yong Yang Wen-Long Lin Ai-Hua Chai Dan Lu Nian-Qian Kang Lin-Xi Zhang 

机构地区：[1]Department of Physics,Jiangxi Agricultural University,Nanchang 330045,China [2]Lucheng College,Wenzhou Polytechnic,Wenzhou 325006,China [3]College of data science,Jiaxing University,Jiaxing 314001,China [4]Department of Physics,Zhejiang University,Hangzhou 310027,China

出　　处：《Chinese Journal of Polymer Science》2023年第3期448-458,I0010,共12页高分子科学（英文版）

基　　金：financially supported by the National Natural Science Foundation of China (Nos. 21863003, 22173080, 21873082, 21674096 and 61762048);the Jiangxi Provincial Natural Science Foundation (No.20202BABL203015)。

摘　　要：Langevin dynamics simulations are employed to explore the effects of chain stiffness and electrostatic interaction(EI) on the conformational behavior of a circular semiflexible polyelectrolyte(CSPE) in presence of trivalent counterions.We investigate the effect of bending energy b and the dimensionless Bjerrum length A on the conformational behavior of the CSPE with a fixed chain length.The competition among the EIs,chain stiffness and entropy of the system leads to rich conformations for the CSPE.As the b is less than or equal to 50,The shape of the CSPE changes from a oblate ring to a rod at small A,then to a toroid at intermediate A,and finally to a globule at very large A.However,the globular conformation is not observed for large b.In addition,we find that the number of torus ring increases with A increase,while decreases with b increase.This study should be helpful in gaining insight into the conformational behaviour of charged biopolymer.

关 键 词：Langevin dynamics simulation Circular semiflexible polyelectrolyte Trivalent counterions Electrostatic interaction 

分 类 号：O631.1[理学—高分子化学]