Conformational behavior of single circular semiflexible polyelectrolyte in presence of multivalent counterions
Conformational behavior of single circular semiflexible polyelectrolyte in presence of multivalent counterions
复制标题
多价抗衡离子存在下单圆形半柔性聚电解质的构象行为
DOI：
10.1007/s10118-022-2842-x
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发表时间：
2023
影响因子：
4.3
通讯作者：
Linxi Zhang
中科院分区：
文献类型：
--
作者：
Zhiyong Yang;Wenlong Lin;Aihua Chai;Dan Lu;Nianqian Kang;Linxi Zhang
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 energyband the dimensionless Bjerrum length A on the conformational behaviour 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 thebis less than or equal to 50, The shape of the CSPE changes from a oblate ring to a rod at smallA, then to a toroid at intermediateA, and finally to a globule at very largeA. However, the globular conformation is not observed for largeb. In addition, we find that the number of torus ring increases withAincrease, while decreases withbincrease. This study should be helpful in gaining insight into the conformational behaviour of charged biopolymer.
