The Persistence Length of Semiflexible Polymers in Lattice Monte Carlo Simulations

Overview

Journal Polymers (Basel)

Publisher MDPI

Date 2019 Apr 10

PMID 30960279

Citations 7

Authors

Jing-Zi Zhang

Xiang-Yao Peng

Shan Liu

Bang-Ping Jiang

Shi-Chen Ji

Xing-Can Shen

Affiliations

Soon will be listed here.

Abstract

While applying computer simulations to study semiflexible polymers, it is a primary task to determine the persistence length that characterizes the chain stiffness. One frequently asked question concerns the relationship between persistence length and the bending constant of applied bending potential. In this paper, theoretical persistence lengths of polymers with two different bending potentials were analyzed and examined by using lattice Monte Carlo simulations. We found that the persistence length was consistent with theoretical predictions only in bond fluctuation model with cosine squared angle potential. The reason for this is that the theoretical persistence length is calculated according to a continuous bond angle, which is discrete in lattice simulations. In lattice simulations, the theoretical persistence length is larger than that in continuous simulations.

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