Debye Screening Effect on Scaling Behavior of Longest Relaxation Time of Biological Polyelectrolyte Chain

Bulletin of the Korean chemical society

Kyu Yoon¹  Myung-Suk Chun¹  Jung Mun Sung¹  Hyun Wook Jung¹  Jeong Yong Lee¹ 

关键词: Polyelectrolyte;    Mesoscale simulation;    Relaxation time;    Scaling law;    Debye screening;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

The scaling relationship of the longest relaxation time of a single chain of semiflexible biological polyelectrolyte has been investigated by performing well-established coarse-grained Brownian dynamics simulations. Two kinds of longest relaxation times were estimated from time-sequences of chain trajectories, and their behaviors were interpreted by applying the scaling law for different molecular weights of polyelectrolyte and Debye lengths. The scaling exponents for longest stress relaxation and rotational relaxation are found in the ranges of 1.67-1.79 and 1.65-1.81, respectively, depending on the physicochemical interaction of electrostatic Debye screening. The scaling exponent increases with decreasing screening effect, which is a special feature of polyelectrolytes differing from neutral polymers. It revealed that the weak screening allows a polyelectrolyte chain to follow the behavior in good solvent due to the strong electrostatic repulsion between beads.

【 授权许可】

Unknown