Persistence length of a polyelectrolyte in salty water: Monte Carlo study

被引:43
作者
Nguyen, TT [1 ]
Shklovskii, BI [1 ]
机构
[1] Univ Minnesota, Inst Theoret Phys, Minneapolis, MN 55455 USA
来源
PHYSICAL REVIEW E | 2002年 / 66卷 / 02期
基金
美国国家科学基金会;
关键词
Algorithms - Electrostatics - Hamiltonians - Ions - Monomers - Monte Carlo methods - Permittivity - Salts;
D O I
10.1103/PhysRevE.66.021801
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We address the long standing problem of the dependence of the electrostatic persistence length l(e) of a flexible polyelectrolyte (PE) on the screening length r(s) of the solution within the linear Debye-Huckel theory. The standard Odijk, Skolnick, and Fixman (OSF) theory suggests l(e)proportional tor(s)(2), while some variational theories and some computer simulations suggest l(e)proportional tor(s). In this paper, we use Monte Carlo simulations to study the conformation of a simple polyelectrolyte. Using four times longer PEs than in previous simulations and refined methods for the treatment of the simulation data, we show that the results are consistent with the OSF dependence l(e)proportional tor(s)(2). The linear charge density of the PE, which enters in the coefficient of this dependence is properly renormalized to take into account local fluctuations.
引用
收藏
页码:1 / 021801
页数:7
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