Diffusion limited first contact of the ends of a polymer: Comparison of theory with simulation

被引：138

作者：

Pastor, RW ^{[1
]}

Zwanzig, R ^{[1
]}

Szabo, A ^{[1
]}

机构：

[1] NIDDKD,CHEM PHYS LAB,NIH,BETHESDA,MD 20892

来源：

JOURNAL OF CHEMICAL PHYSICS | 1996年 / 105卷 / 09期

关键词：

D O I：

10.1063/1.472208

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The mean first passage time for the close approach of the ends of a polymer is investigated by computer simulation of the Brownian dynamics of a Rouse model. There are N bonds, of length b, and the contact distance is a. The results for N=50, 75, and 100 are compared with theoretical predictions by Wilemski and Fixman (WF), and by Szabo, Schulten, and Schulten (SSS). Theory differs from simulation by a factor of 1.3 to 3 when a is comparable to b but improves considerably when a is reduced. Closest agreement is obtained at a/b = 0.1 for WF with a delta function sink, where theory is within the statistical error (approximate to 5%) of the simulation for each case.

引用

页码：3878 / 3882

页数：5