Cyclization of a polymer with charged reactive end groups

Citation
J. Stampe et Im. Sokolov, Cyclization of a polymer with charged reactive end groups, J CHEM PHYS, 114(11), 2001, pp. 5043-5048
Citations number
34
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
11
Year of publication
2001
Pages
5043 - 5048
Database
ISI
SICI code
0021-9606(20010315)114:11<5043:COAPWC>2.0.ZU;2-C
Abstract
We calculate the cyclization rate k(t) of a single polymer chain with charg ed end groups, where cyclization takes place with probability of one when t he ends approach each other at a distance smaller than the reaction radius R. Using Monte Carlo simulations in a kink-jump model we show that the long -time asymptotic value of k for longer chains and attractive Coulomb intera ction does not depend on R, but depends strongly on the Onsager radius, whi ch characterizes the strength of electrostatic interaction. This result rel ies only on the large-scale behavior of the chain and is reproduced within a simple harmonic-spring approximation. The harmonic-spring model leads to a diffusion equation which is solved numerically. The solution for long cha ins is confirmed with analytical approximations. (C) 2001 American Institut e of Physics.