Open AccessThe helix transition of semirigid polymer chains confined in cylinders
Author(s) -
Tong Huan-Ping,
Linxi Zhang
Publication year - 2012
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.61.058701
Subject(s) - cylinder , materials science , monte carlo method , chain (unit) , polymer , confined space , bending , helix (gastropod) , lattice (music) , radius , bend radius , composite material , physics , chemistry , geometry , astronomy , snail , ecology , statistics , mathematics , organic chemistry , computer security , computer science , acoustics , biology
In this paper we use an off-lattice bead-spring model to study the behaviors of polymer chain confined in an infinite cylinder by Monte Carlo simulations. Our simulation results show that when the bending energy b increases in the presence of the adsorption energy of the inner-surface of cylinder, the polymer chain is first randomly attracted on the inner surface of cylinder, and then gradually takes on helix structure, and finally is stretched into the rod-like structure. In order to understand the process of structure transition of polymer chain, we calculate the average of number of helical turns per chain Nt, the average percentage Ph of beads of helical structure per chain and the energy fluctuations with different values of bending energy b. The confined semirigid chain can form helical structure with the appropriate bending energy and the proper radius of cylinder. This study can help us understand the conformational behaviors of biopolymers in confined space.