Relaxation of a polymer chain confined in a tube

Katsumi Hagita, Hiroshi Takano

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

Relaxation modes and rates of a single polymer chain confined in a straight tube by repulsive walls are studied by Monte Carlo simulations of the bond fluctuation model, where only the excluded volume interaction is taken into account. The relaxation modes and rates are estimated by solving generalized eigenvalue problems for the equilibrium time correlation matrices Ci,j(t) = 〈(zi(t) - zc(t))(zj(0) - zc(0))〈c and Ci.j(t) = 1/2〈ri(t)·r j(0)〉c, where zi and ri are the components of the position vector of the ith segment parallel and perpendicular to the tube axis, respectively, and zc is the parallel component of the center of mass of the polymer chain. For the parallel component, the behavior of the pth slowest relaxation rate λp of a polymer chain of N segments agrees with the scaling prediction λp ≃ λb(gp/N)2 for gp/N ≪ 1, where Ab and g are the slowest relaxation rate within each blob and the number of segments per blob, respectively. The corresponding relaxation modes show the Rouse-like behavior. For the perpendicular components, the behavior of the pth slowest relaxation rate λp is consistent with the scaling prediction λp ≃ Ab for gp/N < 1. The behavior of the corresponding relaxation modes is consistent with the blob picture.

Original languageEnglish
Pages (from-to)401-407
Number of pages7
JournalJournal of the Physical Society of Japan
Volume68
Issue number2
DOIs
Publication statusPublished - 1999 Feb

Keywords

  • Bond fluctuation model
  • Monte Carlo simulations
  • Relaxation modes
  • Relaxation rates
  • Scaling analysis
  • Single polymer chain
  • Tube

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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