Relaxation of a single polymer chain trapped in an array of obstacles in two dimensions

Katsumi Hagita, Daisuke Ishizuka, Hiroshi Takano

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Relaxation of a single polymer chain trapped in a periodic array of obstacles in two dimensions is studied by Monte Carlo simulations of the bond fluctuation model, where only the excluded volume interaction is taken into account. Relaxation modes and rates of the polymer chain are estimated by solving a generalized eigenvalue problem for the equilibrium time correlation matrices of the coarse-grained relative positions of segments of the polymer chain. The slowest relaxation rate λ1 of the polymer chain of N segments behaves as λ1 ∝ N-3.1. The pth slowest relaxation rate λp with p ≥ 2 shows the p-dependence λp ∝ p2.1 and the N-dependence consistent with λp ∝ N-3.1 for small values of p/N. For each N, the slowest relaxation rate λ1 is remarkably smaller than the value extrapolated from the behavior λp ∝ p2.1 for p ≥ 2. The behaviors of slow relaxation modes are similar to those of the Rouse modes. These behaviors of the relaxation rates and modes correspond to those of the slithering snake model with the excluded volume interaction.

Original languageEnglish
Pages (from-to)2897-2902
Number of pages6
JournalJournal of the Physical Society of Japan
Volume70
Issue number10
DOIs
Publication statusPublished - 2001 Oct

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polymers
snakes
eigenvalues
interactions
simulation

Keywords

  • Bond fluctuation model
  • Excluded volume interaction
  • Monte Carlo simulations
  • Obstacles
  • Relaxation modes
  • Relaxation rates
  • Reptation
  • Single polymer chain
  • Slithering snake model

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Relaxation of a single polymer chain trapped in an array of obstacles in two dimensions. / Hagita, Katsumi; Ishizuka, Daisuke; Takano, Hiroshi.

In: Journal of the Physical Society of Japan, Vol. 70, No. 10, 10.2001, p. 2897-2902.

Research output: Contribution to journalArticle

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