Monte Carlo Study of Relaxation Modes of a Single Polymer Chain

Sachiko Koseki, Hidetomo Hirao, Hiroshi Takano

研究成果: Article査読

33 被引用数 (Scopus)


The relaxation modes and rates of a single polymer chain are studied by Monte Carlo simulations of the bond fluctuation model. On the basis of the method proposed by Takano and Miyashita [J. Phys. Soc. Jpn. 64 (1995) 3688], the approximate relaxation modes and rates are obtained by solving a generalized eigenvalue problem for the correlation matrices Ci,j(t) = <Ri(t) · Ri(t)>/3, where Ri(t) denotes the position of the ith segment relative to the center of mass of the polymer chain. For a chain of N segments with the excluded volume interaction, the contribution g̃i,p of the pth slowest mode to Ri shows the i-dependence g̃i,p α cos[(i - 1/2)pπ/N], which is the same as that of the Rouse model. The behavior of the relaxation rate λp of the pth slowest mode is in good agreement with the theoretical prediction λp ∼ (P/N)2v+1, where v ≃ 0.588 is the exponent for the swelling of a polymer chain in good solvent.

ジャーナルJournal of the Physical Society of Japan
出版ステータスPublished - 1997 6月

ASJC Scopus subject areas

  • 物理学および天文学(全般)


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