Relaxation and self-diffusion of a polymer chain in a melt

Katsumi Hagita, Hiroshi Takano

研究成果: Conference contribution

抄録

Relaxation and self-diffusion of a polymer chain in a melt are discussed on the basis of the results of our recent Monte Carlo simulations of the bond fluctuation model, where only the excluded volume interaction is considered. Polymer chains are located on an L × L × L simple cubic lattice under periodic boundary conditions. Each chain consists of N segments, each of which occupies 2×2×2 unit cells. The results for N = 32,48,64,96,128,192,256,384 and 512 at the volume fraction φ ≈ 0.5 are examined, where L- 128 for N ≤ 256 and L= 192 for N ≥ 384. The longest relaxation time τ is estimated by solving generalized eigenvalue problems for the equilibrium time correlation matrices of the positions of segments of a polymer chain. The self-diffusion constant D is estimated from the mean square displacements of the center of mass of a single polymer chain at the times larger than τ. From the data for N = 256, 384 and 512, the apparent exponents x r and xd, which describe the power law dependences of τ and D on N as τ ∝ Nxr and D ∝ Nxd, are estimated to be xr ≈ 3.5 and xd ≈ 2.4, respectively. For N = 192,256, 384 and 512, Dτ/〈Re 2〉 appears to be a constant, where 〈Re 2〉 denotes the mean square end-to-end distance of a polymer chain.

本文言語English
ホスト出版物のタイトルSlow Dynamics in Complex Systems
ホスト出版物のサブタイトル3rd International Symposium on Slow Dynamics in Complex Systems
出版社American Institute of Physics Inc.
ページ279-280
ページ数2
708
ISBN(電子版)0735401837
DOI
出版ステータスPublished - 2004 4 30
イベント3rd International Symposium on Slow Dynamics in Complex Systems - Sendai, Japan
継続期間: 2003 11 32003 11 8

Other

Other3rd International Symposium on Slow Dynamics in Complex Systems
CountryJapan
CitySendai
Period03/11/303/11/8

ASJC Scopus subject areas

  • Physics and Astronomy(all)

フィンガープリント 「Relaxation and self-diffusion of a polymer chain in a melt」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル