Monte Carlo simulations of the dynamics of single polymer chains above and below the Theta-temperature

Wittkop, Markus and Kreitmeier, Stefan and Göritz, Dietmar (1996) Monte Carlo simulations of the dynamics of single polymer chains above and below the Theta-temperature. COMPUTATIONAL & THEORETICAL POLYMER SCIENCE, 6 (1-2). pp. 41-47. ISSN 1052-0643

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Abstract

The dynamic properties of a single polymer chain in two and three dimensions at different temperatures was studied using the bond-fluctuation model. Above T-Theta they are in agreement with the Rouse model, but below T-Theta differences occur: the center of mass diffusion becomes anomalous, the relaxation times tau(i) rise with the chain length N by a power law of the form tau(i)(N) similar to N-2+3/d (d being the dimension of space) and the diffusion coefficient D-N behaves as D-N similar to N--(2+3/d). The anomalous diffusion of the center of mass can be described by t(b) with b = (2+d)/(3+2d) (t being the time).

Item Type: Article
Uncontrolled Keywords: TO-COIL TRANSITION; SELF-AVOIDING WALKS; BOND FLUCTUATION METHOD; 2 DIMENSIONS; COLLAPSE TRANSITION; QUANTITATIVE THEORY; RENORMALIZATION-GROUP; COMPUTER-SIMULATION; CONSISTENT APPROACH; GLOBULE TRANSITION; Monte Carlo simulation; single polymer chain; dynamic properties; temperature dependence
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Experimental and Applied Physics > Alumni or Retired Professors > Group Dietmar Göritz
Depositing User: Dr. Gernot Deinzer
Date Deposited: 02 Nov 2023 09:52
Last Modified: 02 Nov 2023 09:52
URI: https://pred.uni-regensburg.de/id/eprint/51885

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