Computer simulations on the cyclic deformation of a single polymer chain above and below the Theta temperature

Kreitmeier, Stefan and Wittkop, Markus and Goeritz, Dietmar (1999) Computer simulations on the cyclic deformation of a single polymer chain above and below the Theta temperature. PHYSICAL REVIEW E, 59 (2). pp. 1982-1988. ISSN 1063-651X,

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Abstract

The cyclic deformation behavior of a single three-dimensional polymer chain above and below the Theta temperature was studied using the bond-fluctuation model. Whereas above T-Theta the entropy controls the deformation, below T-Theta a completely changed behavior was found. Due to the dominating energetic part a globule-strand system is generated. A comparison with a theoretical concept of Halperin and Zhulina is presented. A reasonable description is possible, however, some deviations remain. A discussion on the necessary relaxation time or complimentary the drawing velocity is given. An Arrhenius-type-like dependency was found which considerably lengthens any simulation of cold polymer systems.

Item Type: Article
Uncontrolled Keywords: MONTE-CARLO SIMULATION; FORCE-LENGTH RELATIONS; EXCLUDED-VOLUME; COLLAPSE TRANSITION; 3 DIMENSIONS; EXTENSION; MOLECULES; ELASTICITY; MICROSCOPY; MODELS;
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: 22 Nov 2022 14:01
Last Modified: 22 Nov 2022 14:01
URI: https://pred.uni-regensburg.de/id/eprint/48567

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