Wittkop, Markus and Kreitmeier, Stefan and Göritz, Dietmar (1996) Computer simulations of energetic and entropic changes of a single polymer chain under extension. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 92 (8). pp. 1375-1380. ISSN 0956-5000
Full text not available from this repository.Abstract
The changes in energy and entropy during the deformation of a single three-dimensional polymer chain above and below the Theta-temperature have been studied using the bond-fluctuation model. Above the Theta-temperature the deformation is controlled by the entropy. In contrast to that far below the Theta-temperature the energy is the dominating part of the deformation pattern. The deformation is represented by a coil-strand coexistence and is therefore inhomogeneous. During the coil-strand coexistence the total force, as well as its energetic and entropic parts, is independent of the extension. At large strains or higher temperatures the coil-strand system becomes unstable and the energy looses its dominance. During the disintegration of the coil-strand system the energetic part of the force exceeds the total force by a large extent and the entropic part of the force reaches pronounced negative values.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | BOND FLUCTUATION METHOD; MONTE-CARLO; MOLECULES; COIL; TRANSITIONS; COLLAPSE; DYNAMICS; MODELS; FORCES; FLOW |
| 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 05:50 |
| Last Modified: | 02 Nov 2023 05:50 |
| URI: | https://pred.uni-regensburg.de/id/eprint/51771 |
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