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

摘要

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. [References: 31]