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Polynorbornene in the condensed state: Simulations on chain conformations and dynamics

✍ Scribed by Stefan A. Krügel; Florian Raubacher; Joachim H. Wendorff

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
427 KB
Volume
199
Category
Article
ISSN
1022-1352

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✦ Synopsis

Polynorbomene is characterized by the presence of large rotational barriers separating different rotational isomeric states. We have investigated the effect of these rotational constraints on conformational and dynamical properties in the condensed state using force field simulations. The chain is found to be a rigid coil with dimensions similar to the case of the isolated chains and the fluctuations of the chain dimensions are reduced compared to those found for isolated chains. An interesting result is that calculations based on an amorphous cell predict the occurrence of a glass transition temperature -in agreement with experimental results -at a temperature where the chain molecules are still rigid.

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