Structure of solid poly(tetrafluoroethylene): a computer simulation study of chain orientational, translational, and conformational disorder
The nature of the orientational, translational, and conformational disorder exhibited by poly(tetrafluoroethylene) has been characterized with the help of mol. dynamics calcns. based on a new all-atom interaction potential function developed specifically for the perfluoroalkanes. The simulation has identified the following sequence of phenomena, which arise on heating the low-temp. cryst. phase: helical unwinding of chain segments, longitudinal jump diffusion of chains-without gauche defects-followed by generation of gauche defects. These observations accord well with exptl. data. [on SciFinder (R)]
Cite this item
Sprik, M., Roethlisberger, U., & Klein, M. L. (1997). Structure of solid poly(tetrafluoroethylene): a computer simulation study of chain orientational, translational, and conformational disorder. The Journal of Physical Chemistry B, 101(15), 2745–2749. https://doi.org/10.1021/jp963333k
Click Copy to copy the citation, or select the text manually.
1997
101
15
2745
2749
REVIEWED
EPFL