Study of the conformational structure of macromolecules under stretching. Results of the computer simulation and of IR spectroscopy

Abstract

The stretching of PE chains has been investigated by the Monte-Carlo method and by infrared spectroscopy. In the simulation account is taken of the chemical structure of the chain, and of the retardation and paired interdependence of internal rotations, along with the volume interactions. Change in the conformational composition and in the orientation of chain elements towards the stretching axis has been investigated. A comparison of the calculated and the experimental data shows that when the draw ratio is not very high (λ≲3-4) there is a satisfactory degree of agreement between change in the content of various conformers and their orientation. Reasons for the discrepancies observed for large λ values are discussed. © 1984.