Yk. Tovbin et An. Ozerin, THE KINEMATICS OF A SEGMENT OF POLYACRYLO NITRILE MACROMOLECULE IN UNIAXIALLY ORIENTED MATERIAL, Vysokomolekularnye soedinenia. Seria A, 37(1), 1995, pp. 108-112
Mathematical modeling of the spectrum of possible positions of the bac
kbone atoms is oriented molecules of iso- and syndiotactic polyacrylon
itrile was performed for varied positions of moving segment of macromo
lecule. The structural unit for modeling was a segment including eight
atoms of the backbone with the end atoms fixed. The segment has one d
egree of freedom. The spectrum of segmental kinematic state is calcula
ted by solving the non-linear equation set that describes the coordina
tes of atoms of the moving segment of molecular backbone. It is discov
ered that only syndiotactic PAN can form the local spatial configurati
on that is a precursor for intramolecular six-member cycle being forme
d during thermal treatment of PAN.