MATHEMATICAL-MODELING OF THE CONFORMATION AL PROPERTIES AND DYNAMICS OF ORIENTED POLYMER-CHAINS

Conformational microstructure and mobility of a model polymer chain wi th rigid bonds, fixed bond angles, and retarded internal rotation in t he orienting quadrupole field was studied by method of brownian dynami cs, The internal rotation was described by a potential function having three equal minima. The conformational microstructure of the model ch ain was also calculated for a tetrahedral lattice with three equiproba ble rotational isomers (t, g(+), g(-)) in the field. It was found that dependences of the content of various conformers on the degree of ord er a were close for the two models. The slowest decay of the conformer concentration with increasing s was observed in g(+/-)g(-/+)g(+/-) tr iads forming a folded conformation, and in the tgt and g(+/-)tg-(/+) t riads entering into a kink, The average time of rotational-isomer tran sitions remains virtually unchanged when the chain orientation s varie s from 0 to 0.5, All the transition fall into two groups: fast, auto-c orrelated and slower, non-correlated. The latter group is further subd ivided into two subgroups differing by the character of variation with growing s.