Ya. Kurskii, COMPUTER-SIMULATION OF THE EFFECT OF STER EOISOMERISM ON THE THERMAL-DEGRADATION OF POLY(VINYL CHLORIDE), Vysokomolekularnye soedinenia. Seria A, 39(4), 1997, pp. 685-689
Initial stages of the thermal degradation poly(vinyl chloride) were mo
deled by the Monte-Carlo method. The effect of the polymer unit chain
conformation on the cis-trans isomerism of an olefin formed by thermal
elimination of HCl and on the length of kinetic degradation chain was
considered, In the evaluation of the scale of influence of stereochem
istry on the thermal degradation of PVC, the values of rate constants
for the thermal degradation of meso-dyads were taken 10 to 100 times l
arger than the corresponding rate constants for racemic dyads. The max
imum calculated effect does not exceed 30%, whereas the stationary deg
radation rates of real PVC samples differ at least 2 to 3 times, which
is probably explained by the effect of structural defects on the degr
adation rate.