QUANTUM-CHEMICAL MODELING OF THE MECHANISM OF AUTOCATALYTIC DEHYDROCHLORINATION OF PVC

The thermodynamic parameters were calculated for the dehydrochlorination of low-molecular compounds simulating normal vinyl chloride chains and _-chloroallyl and polyenyl chloride groups. It was established that HCl does not affect the dehydrochlorination of vinyl chloride units with normal structure but catalyzes the elimination from sections of the macromolecules that contain C=C double bonds.