By using quantum chemistry methods, we modelize the polymerization reactions of polyethylene and polypropylene with Ziegler-Natta catalysts. We are interested in the insertion reaction of the monomern the hydrogen transfer, the activation of the active site by co-catalysts and selectivity / regio selectrivity effects.
|Effective start/end date||1/09/94 → 31/08/98|
- reaction energies
- transition state
- Ziegler-Natta Catalysis