Modeling of the interactions between the catalytic sites, the monomer, the co-catalyst and ligands in heterogeneous Ziegler-Natta catalysis of polyethylene and polypropylene polymerization

Project: Research

Description

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.
StatusFinished
Effective start/end date1/09/9431/08/98

Keywords

  • reaction energies
  • co-catalysts
  • ligands
  • olefins
  • transition state
  • polypropylene
  • polymers
  • Ziegler-Natta Catalysis