Heterogeneous Ziegler-Natta and homogeneous metallocene catalysts exhibit greatly different active sitenature in olefin polymerization. In our previous study, it was reported that MgCl2-supported titanocenecatalysts can generate both Ziegler-Natta-type and metallocene-type active sites according to the type of activators.The dual active site nature of the supported titanocene catalysts was furt...

We review part of our recent ab initio molecular dynamics study on the Ti-based Ziegler-Natta supported heterogeneous catalysis of α-olefins. The results for the insertion of ethylene in the metal-carbon bond are discussed as a fundamental textbook example of polymerization processes. Comparison with the few experimental data available has shown that simulation can reproduce activation barriers...

heterogeneous ziegler-natta and homogeneous metallocene catalysts exhibit greatly different active sitenature in olefin polymerization. in our previous study, it was reported that mgcl2-supported titanocenecatalysts can generate both ziegler-natta-type and metallocene-type active sites according to the type of activators.the dual active site nature of the supported titanocene catalysts was furt...

a fourth-generation ziegler-natta catalyst was prepared to synthesize polypropylene (pp), which was stabilized by in situ polymerization employing lignin as antioxidant. the antioxidant properties of lignin were compared with those of the commercial antioxidant irganox 1010. the presence of lignin in the reaction medium slightly decreased the catalytic activity of the reaction. the isotacticity...

Ziegler-Natta catalysis is a very important industrial process for the production of polyolefins. However, the catalysts are not well-understood at the molecular level. Yet, atomic-scale structural information is of pivotal importance for rational catalyst development. We applied a solid-state NMR/density functional theory tandem approach to gain detailed insight into the interactions between t...

Ziegler-Natta (ZN) based co-polymerization processes for the production of linear low-density polyethylene (LLDPE) generally give rise to a non-uniform incorporation distribution comonomer. It has been shown that lowering titanation temperature during catalyst synthesis can increase evenness this distribution. However, polymerization process parameters also affect resulting To investigate these...