Roles of Salicylate Donors in Enhancement of Productivity and Isotacticity of Ziegler-Natta Catalyzed Propylene Polymerization.

ABSTRACT: Roles of internal salicylate donors (SID) in enhancing activity and stereoselectivity of Ziegler-Natta catalyzed propylene (PP) polymerization were examined using DFT calculations. Five salicylate donors were studied. The chelate mode is the preferred adsorption mode. The linear relationship (R2 = 0.96) between calculated adsorption energies (Eads) of five SIDs and the experimental PP activities was observed. Thus, the SID with the strongest adsorption energy will provide the highest activity in agreement with our previous studies. Compared with diisobutyl phthalate (DIBP), which is the industrial electron donor, SID has stronger Eads. The insertion step, which involves the π-complex formation (∆Eπ and the insertion activation or intrinsic activation energy (Ea) for PP polymerization was a

SUBMITTER: Ratanasak M 

PROVIDER: S-EPMC7240445 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature