A Theoretical Outlook on the Stereoselectivity Origins of Isoselective Zirconocene Propylene Polymerization Catalysts
نویسندگان
چکیده
منابع مشابه
Testing DFT ability to predict the stereoselectivity of group 4 metallocenes in propylene polymerization
In this study we have tested the ability of a standard DFT computational protocol to reproduce the experimentally obtained stereoselectivity of 26 different C2-symmetric zirconocene catalysts active in propylene polymerization. The catalysts were chosen for their relevance in metallocene catalyzed polymerization of propylene. To this end, primary insertion of both si- and re-propylene enantiofa...
متن کاملEffect of the synthesis conditions of titanium-magnesium catalysts on the composition, structure and performance in propylene polymerization
Supported catalysts synthesized via the interaction of Mg(OEt)2 with TiCl4 in the presence or absence of an internal stereoregulating donor (di-n-butyl phthalate), with different solvents (chlorobenzene, n-undecane, n-heptane) at different titanation temperatures have been studied by a set of physicochemical methods. Data on the chemical composition, X-ray structure and pore structure of these ...
متن کاملZiegler-Natta catalysts for propylene polymerization – Interaction of an external donor with the catalyst
The interaction of the external donor (propyltrimethoxysilane - PTMS) with titanium-magnesium catalysts (TMCs) containing dibutylphthalate (DBP) as internal donor, which were prepared in different ways, was studied by chemical analysis and infrared diffuse reflectance spectroscopy (DRIFTS). The chemical composition of the catalysts after their interaction with heptane solutions of PTMS, PTMS/Al...
متن کاملPolymerization of propylene in a minireactor: Effect of polymerization conditions on particle morphology
Gas phase polymerization of propylene was carried out in a semi-batch minireactor using a commercially supported Ziegler–Natta (ZN) catalyst. The influence of variables including monomer partial pressure, external electron donor, reaction temperature and time on the particle morphology and size distribution was investigated. Generally, more uniform fragmentation and particle densities were obta...
متن کاملMorphology control of clay-mineral particles as supports for metallocene catalysts in propylene polymerization
Spray dry granulation of clay minerals was studied to obtain clay mineral base support material for metallocene supported olefin polymerization catalysts. The morphology of the granules was strongly influenced by the nature of the clay mineral itself. Because of swelling characteristics of montmorillonite, its water dispersion was highly viscous even in the low slurry concentration (< 4 wt %). ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Chemistry - A European Journal
سال: 2018
ISSN: 0947-6539
DOI: 10.1002/chem.201801438