Ancillary ligand effects on α-olefin polymerization catalyzed by zirconium metallocene: a computational study

Author:

Zhao Yanan1ORCID,Xu Xianming2,Wang Yulong2,Liu Tong2,Li Hongpeng2,Zhang Yongjun2,Wang Libo2,Wang Xiuhui2,Zhao Simeng2,Luo Yi13ORCID

Affiliation:

1. State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian, 116024, China

2. Daqing Petrochemical Research Center of PetroChina, Daqing, 163714, China

3. PetroChina Petrochemical Research Institute, Beijing, 102206, China

Abstract

The polymerization of α-olefins catalyzed by zirconium metallocene catalyst was systematically studied through experiments and density functional theory (DFT) calculations.

Funder

National Natural Science Foundation of China

China Postdoctoral Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Reference72 articles.

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4. Molecular Modeling of Poly-.alpha.-olefin Synthetic Oils

5. R.Leslie and L.Ronald Synthetic Lubricants and High-Performance Functional Fluids[M]. Translated by Li P Q, Guan Z J, Geng Y J. , China Petroleum Industrial Press , Beijing , 2006

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