Periodic DFT study of the donor interactions with the MgCl2surface in the Ziegler–Natta catalytic system-Reference-Cited by-同舟云学术

Periodic DFT study of the donor interactions with the MgCl2surface in the Ziegler–Natta catalytic system

Published:2016 Issue:16 Volume:6 Page:13137-13144
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Xie Kefeng¹²³⁴⁵,Zhu Bochao⁵⁶³⁴,Xu Renwei⁵⁶³⁴,Xu Jingcheng⁷⁸⁹⁴,Liu Peng¹²³⁴

Affiliation:

1. College of Chemistry and Chemical Engineering

2. Lanzhou University

3. Lanzhou

4. China

5. Lanzhou Petrochemical Research Center

6. Petrochina

7. School of Materials Science and Engineering

8. University of Shanghai for Science and Technology

9. Shanghai

Abstract

Using periodic DFT, the present study evaluated the interactions of donors with MgCl₂surfaces. The selected donors included 1,3-dimethoxy-2,2-dimethylpropane, dimethoxydimethylsilane, and dimethyl phthalate.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C5RA25362D

Reference33 articles.

1. The Role of External Alkoxysilane Donors on Stereoselectivity and Molecular Weight in MgCl2-Supported Ziegler–Natta Propylene Polymerization: A Density Functional Theory Study

2. Microstructure Distribution of Polypropylenes Obtained in the Presence of Traditional Phthalate/Silane and Novel Diether Donors: A Tool for Understanding the Role of Electron Donors in MgCl2-Supported Ziegler−Natta Catalysts

3. Propene/Ethene-[1-13C] Copolymerization as a Tool for Investigating Catalyst Regioselectivity. MgCl2/Internal Donor/TiCl4−External Donor/AlR3 Systems

4. Stereospecific Nature of Active Sites on TiCl4/MgCl2 Ziegler–Natta Catalyst in the Presence of an Internal Electron Donor

5. Variation in the Isospecific Active Sites of Internal Donor-Free MgCl2-Supported Ziegler Catalysts: Effect of External Electron Donors

Cited by 12 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Orbital-scale understanding of the surface effect of the MgCl2 in the Ziegler–Natta catalyst for ethylene polymerization: A computational study;Chemical Engineering Science;2024-08

2. A DFT study on the role of alkoxysilanes in the polymerization of isoprene over Ziegler-Natta catalyst;Computational and Theoretical Chemistry;2024-07

3. Investigation of water adsorption characteristics of MgCl2 salt hydrates for thermal energy storage: Roles of hydrogen bond networks and hydration degrees;Journal of Energy Storage;2024-03

4. The role of organoaluminum and electron donors in propene insertion on the Ziegler–Natta catalyst;Dalton Transactions;2024

5. A Dft Study on the Role of Alkoxysilanes in the Polymerization of Isoprene Over Ziegler-Natta Catalyst;2024