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Exploring microstructure of MgCl2•nEtOH adducts for Ziegler-Natta catalysts
被引:5
|作者:
Bazvand, Reza
[1
]
Bahri-Laleh, Naeimeh
[1
]
Abedini, Hossein
[1
]
Nekoomanesh, Mehdi
[1
]
Poater, Albert
[2
]
机构:
[1] Iran Polymer & Petrochem Inst IPPI, POB 14965-115, Tehran, Iran
[2] Univ Girona, Inst Quim Computac & Catalisi, Dept Quim, C Ma Aurelia Capmany 69, Girona 17003, Spain
基金:
美国国家科学基金会;
关键词:
Ziegler-natta catalyst;
Polyolefins;
Alcohol amount;
INORGANIC MGCL2-ALCOHOL ADDUCT;
MAGNESIUM-CHLORIDE;
BASIS-SETS;
POLYMERIZATION;
POLYPROPYLENE;
ETHYLENE;
ETHANOL;
MGCL2;
ACID;
TI;
D O I:
10.1016/j.molstruc.2023.136098
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
The activation of MgCl2 through the formation of MgCl2 & BULL;nEtOH adducts is considered the principal step for the preparation of high performance Ziegler-Natta catalysts for olefins polymerizations in industry. Despite this importance, due to the complicated microstructure of the adducts, the precise structural characterization of these compounds has been left behind. In this research, four MgCl2.nEtOH adducts (with n = 0.6, 1.0, 1.8, and 3.2) were prepared by melt quenching procedure and assessed thoroughly by different techniques. Despite the multiple peaks in TGA analysis, similar FTIR spectra were recorded, and the adducts with n = 3.2 revealed sticky nature in SEM pictures which enhanced their particle size and broadened SPAN. According to the XRD spectra, the adducts showed distinct peaks related to the lateral cuts of distorted MgCl2, in which the ratio of & alpha;-MgCl2 to 13-MgCl2 form enhanced by increasing the EtOH content, that was further confirmed by DFT calculations, even though it must be accepted that it is only a minimalist exercise in terms of a clear characterization of the adducts.
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页数:10
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