沸石咪唑盐骨架
热重分析
热解
燃烧
材料科学
分解
热力学
热分析
活化能
热分解
金属有机骨架
化学工程
热的
物理化学
化学
有机化学
吸附
工程类
物理
作者
Moustafa Ahmed,Yas Al‒Hadeethi,Ahmed Alshahrie,Arwa T. Kutbee,E.R. Shaaban,Ahmed F. Al‐Hossainy
出处
期刊:Polymers
[MDPI AG]
日期:2021-11-22
卷期号:13 (22): 4051-4051
被引量:25
标识
DOI:10.3390/polym13224051
摘要
Zeolitic imidazolate frameworks (ZIFs) are interesting materials for use in several aspects: energy storage material, gas sensing, and photocatalysis. The thermal stability and pyrolysis process are crucial in determining the active phase of the material. A deep understanding of the pyrolysis mechanism is in demand. Therefore, the thermodynamics and combustion process with different heating rates was examined, and the kinetic parameters were computed employing thermogravimetric tests. Based on the TG analysis of combustion, pyrolysis moves to the high-temperature region with an increase in heating rate. The decomposition process can be separated into the dehydration (300–503 K) and the pyrolysis reaction (703–1100 K). Three points of the decomposition process are performed by dynamical analysis owing to shifts of slopes, but the combustion process has only one stage. The Zeolitic imidazolate framework’s structure properties were examined using TDDFT-DFT/DMOl3 simulation techniques. Dynamical parameters, for instance, the possible mechanism, the pre-exponential factor, and the apparent activation energy are obtained through comparison using the Kissinger formula. The thermodynamics analysis of the Zn1-xCox-ZIF-8 materials is an effective way to explore the temperature influence on the process of pyrolysis, which can benefit several environment purifications, photocatalyst, and recent applications.
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