Application of the global search algorithm to analyze the kinetic mechanism of the thermal decomposition of flexible polyurethane foam

IF 2.1 4区 化学 Q3 CHEMISTRY, PHYSICAL Progress in Reaction Kinetics and Mechanism Pub Date : 2021-01-01 DOI:10.1177/1468678320982185
Yangui Chen, Hongzhou He, Zhongqing Liu
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引用次数: 5

Abstract

Accurate thermal decomposition mechanism and kinetic parameters are helpful to analyze the combustion process of flexible polyurethane foam. The thermal decomposition process of flexible polyurethane foam products (amine derivatives) was ignored in the past. Three thermal decomposition mechanisms of flexible polyurethane foam were proposed according to the thermogravimetry experiment of flexible polyurethane foam in the nitrogen atmosphere, two of which included the thermal decomposition of amine derivatives. The global search algorithm was proposed to estimate the kinetic parameters of the thermal decomposition of solid material. The results show that the global search algorithm is efficient and accurate in estimating kinetic parameters. The results also show the thermal decomposition mechanism including the carbodiimide and polycarbondiimide can well describe the thermal decomposition process of flexible polyurethane foam and amine derivatives. The activation energy, pre-exponential factor, and reaction order of flexible polyurethane foam are 187.3 kJ mol−1, 1015.6 s−1, and 1.22, respectively.
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应用全局搜索算法分析柔性聚氨酯泡沫塑料热分解的动力学机理
准确的热分解机理和动力学参数有助于分析柔性聚氨酯泡沫的燃烧过程。柔性聚氨酯泡沫制品(胺类衍生物)的热分解过程在过去被忽视。通过对含氮气氛下柔性聚氨酯泡沫的热重实验,提出了柔性聚氨酯泡沫的三种热分解机理,其中两种热分解机理包括胺类衍生物的热分解。提出了一种全局搜索算法来估计固体材料热分解动力学参数。结果表明,全局搜索算法在估计动力学参数方面是有效和准确的。结果还表明,包括碳二亚胺和聚碳酸酯二亚胺在内的热分解机理可以很好地描述柔性聚氨酯泡沫及其胺衍生物的热分解过程。柔性聚氨酯泡沫的活化能为187.3 kJ mol−1,指前因子为1015.6 s−1,反应级数为1.22。
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来源期刊
CiteScore
2.10
自引率
0.00%
发文量
5
审稿时长
2.3 months
期刊介绍: The journal covers the fields of kinetics and mechanisms of chemical processes in the gas phase and solution of both simple and complex systems.
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