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Model identification and classification of autocatalytic decomposition kinetics

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Abstract

Decomposition of most hazardous chemicals is accompanied by autocatalytic characteristics. Strength of autocatalytic decomposition sheds light on the development of risk control measures and identification of the most dangerous scenes in emergency venting systems. In this paper, autocatalytic factor Z(T) which was deduced based on the Perez–Benito model can be considered as the characterization of autocatalysis. And the value of autocatalytic factor can be calculated by the formula Z(T) = (k1/k2)exp [− (E1 − E2)/RT] under known kinetics. By deriving the relationship between autocatalytic factor and intersection conversion of different heating rate curves, the calculation value of autocatalytic factor can be simplified by formula Z(T*) = 1 − (αβi + αβni) under unknown kinetics. Through the numerical simulation under different kinetic parameters, autocatalytic strength can be divided into five intervals based on the value of Z(T). Reliability of the method was verified by application and comparison of five substances with the known autocatalytic strength.

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Acknowledgments

This work has been financially supported by Natural Science Foundation of Jiangsu Province, China (No: BK20200495).

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Authors and Affiliations

  1. Department of Safety Engineering School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, Jiangsu, China

    Wenqian Wu, Xiaoqiao Zhao, Liping Chen, Zichao Guo & Wanghua Chen

  2. Zhejiang Longsheng Group Co., Ltd, Shaoxing, 312368, Zhejiang, China

    Fuqing Meng

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  1. Wenqian Wu
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  2. Xiaoqiao Zhao
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  4. Liping Chen
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Correspondence to Liping Chen.

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Wu, W., Zhao, X., Meng, F. et al. Model identification and classification of autocatalytic decomposition kinetics. J Therm Anal Calorim 148, 5455–5470 (2023). https://doi.org/10.1007/s10973-023-12072-w

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  • DOI: https://doi.org/10.1007/s10973-023-12072-w

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