Use and misuse of logistic equations for modeling chemical kinetics

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• 作者：Alan K. Burnham
• 关键词：Kinetic analysis ; Thermal analysis ; Logistic function ; Generalized logistic equation ; Prout–Tomkins model ; Autocatalytic reactions
• 刊名：Journal of Thermal Analysis and Calorimetry
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：127
• 期：1
• 页码：1107-1116
• 全文大小：
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Physical Chemistry; Analytical Chemistry; Polymer Sciences; Inorganic Chemistry; Measurement Science and Instrumentation;
• 出版者：Springer Netherlands
• ISSN：1588-2926
• 卷排序：127

文摘

A generalized logistic function has been proposed as a kinetic analysis method that is superior to traditional methods. In fact, the parameter τ in the generalized logistic function has an effect on the reaction profile similar to the parameter n in the extended Prout–Tompkins model for autocatalytic reactions. Furthermore, the comparisons made in some papers to traditional methods were made by using the discredited method of determining kinetic parameters from a single heating rate, so they are misleading compared to proper kinetic analysis methods that simultaneously analyze multiple thermal histories. In addition, the current implementation of the generalized logistic function of fitting each experiment individually is prone to introduce errors in the kinetic parameters. Guidance is given on how the generalized logistic function might be used for proper chemical kinetic analysis.