Model-free isothermal and nonisothermal predictions using advanced isoconversional methods

被引:44
|
作者
Sbirrazzuoli, Nicolas [1 ]
机构
[1] Univ Cote dAzur, Inst Chim Nice, UMR CNRS 7272, F-06100 Nice, France
关键词
Model-free kinetics; Isoconversional kinetic analysis; Isothermal and nonisothermal predictions; Shelf-life assessment; Lifetime predictions; KINETICS-BASED SIMULATION; THERMAL-DECOMPOSITION; REACTION-MECHANISM; SADT; DSC; HAZARD; TIME; DRY;
D O I
10.1016/j.tca.2020.178855
中图分类号
O414.1 [热力学];
学科分类号
摘要
Four complex mechanisms of two parallel independent reactions were simulated under various isothermal and nonisothermal conditions. Equations to perform isothermal predictions and nonisothermal simulations at a different temperature program are presented, based on the isoconversional methods of Vyazovkin and Friedman. Isoconversional kinetic parameters were used to simulate the reaction progress under different isothermal and nonisothermal conditions. It was shown that accurate simulations can be performed in a model-free way, i.e. without knowledge of the reaction mechanism. A higher accuracy was obtained for mechanism involving more separated individual steps. The methods proposed are applicable to both DSC and TG data.
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页数:8
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