Ramgobin Aditya, Fontaine Gaëlle, Bourbigot Serge
CNRS, INRAE, Centrale Lille, UMR 8207-UMET-Unité Matériaux et Transformations, University Lille, F-59000 Lille, France.
Polymers (Basel). 2020 Jul 16;12(7):1577. doi: 10.3390/polym12071577.
Kinetic decomposition models for the thermal decomposition of a high-performance polymeric material (polyetheretherketone, PEEK) were determined from specific techniques. Experimental data from thermogravimetric analysis (TGA) and previously elucidated decomposition mechanisms were combined with a numerical simulating tool to establish a comprehensive kinetic model for the decomposition of PEEK under three atmospheres: nitrogen, 2% oxygen, and synthetic air. Multistepped kinetic models with subsequent and competitive reactions were established by taking into consideration the different types of reactions that may occur during the thermal decomposition of the material (chain scission, thermo-oxidation, char formation). The decomposition products and decomposition mechanism of PEEK which were established in our previous report allowed for the elucidation of the kinetic decomposition models. A three-stepped kinetic thermal decomposition pathway was a good fit to model the thermal decomposition of PEEK under nitrogen. The kinetic model involved an autocatalytic type of reaction followed by competitive and successive nth order reactions. Such types of models were set up for the evaluation of the kinetics of the thermal decomposition of PEEK under 2% oxygen and in air, leading to models with satisfactory fidelity.
通过特定技术确定了一种高性能聚合物材料（聚醚醚酮，PEEK）热分解的动力学分解模型。热重分析（TGA）的实验数据以及先前阐明的分解机理与一个数值模拟工具相结合，以建立PEEK在三种气氛（氮气、2%氧气和合成空气）下分解的综合动力学模型。通过考虑材料热分解过程中可能发生的不同类型反应（链断裂、热氧化、焦炭形成），建立了具有后续和竞争反应的多步动力学模型。我们之前报告中确定的PEEK的分解产物和分解机理有助于阐明动力学分解模型。一个三步动力学热分解途径非常适合模拟PEEK在氮气下的热分解。该动力学模型涉及一种自催化类型的反应，随后是竞争和连续的n阶反应。针对在2%氧气和空气中PEEK热分解的动力学评估建立了此类模型，得到了具有令人满意逼真度的模型。
