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Modelling of nonisothermal kinetics in thermogravimetry

机译:热重法中的非等温动力学建模

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A new, fast and simple numerical method is proposed for modelling data of thermogravimetric analysis under arbitrary temperature-time relationships. The algorithm searches for activation energies and rate constants by means of minimistation of the average square of deviation, #DELTA#, between computed and experimental curves on a scale of the logarithm of reduced time that, in turn, is experessed as the integral of the Arrhenius exponential. The algorithm tests phenomenological relations by considering the process mechanism. Eighteen known models corresponding to different physical and chemical processes are indluded as the basic set in the algorithm. Sequential analysis of the 18 variants and arrangement of values of #DELTA#~(1/2) in ascending order allow a selction of the best of models. The less #DELTA#~(1/2) is, the nearer is the calculatedactivation energy to the correct value. Then one can detect that satisfactory models provide a good approximation of the original kinetic curves.
机译:提出了一种新的,快速简便的数值方法,用于在任意温度-时间关系下对热重分析数据进行建模。该算法通过最小化计算曲线和实验曲线之间的平均偏差平方#DELTA#以减少时间的对数刻度来搜索活化能和速率常数,而时间的对数则被看作是积分的整数。 Arrhenius指数。该算法通过考虑过程机制来测试现象学关系。对应于不同物理和化学过程的十八种已知模型被作为算法中的基本集合。对18个变体进行顺序分析并按升序排列#DELTA#〜(1/2)的值,以便选择最好的模型。 #DELTA#〜(1/2)越小,计算出的激活能越接近正确值。然后可以检测到令人满意的模型可以很好地近似原始动力学曲线。

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