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A simple kinetic method for the determination of the reaction model from non-isothermal experiments

机译:非等温实验确定反应模型的简单动力学方法

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摘要

In a recent article, we obtained an approximate solution for the evolution of a transformed fraction under isochronal conditions for a large variety of single-step transformations. We verified that this solution is accurate and can, in many instances, be used instead of the exact numerical solutions of the corresponding differential equations. In this article we want to examine the possibilities offered by an analytical solution in the analysis of thermoanalytical curves. We will show that for single-step transformations, our model predicts that under the proper time scaling the thermograms obtained at different heating rates merge into a single curve. This 'universal curve' is exclusively related to the kinetic model. In addition, the universal curve can be obtained from experimental thermograms by means of a simple transformation. In this way, the dependence of the experimental curves on the rate constant and the kinetic model can easily be separated, making it possible to independently determine the kinetic parameters and the kinetic model. In addition, one can easily check the validity of the kinetic analysis as well as calculate a reliable statistical measure of the goodness of the single-step assumption.
机译:在最近的一篇文章中,我们获得了在等时条件下进行多种单步转化的转化馏分演化的近似解决方案。我们验证了该解决方案的准确性,并且可以在许多情况下代替相应的微分方程的精确数值解决方案。在本文中,我们要研究在热分析曲线分析中由解析解决方案提供的可能性。我们将显示,对于单步转换,我们的模型预测,在适当的时间缩放下,以不同加热速率获得的温度记录图将合并为一条曲线。该“通用曲线”仅与动力学模型有关。另外,可以通过简单的变换从实验热分析图中获得通用曲线。以此方式,可以容易地分离实验曲线对速率常数和动力学模型的依赖性,从而可以独立确定动力学参数和动力学模型。此外,人们可以轻松地检查动力学分析的有效性,并可以计算出可靠的单步假设统计量。

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