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Studying chemical reaction rate using a difference algebraic converging method— A study on the thermal decomposition of poly-α-methyl styrene
Polymer Degradation and Stability ( IF 6.3 ) Pub Date : 2019-10-22 , DOI: 10.1016/j.polymdegradstab.2019.109011
Weiguo Sun , Yi Zhang , Jia Fu , Zhanwen Zhang , Weidong Wu , Yongjian Tang

A difference algebraic converging method for rate problem (DACMr) is proposed to study the rate function of a simple chemical reaction that is the function of activation energy and rate constant. The applications of this method to the thermal decomposition reactions of solid poly-α-methyl styrene (PαMS) indicate that: 1) All experimental thermal decomposition reaction rate functions W(T) are excellently reproduced using converged DACMr rate constant a(Np) and activation energy Ea. 2) The DACMr results can correctly generate the physical data of this thermal decomposition reaction in the reaction boundary region where experiments have difficulties. 3) The DACMr results correctly describe the observed data crossing between the rate functions of a greater PαMS molecule and that of a smaller one. 4) The DACMr method might be extended to study the rate problem of other simple chemical reactions.



中文翻译:

差分代数收敛法研究化学反应速率—聚α-甲基苯乙烯的热分解研究

代数会聚方法差速率问题(DACMr)提出研究简单的化学反应是活化能和速率常数的函数的速率的功能。该方法在固体聚α-甲基苯乙烯(PαMS)热分解反应中的应用表明:1)所有实验性热分解反应速率函数w ^Ť使用会聚的DACMr速率常数完美复制一种ñp 和活化能 E一种2)DACMr结果可正确地产生在实验有困难的反应边界区域该热分解反应的物理数据。3)DACMr结果正确地描述的较小的一个更大的PαMS分子的速率功能之间和所观察到的数据交叉。4)DACMr方法可能被扩展研究其他简单的化学反应的速率的问题。

更新日期:2019-10-22
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