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Kinetic-parameters-free method of determining autocatalytic decomposition from experimental adiabatic Data
Process Safety and Environmental Protection ( IF 7.8 ) Pub Date : 2020-10-01 , DOI: 10.1016/j.psep.2020.06.011
Xiao-Qiao Zhao , Hao Wang , Wen-Qian Wu , Jun Zhang , Wang-Hua Chen , Zi-Chao Guo , Li-Ping Chen

Abstract The decomposition of many hazardous materials goes through autocatalytic mechanisms. Due to the unpredictably sudden heat evolution companied with the decomposition of these materials, it is of great importance to identify autocatalytic decompositions and treat them with caution. In this work, a kinetic-parameters-free criterion is proposed to determine the autocatalytic decomposition using adiabatic calorimeters. This criterion states that the decompositions are autocatalytic if the values of R T p 2 T f − T p obtained by adiabatic experiments in different conditions are variable; otherwise they follow n-order behavior. Mathematical simulations at different values of φ, α0 and Ton have been conducted for n-order and autocatalytic decompositions to validate the criterion. To further validate the criterion, this method is applied to four representative substances: DCP, 20 % DTBP in toluene, BO and CHP. Overall, the validity of this criterion has been verified by simulation and experiment results.

中文翻译:

从实验绝热数据确定自催化分解的无动力学参数方法

摘要 许多有害物质的分解是通过自催化机制进行的。由于这些材料的分解伴随着不可预测的突然放热,因此识别自催化分解并谨慎对待它们非常重要。在这项工作中,提出了一种无动力学参数的标准来确定使用绝热量热计的自催化分解。该标准指出,如果通过不同条件下的绝热实验获得的 RT p 2 T f − T p 值是可变的,则分解是自催化的;否则它们遵循 n 阶行为。已经针对 n 阶和自催化分解进行了不同 φ、α0 和 Ton 值的数学模拟,以验证标准。为了进一步验证该标准,此方法适用于四种代表性物质:DCP、甲苯中的 20% DTBP、BO 和 CHP。总体而言,该准则的有效性已通过仿真和实验结果得到验证。
更新日期:2020-10-01
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