Wei Zhen-Yun, Tan Ji-Shuang, Ma Xiao-Hua, Kong Rong, Liu Xuan, Cheng Chun-Sheng, Li San-Xi
School of Material Science and Engineering, Shenyang University of Technology, Shenyang 110870, Liaoning, China.
Chemical Industry Safety Technology& Engineering Center, Shenyang Research Institute of Chemical Industry, Shenyang, 110021, Liaoning, China.
ACS Omega. 2021 Feb 16;6(8):5582-5590. doi: 10.1021/acsomega.0c05988. eCollection 2021 Mar 2.
To clarify the thermal safety inherent in a new epoxiconazole crystal, differential scanning calorimetry (DSC) and adiabatic accelerating rate calorimetry (ARC) were used for testing and research. The Friedman method and model method were used to analyze thermal decomposition kinetics based on the DSC data, and the -order and autocatalytic decomposition reaction kinetic models were established. The double scan method was utilized to verify the autocatalytic effect during the decomposition process. The Friedman method, -order, and autocatalytic model methods were used to study the substance's thermal decomposition characteristics. ARC data are utilized to verify the aforementioned prediction results and the kinetic parameters that were obtained based on ARC data from -order and autocatalytic model methods that concur with the simulation results. This paper applies the -order and autocatalytic model to the kinetic model to further predict thermal safety parameter time to maximum rate under adiabatic conditions.
为阐明一种新型环氧唑晶体固有的热安全性，采用差示扫描量热法（DSC）和绝热加速量热法（ARC）进行测试研究。基于DSC数据，采用弗里德曼方法和模型方法分析热分解动力学，建立了一级和自催化分解反应动力学模型。利用二次扫描法验证分解过程中的自催化效应。采用弗里德曼方法、一级和自催化模型方法研究该物质的热分解特性。利用ARC数据验证上述预测结果以及基于一级和自催化模型方法的ARC数据获得的动力学参数，这些参数与模拟结果一致。本文将一级和自催化模型应用于动力学模型，以进一步预测绝热条件下热安全参数达到最大反应速率的时间。
