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Numerical simulation of the thermal decomposition of tert-butyl peroxyacetate in adiabatic tests
Process Safety and Environmental Protection ( IF 7.8 ) Pub Date : 2021-07-15 , DOI: 10.1016/j.psep.2021.07.017
Jiawei Cui 1 , Lei Ni 2 , Juncheng Jiang 1, 2 , Shuliang Ye 3, 4 , Saili Shen 2 , Mengya Zou 2
Affiliation  

Adiabatic calorimeters (ARCs) are critical in thermal analysis and thermal hazard assessment. As testing equipment continually improves, analyzing changes in physical fields in sample pools during thermal decomposition reactions is increasingly essential. Therefore, this study analyzed the thermal decomposition of tert-butyl peroxyacetate (TBPA). On the basis of the computational fluid dynamics (CFD) numerical simulation method and the kinetic model of TBPA thermal decomposition, a full-scale model of an adiabatic reactor for the thermal decomposition of TBPA was constructed. The temperature rise curve obtained after monitoring the temperature of the system during thermal decomposition was compared with that obtained during the experiment; thus, the rationality of the CFD model was verified. Accordingly, the temperature field, temperature rate, and velocity field in the reactor were analyzed. The temperature distribution of the system was relatively uniform during thermal decomposition under completely adiabatic conditions, resulting in an effectively nonexistent temperature gradient. At the same time, the self-heat rate (dT/dt) of the system in the process of thermal decomposition was analyzed. It was found that self-heat rate (dT/dt) of the system in the full sensing state was much larger than that in the experimental process, maximum self-heat rate ((dT/dt)max) reaching 15℃/min, while in the experimental process was only 1.074℃/min.



中文翻译:

过氧乙酸叔丁酯绝热试验热分解的数值模拟

绝热量热计 (ARC) 在热分析和热危害评估中至关重要。随着测试设备的不断改进,分析热分解反应过程中样品池中物理场的变化变得越来越重要。因此,本研究分析了过氧乙酸叔丁酯 (TBPA) 的热分解。基于计算流体动力学(CFD)数值模拟方法和TBPA热分解动力学模型,构建了TBPA热分解绝热反应器全尺寸模型。将在热分解过程中监测系统温度后得到的温升曲线与实验中得到的曲线进行比较;从而验证了CFD模型的合理性。相应地,温度场、温度速率、和反应器中的速度场进行了分析。在完全绝热条件下的热分解过程中,系统的温度分布相对均匀,导致实际上不存在温度梯度。同时分析了体系在热分解过程中的自热率(dT/dt)。发现系统在全传感状态下的自热率(dT/dt)远大于实验过程中的最大自热率((dT/dt) 分析了体系在热分解过程中的自热率(dT/dt)。发现系统在全传感状态下的自热率(dT/dt)远大于实验过程中的最大自热率((dT/dt) 分析了体系在热分解过程中的自热率(dT/dt)。发现系统在全传感状态下的自热率(dT/dt)远大于实验过程中的最大自热率((dT/dt)max )达到15℃/min,而在实验过程中仅为1.074℃/min。

更新日期:2021-07-22
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