Mathematical model of runaway reaction pressure in closed container and its application in vent calculation

doi:10.11949/j.issn.0438-1157.20170403

Abstract

Abstract:

Venting system that can reduce risks under runaway reactions was one of the most economical and effective measures. The study of pressure mathematical model provided necessary parameters for vent calculation, and helped engineers design more reliable venting system by understanding pressure tendency. Moreover, this model supported to calculate vent area in different filling ratios with less experiment. The ARC (accelerating rate calorimeter) test of 20%DTBP (di-tert-butyl peroxide) was chosen as the standard test. Combined with theory, the mathematical model of pressure in closed container was first deduced, which was suitable for adiabatic condition. Then, according to the comparison between adiabatic corrected test data and model simulated data, the correctness for this model was verified. Combined with Leung method, vent calculation was carried out with the model pressure simulation data. From the calculation, the vent area reached its maximum, while the filling ratio equaled 20%. The established closed container pressure model was correct and reliable. Furthermore, this model can be applied to the calculation of vent area.

Key words: vent calculation, mathematical model, accelerating rate calorimeter, di-tert-butyl peroxide, pressure simulation

摘要：

安全泄放是在失控条件下降低反应体系风险最为经济有效的技术措施之一。研究压力的数学模型既可以为泄放计算提供必要的参数，又可以让工程师深入了解样品在容器内的压力变化情况，设计出更可靠的泄放系统，并且在减少实验量的同时，还可以计算不同装载率下的泄放面积。以20% DTBP（过氧化二叔丁基）的ARC（加速度量热仪）测试为标准，结合理论推导得到了绝热条件下密闭容器中失控反应超压的数学模型，并将绝热修正后的压力测试曲线与模型模拟的压力曲线对比，验证了模型的正确性。最后，将模型的压力模拟数据应用于20% DTBP的泄放计算中，结合Leung方法，得到了不同装载率下的泄放面积，发现在装载率为20%时，泄放面积达到最大为0.0035 m²。研究结果表明建立的压力数学模型是正确可靠的，并且该模型能较好地应用于压力泄放的计算中。

关键词: 泄放计算, 数学模型, 加速度量热仪, 过氧化二叔丁基, 模拟压力

CLC Number:

X933

DONG Ze, CHEN Liping, CHEN Wanghua, MA Yingying. Mathematical model of runaway reaction pressure in closed container and its application in vent calculation[J]. CIESC Journal, 2017, 68(11): 4453-4460.

董泽, 陈利平, 陈网桦, 马莹莹. 密闭容器内失控反应超压的数学建模及其在压力泄放中的应用[J]. 化工学报, 2017, 68(11): 4453-4460.

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