Calculate time to maximum rate under adiabatic condition by numerical calculation method

Yi ZHU; Hao WANG; Liping CHEN; Zichao GUO; Zhongqi HE; Wanghua CHEN

doi:10.11949/j.issn.0438-1157.20180678

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Calculate time to maximum rate under adiabatic condition by numerical calculation method

Process safety | 更新时间：2020-06-24

- Calculate time to maximum rate under adiabatic condition by numerical calculation method
- CIESC Journal Vol. 70, Issue 1, Pages: 379-387(2019)
- 作者机构：
  
  南京理工大学化工学院安全工程系，江苏南京 210094
- 作者简介：
- 基金信息：
- DOI：10.11949/j.issn.0438-1157.20180678
  CLC： O 642.1
- Received：21 June 2018，
  
  Revised：2018-10-05，
  
  Published：05 January 2019
- 稿件说明：
移动端阅览
朱益, 王浩, 陈利平, 郭子超, 何中其, 陈网桦. 基于数值计算方法计算最大反应速率到达时间[J]. 化工学报, 2019, 70(1): 379-387

ZHU Yi, WANG Hao, CHEN Liping, GUO Zichao, HE Zhongqi, CHEN Wanghua. Calculate time to maximum rate under adiabatic condition by numerical calculation method[J]. CIESC Journal, 2019, 70(1): 379-387
朱益, 王浩, 陈利平, 郭子超, 何中其, 陈网桦. 基于数值计算方法计算最大反应速率到达时间[J]. 化工学报, 2019, 70(1): 379-387 DOI： 10.11949/j.issn.0438-1157.20180678.

ZHU Yi, WANG Hao, CHEN Liping, GUO Zichao, HE Zhongqi, CHEN Wanghua. Calculate time to maximum rate under adiabatic condition by numerical calculation method[J]. CIESC Journal, 2019, 70(1): 379-387 DOI： 10.11949/j.issn.0438-1157.20180678.

摘要

最大反应速率到达时间(TMR

)是化工工艺热风险评估中一个十分重要的参数。一般计算TMR

的方法是基于N级模型的分析。但对于复杂的反应过程统一采用N级模型分析计算可能会引起较大偏差甚至得到错误的评估。因此，提出运用基于反应类型的数值计算方法进行TMR

和

D24

的评估，通过分别代表N级反应和自催化反应的20% DTBP甲苯溶液和CHP的ARC测试分析表明：对于N级反应，该方法能可靠地用于TMR

和

D24

的求取；而对于自催化反应，尽管拟合效果很好，原有方法计算偏差很大，原因是不同模型下动力学参数不同，还进行偏差大小分析。由此可知该数值计算方法有广泛的适用性，对于放热曲线，需在了解其反应类型的基础上利用该方法进行TMR

和

D24

的评估，由此评估的结果更为可靠准确。

Abstract

The maximum reaction rate arrival time (TMR

) is a very important parameter in chemical process thermal risk assessment. The general method for calculation of TMR

is based on N-order model kinetic analysis. However

the chemical reaction process is so complicated that only do kinetic analysis based on N-order without consider the type of reaction may cause large deviation or even incorrect assessments. Therefore

this paper proposes to calculate TMR

and

D24

by numerical calculation methods based on reaction model. 20% DTBP toluene solution and CHP represent N-order reaction and autocatalytic reaction

respectively. The analysis of ARC test data of two substances shows this method can be used to calculate TMR

and

D24

of N-order reaction reliably

but the comparison of autocatalytic reaction with two methods shows that although the fitting effect is very good

the general method calculated result has a large deviation

because the kinetic parameters are different under two models

this paper also perform the deviation size analysis. Therefore

it can be seen that the numerical calculation method has wide-range applicability

and to an exothermal curve

it is necessary to use the method to evaluate the TMR

and

D24

based on the understanding of the reaction type

so that the evaluation result is more reliable and accurate.

关键词

Keywords

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