TY - JOUR
T1 - Parametric sensitivity analysis for thermal runaway in semi-batch reactors
T2 - Application to cyclohexanone peroxide reactions
AU - Zang, Na
AU - Qian, Xin Ming
AU - Shu, Chi Min
AU - Wu, Dejian
N1 - Publisher Copyright:
© 2021 Elsevier Ltd
PY - 2021/5
Y1 - 2021/5
N2 - The semi-batch reactors (SBRs) system, which is widely used in industrial processes, possesses an intrinsic parametric sensitivity, in which infinitesimal disturbances of input parameters can result in large variations in output variables. In this work, local parametric sensitivity analysis (PSA) was used to understand parameter variations and global PSA was conducted to examine the interaction of input parameters. The effects of these parameters on the output of the system model were analyzed based on the Monte Carlo method with Latin hypercube sampling and the extended Fourier amplitude sensitivity test model. The results showed that the evolution of thermal behaviors in SBRs were observed: marginal ignition; thermal runaway; and the quick onset, fair conversion, and smooth temperature profile. The threshold point of transition from marginal ignition to thermal runaway was at the maximal value of local sensitivity, for which the slope with respect to cooling temperature equaled zero. Moreover, the sequence of the global sensitivity of six common input parameters was computed and evaluated. The reliability of the numerical models was verified by using our previous experimental results of cyclohexanone peroxide reaction. This comprehensive sensitivity analysis could provide valuable operating information to improve chemical process safety.
AB - The semi-batch reactors (SBRs) system, which is widely used in industrial processes, possesses an intrinsic parametric sensitivity, in which infinitesimal disturbances of input parameters can result in large variations in output variables. In this work, local parametric sensitivity analysis (PSA) was used to understand parameter variations and global PSA was conducted to examine the interaction of input parameters. The effects of these parameters on the output of the system model were analyzed based on the Monte Carlo method with Latin hypercube sampling and the extended Fourier amplitude sensitivity test model. The results showed that the evolution of thermal behaviors in SBRs were observed: marginal ignition; thermal runaway; and the quick onset, fair conversion, and smooth temperature profile. The threshold point of transition from marginal ignition to thermal runaway was at the maximal value of local sensitivity, for which the slope with respect to cooling temperature equaled zero. Moreover, the sequence of the global sensitivity of six common input parameters was computed and evaluated. The reliability of the numerical models was verified by using our previous experimental results of cyclohexanone peroxide reaction. This comprehensive sensitivity analysis could provide valuable operating information to improve chemical process safety.
KW - Cyclohexanone peroxide
KW - Monte Carlo method
KW - Parametric sensitivity analysis
KW - Semi-batch reactor
KW - Thermal runaway
UR - http://www.scopus.com/inward/record.url?scp=85101281157&partnerID=8YFLogxK
U2 - 10.1016/j.jlp.2021.104436
DO - 10.1016/j.jlp.2021.104436
M3 - Article
AN - SCOPUS:85101281157
SN - 0950-4230
VL - 70
JO - Journal of Loss Prevention in the Process Industries
JF - Journal of Loss Prevention in the Process Industries
M1 - 104436
ER -