High time‐resolution and data‐driven kinetic modeling of cumene autoxidation based on a microreactor system

Abstract The cumene autoxidation process holds great significance in the chemical industry. However, existing kinetic models are marred by limitations such as prolonged reaction and sampling intervals, along with the failure to account for the impact of phenol, a key substance. In this work, in the microreactor system, we successfully realized high time resolution data acquisition (5–10 min) and used it to study the effects of various factors, especially phenol, on the oxidation reaction, pointing out the obvious inhibitory effect of phenol. Further, based on the data‐driven modeling, we achieved a good prediction of the kinetics ( R 2 > 0.9) and included phenol in the model. Finally, based on the model, we can successfully optimize and design the reaction.

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Publication Details

Journal
AIChE Journal
Published
2025-05-26
DOI
https://doi.org/10.1002/aic.18873
Citations
1
Primary Topic
Innovative Microfluidic and Catalytic Techniques Innovation
Type
article
Field-Weighted Citation Impact
0.67

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article

High time‐resolution and data‐driven kinetic modeling of cumene autoxidation based on a microreactor system

Qichen Shang, Jian Deng, Yu Chang, Yuyang Xing
1 citations
AIChE Journal
Innovative Microfluidic and Catalytic Techniques Innovation
0.67
article

High time‐resolution and data‐driven kinetic modeling of cumene autoxidation based on a microreactor system

Qichen Shang, Jian Deng, Yu Chang, Yuyang Xing
article en
1 citations

Abstract

Abstract The cumene autoxidation process holds great significance in the chemical industry. However, existing kinetic models are marred by limitations such as prolonged reaction and sampling intervals, along with the failure to account for the impact of phenol, a key substance. In this work, in the microreactor system, we successfully realized high time resolution data acquisition (5–10 min) and used it to study the effects of various factors, especially phenol, on the oxidation reaction, pointing out the obvious inhibitory effect of phenol. Further, based on the data‐driven modeling, we achieved a good prediction of the kinetics ( R 2 > 0.9) and included phenol in the model. Finally, based on the model, we can successfully optimize and design the reaction.

AIChE JournalVol. 71(9)
State Key Laboratory of Chemical Engineering (CN), Tsinghua University (CN)
National Natural Science Foundation of China
Openalex Percentile: Top 31%
Innovative Microfluidic and Catalytic Techniques Innovation
0.67
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