Computational fluid dynamics-discrete element method simulation of stirred tank reactor for graphene production

doi:10.1016/j.cjche.2023.06.005

中国化学工程学报 ›› 2023, Vol. 64 ›› Issue (12): 196-207.DOI: 10.1016/j.cjche.2023.06.005

• Full Length Article • 上一篇下一篇

Computational fluid dynamics-discrete element method simulation of stirred tank reactor for graphene production

Shuaishuai Zhou^1,2, Jing Li², Kaixiang Pang², Chunxi Lu³, Feng Zhu⁴, Congzhen Qiao¹, Yajie Tian¹, Jingwei Zhang²

1. College of Chemistry and Molecular Sciences, Henan University, Kaifeng 475004, China;
2. National & Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials, Henan University, Kaifeng 475004, China;
3. Department of State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Beijing 102249, China;
4. Zhejiang Luoxing Chemical Co., Ltd, Jiaxing 314001, China

收稿日期:2023-02-23 修回日期:2023-06-09 出版日期:2023-12-28 发布日期:2024-02-05
通讯作者: Yajie Tian,E-mail:yjtian@henu.edu.cn;Jingwei Zhang,E-mail:jwzhang@henu.edu.cn
基金资助:
Financial supports by National Natural Science Foundation of China (U2004176, 22008055) and Technology Research Project of Henan Province (232102240034) are gratefully acknowledged.

Computational fluid dynamics-discrete element method simulation of stirred tank reactor for graphene production

Shuaishuai Zhou^1,2, Jing Li², Kaixiang Pang², Chunxi Lu³, Feng Zhu⁴, Congzhen Qiao¹, Yajie Tian¹, Jingwei Zhang²

1. College of Chemistry and Molecular Sciences, Henan University, Kaifeng 475004, China;
2. National & Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials, Henan University, Kaifeng 475004, China;
3. Department of State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Beijing 102249, China;
4. Zhejiang Luoxing Chemical Co., Ltd, Jiaxing 314001, China

Received:2023-02-23 Revised:2023-06-09 Online:2023-12-28 Published:2024-02-05
Contact: Yajie Tian,E-mail:yjtian@henu.edu.cn;Jingwei Zhang,E-mail:jwzhang@henu.edu.cn
Supported by:
Financial supports by National Natural Science Foundation of China (U2004176, 22008055) and Technology Research Project of Henan Province (232102240034) are gratefully acknowledged.

摘要/Abstract

摘要： Liquid phase exfoliation (LPE) process for graphene production is usually carried out in stirred tank reactor and the interactions between the solvent and the graphite particles are important as to improve the production efficiency. In this paper, these interactions were revealed by computational fluid dynamics–discrete element method (CFD-DEM) method. Based on simulation results, both liquid phase flow hydrodynamics and particle motion behavior have been analyzed, which gave the general information of the multiphase flow behavior inside the stirred tank reactor as to graphene production. By calculating the threshold at the beginning of graphite exfoliation process, the shear force from the slip velocity was determined as the active force. These results can support the optimization of the graphene production process.

关键词: Computational fluid dynamics, Discrete element method, Stirred tank, LPE process, Liquid–particle interactions

Abstract: Liquid phase exfoliation (LPE) process for graphene production is usually carried out in stirred tank reactor and the interactions between the solvent and the graphite particles are important as to improve the production efficiency. In this paper, these interactions were revealed by computational fluid dynamics–discrete element method (CFD-DEM) method. Based on simulation results, both liquid phase flow hydrodynamics and particle motion behavior have been analyzed, which gave the general information of the multiphase flow behavior inside the stirred tank reactor as to graphene production. By calculating the threshold at the beginning of graphite exfoliation process, the shear force from the slip velocity was determined as the active force. These results can support the optimization of the graphene production process.

Key words: Computational fluid dynamics, Discrete element method, Stirred tank, LPE process, Liquid–particle interactions

Shuaishuai Zhou, Jing Li, Kaixiang Pang, Chunxi Lu, Feng Zhu, Congzhen Qiao, Yajie Tian, Jingwei Zhang. Computational fluid dynamics-discrete element method simulation of stirred tank reactor for graphene production[J]. 中国化学工程学报, 2023, 64(12): 196-207.

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Computational fluid dynamics-discrete element method simulation of stirred tank reactor for graphene production

Computational fluid dynamics-discrete element method simulation of stirred tank reactor for graphene production

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