SCI和EI收录∣中国化工学会会刊

中国化学工程学报 ›› 2025, Vol. 84 ›› Issue (8): 211-226.DOI: 10.1016/j.cjche.2025.06.010

• Full Length Article • 上一篇    下一篇

Prediction of mass transfer performance in gas-liquid stirred bioreactor using machine learning

Feifei Chen1, Zhenyuan Xiao1, Zhongfan Luo1, Peng Jiang1, Jingjing Chen1, Yuanhui Ji2, Jiahua Zhu1, Xiaohua Lu1, Liwen Mu1   

  1. 1. State Key Laboratory of Material-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China;
    2. Jiangsu Province Hi-Tech Key Laboratory for Biomedical Research, School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China
  • 收稿日期:2024-12-08 修回日期:2025-06-19 接受日期:2025-06-26 出版日期:2025-08-28 发布日期:2025-07-02
  • 通讯作者: Jingjing Chen,E-mail:jingjingchen@njtech.edu.cn;Liwen Mu,E-mail:lwmu@njtech.edu.cn
  • 基金资助:
    This research is supported by the National Natural Science Foundation of China (22494713, 22178160, 22327809 and 22208141), Natural Science Foundation of Jiangsu Province, China (BK20220349).

Prediction of mass transfer performance in gas-liquid stirred bioreactor using machine learning

Feifei Chen1, Zhenyuan Xiao1, Zhongfan Luo1, Peng Jiang1, Jingjing Chen1, Yuanhui Ji2, Jiahua Zhu1, Xiaohua Lu1, Liwen Mu1   

  1. 1. State Key Laboratory of Material-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, China;
    2. Jiangsu Province Hi-Tech Key Laboratory for Biomedical Research, School of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, China
  • Received:2024-12-08 Revised:2025-06-19 Accepted:2025-06-26 Online:2025-08-28 Published:2025-07-02
  • Contact: Jingjing Chen,E-mail:jingjingchen@njtech.edu.cn;Liwen Mu,E-mail:lwmu@njtech.edu.cn
  • Supported by:
    This research is supported by the National Natural Science Foundation of China (22494713, 22178160, 22327809 and 22208141), Natural Science Foundation of Jiangsu Province, China (BK20220349).

摘要: The structural and operational optimization of gas-liquid stirred bioreactors presents both complexity and critical importance for enhancing mass transfer performance. This study proposes a machine learning (ML)-driven approach to identify key features and predict the volumetric mass transfer coefficient (kLa). Four ML models were adopted and compared for kLa prediction in Newtonian and non-Newtonian fluids by evaluative indices, with CatBoost and XGBoost emerging as the optimal models, respectively. Specifically, it is demonstrated that Catboost has higher prediction accuracy (AARD = 18.84%) than empirical equations by effectively incorporating multidimensional features (structural, impeller, and operational), while simultaneously extending applicability to diverse Newtonian fluids. For non-Newtonian fluids, XGBoost outperforms empirical equations by effectively incorporating fluid rheological parameters (consistency coefficient, power-law index), thereby better capturing shear-thinning behavior. Feature importance analysis further identified rotational speed (for Newtonian fluids) and liquid height (for non-Newtonian fluids) as the key features, while 2D partial dependence analysis establishes quantitative optimization ranges. This ML approach provides an efficient predictive tool for gas-liquid stirred bioreactor design and optimization.

关键词: Machine learning, Volumetric mass transfer coefficient, Gas-liquid stirred bioreactor, Multi-parameter optimization

Abstract: The structural and operational optimization of gas-liquid stirred bioreactors presents both complexity and critical importance for enhancing mass transfer performance. This study proposes a machine learning (ML)-driven approach to identify key features and predict the volumetric mass transfer coefficient (kLa). Four ML models were adopted and compared for kLa prediction in Newtonian and non-Newtonian fluids by evaluative indices, with CatBoost and XGBoost emerging as the optimal models, respectively. Specifically, it is demonstrated that Catboost has higher prediction accuracy (AARD = 18.84%) than empirical equations by effectively incorporating multidimensional features (structural, impeller, and operational), while simultaneously extending applicability to diverse Newtonian fluids. For non-Newtonian fluids, XGBoost outperforms empirical equations by effectively incorporating fluid rheological parameters (consistency coefficient, power-law index), thereby better capturing shear-thinning behavior. Feature importance analysis further identified rotational speed (for Newtonian fluids) and liquid height (for non-Newtonian fluids) as the key features, while 2D partial dependence analysis establishes quantitative optimization ranges. This ML approach provides an efficient predictive tool for gas-liquid stirred bioreactor design and optimization.

Key words: Machine learning, Volumetric mass transfer coefficient, Gas-liquid stirred bioreactor, Multi-parameter optimization