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March 13, 2026Industrial & Engineering Chemistry Research1 citations

Physics-Informed DeepONet for Fixed-Bed Reactor Design and Multiobjective Optimization

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ZMZicheng MengTLTingting LiuLMLijing Mu

Key Points

  • The research aims to optimize fixed-bed reactor designs using a physics-informed DeepONet framework to enhance performance.
  • Developed a physics-informed DeepONet framework combining a branch net and a trunk net for prediction.
  • Embedded mass conservation constraints in the loss function for physical consistency.
  • Used a genetic algorithm for efficient design optimization of reactor geometries.
  • Achieved 23.46% improvement in ethylene conversion.
  • Achieved 1.46% increase in ethylene oxide yield compared to the base case.
  • Demonstrated higher accuracy compared to traditional data-driven models.

Abstract

Fixed-bed reactors are widely employed in industrial processes such as ethylene oxide production. Traditional multiobjective optimization typically requires repeated evaluations of a large number of candidate designs, making it time-consuming and computationally expensive. This study introduces a physics-informed DeepONet framework for multi-objective prediction. The model encodes catalyst geometric parameters via a multilayer perceptron (branch net) and processes 3D spatial coordinates using a convolutional neural network (trunk net) to extract spatial features. To ensure physical consistency, mass conservation constraints are embedded in the loss function. The proposed framework effectively captures the nonlinear mapping between 3D structural parameters and flow fields, achieving much higher accuracy compared to purely data-driven models. Coupled with a genetic algorithm, it enables the efficient identification of optimal geometries, resulting in improvements of 23.46% in ethylene conversion and 1.46% in ethylene oxide yield compared with the base case operating point, thereby facilitating practical advancements in industrial reactor design and optimization.

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Cite This Study

Meng et al. (2026) studied this question.

synapsesocial.com/papers/69b3acb202a1e69014cce981https://doi.org/10.1021/acs.iecr.5c04676
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