A parameter estimation method for chromatographic separation process based on physics-informed neural network.

Journal: Journal of chromatography. A
PMID:

Abstract

Chromatographic separation processes are most often modeled in the form of partial differential equations (PDEs) to describe the complex adsorption equilibria and kinetics. However, identifying parameters in such a model requires substantial computational effort. In this work, a novel parameter estimation approach using a Physics-informed Neural Network (PINN) model is developed and tested for a binary component system. Numerical accuracy of our PINN model is confirmed by validating its simulations against those of the finite element method (FEM). Furthermore, model parameters in the kinetic model are estimated by the PINN model with sufficient accuracy from the observed data at the column outlet, where parameter fitting error can be reduced by up to 35.0 % from the conventional method. In a comparison with the conventional numerical method, our approach can reduce the computational time by up to 95 %. The robustness of the PINN model has also been demonstrated by estimating model parameters from noisy artificial experimental data.

Authors

  • Tao Zou
    School of Mechanical and Electrical Engineering, Guangzhou University, Guangzhou 510006, China.
  • Tomoyuki Yajima
    Department of Materials Process Engineering, Nagoya University, Furo-cho 1, Chikusa, Nagoya, Aichi, 464-8603 Japan.
  • Yoshiaki Kawajiri
    Department of Materials Process Engineering, Nagoya University, Furo-cho 1, Chikusa, Nagoya, Aichi, 464-8603 Japan; School of Engineering Science, LUT University, Mukkulankatu 19, 15210 Lahti, Finland. Electronic address: kawajiri@nagoya-u.jp.