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This study developed a novel model to precisely simulate gas transport in nanopores, considering molecular interactions and stress. The model enhances the accuracy and efficiency of managing gas flow in these critical environments.

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Area of Science:

  • Geosciences
  • Chemical Engineering
  • Materials Science

Background:

  • Current models struggle to integrate gas molecule-pore wall interactions, multiphase flow, and stress distribution in nanopores.
  • Accurate prediction and management of gas transport in nanopores are crucial for various applications.

Purpose of the Study:

  • To develop a comprehensive multifield coupling model for predicting gas transport in nanopores.
  • To accurately capture the correlation between gas molecules, pore wall interactions, multiphase flow, and stress distribution.

Main Methods:

  • Utilized molecular dynamics (MD) simulations to model gas molecule motion and interactions.
  • Established a multiscale continuum mechanics model incorporating pore wall interactions and a diffusion equation.
  • Employed finite element analysis and porous media models for seepage simulation and stress distribution analysis.

Main Results:

  • The multifield coupling model was experimentally validated for diffusion, seepage, and stress distribution.
  • Achieved low mean root-mean-square error (<0.20) and mean absolute error (<0.17) across different simulation tools.
  • The model effectively describes gas transmission within nanopores.

Conclusions:

  • The developed model provides a more accurate and efficient approach to managing gas transport in nanopores.
  • This research advances the understanding of complex gas behavior at the nanoscale.
  • The findings have implications for optimizing gas recovery and storage in porous media.