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Study on the Solution and Variation Law of Diffusion Coefficient Based on the Numerical Simulation Optimization

Shangkun Shen1,2,3, Haifeng Wang1,2,3, Tianwei Ren1,2,3

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ACS Omega
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Summary

Numerical simulations offer a fast and accurate method for determining methane diffusion coefficients in coal. This approach simplifies complex calculations, revealing how diffusion changes over time and with varying coal properties.

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Area of Science:

  • Geochemistry
  • Chemical Engineering
  • Materials Science

Background:

  • Methane diffusion coefficient is crucial for understanding gas transport in coal seams.
  • Traditional analytical solutions for diffusion coefficients are often complex and limited in applicability.
  • Numerical simulation offers a potentially more accessible and efficient alternative.

Purpose of the Study:

  • To evaluate the numerical simulation optimization method for solving the methane diffusion coefficient in coal particles.
  • To investigate the influence of experimental conditions (pressure, particle size, metamorphic degree) on the diffusion coefficient.
  • To analyze the variation laws of diffusion coefficients under different coal properties.

Main Methods:

  • Gas desorption experiments were performed on coal samples with varied initial gas pressures, particle sizes, and metamorphic degrees.
  • The numerical simulation optimization method was employed in conjunction with theoretical models to determine the diffusion coefficient.
  • Statistical analysis (d-values) was used to validate the accuracy of the simulation results against experimental data.

Main Results:

  • The numerical simulation optimization method accurately determined the diffusion coefficient, with d-values < 0.2 compared to experimental data.
  • The method efficiently solved for the diffusion coefficient and elucidated the time-dependent diffusion concentration.
  • The diffusion coefficient was found to be independent of initial gas pressure but exhibited a Z-shaped relationship with particle size and a V-shaped relationship with metamorphic degree.

Conclusions:

  • The numerical simulation optimization method is effective, accurate, and efficient for calculating methane diffusion coefficients in coal.
  • This method provides valuable insights into the dynamics of gas diffusion and its dependence on coal characteristics.
  • Understanding these relationships is vital for optimizing coalbed methane extraction and managing gas hazards.