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In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging

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Statistical Effective Diffusivity Estimation in Porous Media Using an Integrated On-site Imaging Workflow for

James Le Houx¹, Siul Ruiz², Daniel McKay Fletcher^2,3

¹Department, Diamond Light Source, Harwell Science and Innovation Campus, Fermi Ave, Didcot, Oxfordshire OX11 0DE UK.

Transport in Porous Media

|September 4, 2023

Summary

This study enhances OpenImpala for faster, accurate estimation of porous media transport parameters. The improved model provides agile, bulk-scale effective diffusivity, crucial for real-time synchrotron imaging analysis.

Keywords:

Homogenisation Image-based modelling Numerical methods Porous media

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Last Updated: Jul 17, 2025

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Published on: February 25, 2015

Area of Science:

Porous media physics
Computational modeling
Synchrotron imaging

Background:

Transport in porous media is vital across many scientific and engineering fields.
Image-based modeling offers detailed pore-scale insights but is computationally intensive.
Real-time, bulk-scale parameter estimation is needed for efficient imaging campaigns.

Purpose of the Study:

To enhance the OpenImpala image-based model solver.
To enable fast estimation of bulk-scale effective transport parameters, specifically effective diffusivity.
To validate the enhanced model's accuracy and computational speed against established methods.

Main Methods:

Modified OpenImpala's boundary conditions and equations for multi-scale homogenization.
Estimated effective pore space diffusivity across various elementary volume sizes.
Validated results against COMSOL Multiphysics and compared computational performance.

Main Results:

OpenImpala accurately estimated effective diffusivity, comparable to COMSOL.
Homogenized domains using effective diffusivity showed less than 2% error compared to full models.
OpenImpala simulations were two orders of magnitude faster than COMSOL.

Conclusions:

The enhanced OpenImpala provides a fast and agile tool for assessing porous media.
It is suitable for on-site tomography processing pipelines at synchrotron beamlines.
The model aids in guiding imaging campaigns in real-time.