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Related Experiment Video

Updated: Jun 27, 2025

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
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Modeling CO2 Adsorption in a Thin Discrete Packing.

Michael Wray1, Farida Amrouche1, Farid Aiouache1

  • 1School of Engineering, Lancaster University, Lancaster LA1 4YR, U.K.

Industrial & Engineering Chemistry Research
|April 29, 2024
PubMed
Summary

3D modeling reveals diffusive transport is key for carbon dioxide (CO2) adsorption in thin tubes, outperforming advection. This finding improves understanding of CO2 capture dynamics in packed beds.

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Area of Science:

  • Chemical Engineering
  • Materials Science
  • Physical Chemistry

Background:

  • Thin tube packed bed adsorbers are crucial for thermochemical energy storage and atmospheric revitalization.
  • Understanding local dynamics of carbon dioxide (CO2) adsorption is vital for optimizing these systems.
  • Existing one-dimensional models often rely on empirical dispersion, limiting accuracy.

Purpose of the Study:

  • To assess the local dynamics of CO2 adsorption within a discrete packing in a thin tube using 3D modeling.
  • To investigate the interplay between exothermicity, fluid flow, and transport mechanisms.
  • To compare the effectiveness of advective versus diffusive transport on CO2 breakthrough trends.

Main Methods:

  • 3D computational modeling of CO2 adsorption dynamics in a thin tube packed bed.
  • Analysis of concentration gradients at inter- and intraparticle scales.
  • Comparison of model results with experimental data from adsorber exit.

Main Results:

  • Diffusive transport was found to be more effective than advective transport in influencing CO2 breakthrough trends.
  • Significant concentration gradients were observed at both inter- and intraparticle levels.
  • Reduced mass transfer resistance in high-velocity areas enhanced convective transport into pores, impacting angular symmetry.

Conclusions:

  • The 3D modeling approach accurately reflects experimental CO2 adsorption data.
  • Diffusive transport plays a more critical role than advection in CO2 breakthrough within these systems.
  • Findings reduce reliance on empirical dispersion models in one-dimensional simulations for packed bed adsorbers.