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Updated: Jun 24, 2026
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Experimental Study of the Relationship Between Particle Size and Methane Sorption Capacity in Shale
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Adsorption-Induced Pore Volume Deformation: Implications for Excess Adsorption in Kerogen Matrices
Saeed Babaei1, Matej Kanduč2, Benoit Coasne3,4
1Civil Engineering Faculty, K. N. Toosi University of Technology, Tehran 1996715433, Iran.
Langmuir : the ACS Journal of Surfaces and Colloids
|June 23, 2026
Summary
Gas adsorption significantly deforms kerogen
Area of Science:
- Geochemistry and Materials Science
- Computational Chemistry and Physics
Background:
- Accurate prediction of gas storage in shale formations is crucial.
- Kerogen's porous structure significantly influences gas adsorption.
- Gas adsorption can induce structural deformation in kerogen, affecting adsorption isotherms.
Purpose of the Study:
- To investigate the evolution of accessible volume in kerogen during gas adsorption.
- To provide molecular-level insights into the adsorption-deformation process in kerogen.
- To challenge the assumption of a rigid kerogen structure.
Main Methods:
- Hybrid grand canonical Monte Carlo/molecular dynamics simulations.
- Simulations conducted on immature and overmature amorphous kerogen matrices.
- Experiments performed at 363.15 K and pressures up to 50 MPa.
Main Results:
- Gas adsorption causes kerogen strain (2-9%) depending on gas type and kerogen structure.
- Excess adsorption of gases decreases with increasing pressure, with CO2 showing the largest reduction.
- Ethane (C2H6) exhibits the most significant reduction in excess adsorption at low pressures due to its molecular size.
Conclusions:
- Kerogen is a dynamic and deformable material, contrary to the rigid structure assumption.
- Neglecting kerogen's deformation can lead to substantial errors in estimating absolute adsorption.
- Findings are critical for accurate gas-in-place estimations in shale reservoirs and carbon sequestration assessments.
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