ArticleLangmuir : the ACS journal of surfaces and colloids2024
Wetting Behavior of Kerogen Surfaces: Insights from Molecular Dynamics.
Article in Langmuir : the ACS journal of surfaces and colloids, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Interfacial Molecular Mechanisms Governing the NMR Relaxation of Clay-Bound Water in Organic-Rich Shales with Implications for NMR Logging.Molecules (Basel, Switzerland) · 2026Article
- Adsorption-Induced Deformation in Microporous Kerogen by Hydrogen and Methane: Implications for Underground Hydrogen Storage.Langmuir : the ACS journal of surfaces and colloids · 2025Article
Corrections and comments
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Authors and funding
5 authors.
Funding
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Abstract
In this study, the wettability of a kerogen surface, a key component of shale reservoirs, is investigated by using molecular dynamics simulations. Specifically, we examined the impact of droplet size and morphology as well as surface roughness on the water contact angles. The findings highlighted that the contact angle dependency on the droplet size intensifies with increased rigidity of the surface. Conversely, as the surface becomes more flexible and rougher, it gains hydrophilicity. The higher hydrophilicity stems from the ability of water molecules to penetrate the kerogen corrugations and form more hydrogen bonds with heteroatoms, particularly oxygen. Notably, the contact angle of kerogen hovers between 65 and 75°, thereby crossing the transition from an underoil hydrophilic to an underoil hydrophobic state. Consequently, minor alterations in the kerogen nanostructure can dramatically alter the wetting preference between water and oil. This insight is of paramount significance for refining strategies in managing fluid interactions in shale reservoirs such as geological carbon storage or oil extraction.
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Registered trials
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