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Wetting Behavior of Kerogen Surfaces: Insights from Molecular Dynamics
Neda Sanchouli1, Saeed Babaei2, Matej Kanduč3
1Department of Petroleum Engineering, Shahid Bahonar University of Kerman, Kerman 7616914111, Iran.
Investigating kerogen wettability in shale reservoirs, this study found that surface flexibility and roughness increase hydrophilicity. Kerogen
Area of Science:
- Geochemistry
- Petroleum Geoscience
- Materials Science
Background:
- Kerogen, the organic matter in shale, dictates reservoir wettability.
- Understanding kerogen wettability is crucial for optimizing hydrocarbon recovery and carbon storage.
Purpose of the Study:
- To investigate the wettability of kerogen surfaces using molecular dynamics simulations.
- To analyze the influence of droplet size, morphology, and surface roughness on water contact angles.
Main Methods:
- Molecular dynamics simulations were employed to model kerogen-surface interactions.
- Water contact angles were calculated for varying droplet sizes and surface characteristics.
Main Results:
- Contact angle dependency on droplet size increased with surface rigidity.
- Increased surface flexibility and roughness led to higher hydrophilicity due to enhanced hydrogen bonding.
- Kerogen wettability transitioned between hydrophilic and hydrophobic states (contact angles 65-75°).
Conclusions:
- Kerogen nanostructure significantly impacts wetting preference, influencing water-oil interactions.
- These findings are vital for improving fluid management strategies in shale reservoirs for applications like carbon sequestration and oil extraction.
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