Molecular Simulation of Methane Adsorption in Deep Shale Nanopores: Effect of Rock Constituents and Water
The molecular models of nanopores for major rock constituents in deep shale were constructed. The microscopic adsorption behavior of methane was simulated by coupling the grand canonical Monte Carlo and Molecular Dynamics methods and the effect of rock constituents was discussed. Based on the illite...
| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-05-01
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| Series: | Minerals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2075-163X/13/6/756 |