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This research aims to investigate the transport mechanisms of shale oil within kerogen nanopores using molecular dynamics simulations.

Shale Oil Transport in Kerogen Nanopores by Molecular Dynamics Simulation: Coupled Effects of Nanoconfinement and Thermodynamics

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Molecular dynamics simulation reveals fluid transport properties in kerogen nanopores, indicating implications for shale oil mobility.

This research aims to investigate the transport mechanisms of shale oil within kerogen nanopores using molecular dynamics simulations.
Conducted nonequilibrium molecular dynamics simulations to assess n-octane transport in Type II-C kerogen.
Analyzed effects of pore apertures (3–11 nm), temperatures (313–393 K), and pressures (10–30 MPa).
Developed semiempirical models to better predict fluid transport under complex conditions.
Confined n-octane exhibits parabolic flow with high-density adsorption layers at the nanopore boundaries.
Elevated temperatures enhance fluid flow by reducing interactions with pore walls; higher pressures inhibit transport due to increased fluid-wall interactions.
Proposed models decouple thermal, pressure, and geometric effects on apparent viscosity, aiding Darcy's law corrections.

Xu et al. (2026) studied this question.

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View Full Paper

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Authors

Molecular dynamics simulation reveals fluid transport properties in kerogen nanopores, indicating implications for shale oil mobility.

This research aims to investigate the transport mechanisms of shale oil within kerogen nanopores using molecular dynamics simulations.
Conducted nonequilibrium molecular dynamics simulations to assess n-octane transport in Type II-C kerogen.
Analyzed effects of pore apertures (3–11 nm), temperatures (313–393 K), and pressures (10–30 MPa).
Developed semiempirical models to better predict fluid transport under complex conditions.
Confined n-octane exhibits parabolic flow with high-density adsorption layers at the nanopore boundaries.
Elevated temperatures enhance fluid flow by reducing interactions with pore walls; higher pressures inhibit transport due to increased fluid-wall interactions.
Proposed models decouple thermal, pressure, and geometric effects on apparent viscosity, aiding Darcy's law corrections.

Xu et al. (2026) studied this question.

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