Penetration and Displacement Behavior of N2 in Porous Interlayer Structures Containing Water/Salt Component by Molecular Dynamics Simulation

The penetration and displacement behavior of N₂ molecules in porous interlayer structures containing a water/salt component with porosities of 4.29%, 4.73%, 5.17%, 7.22%, and 11.38% were explored using molecular dynamics simulations. The results demonstrated that the large porosity of the interlayer structures effectively enhanced the permeation and diffusion characteristics of N₂. The water and salt in the interlayer structures were displaced during the injection of N₂ in the porosity sequence of 4.29% < 4.73% < 5.17% < 7.22% < 11.38%. The high permeance of 7.12 × 10⁻⁶ indicated that the interlayer structures with a porosity of 11.38% have better movability. The strong interaction of approximately 15 kcal/mol between N₂ and H₂O had a positive effect on the diffusion of N₂ and the displacement of H₂O before it reached a stable equilibrium state. The distribution of N₂ in porous interlayer structures and the relationship between the logarithm of permeability and breakthrough pressure were presented. This work highlighted the effects of porosity on the permeability and diffusion of N₂/H₂O in the interlayer, thus providing theoretical guidance for the development of petroleum resources.