The membrane contains four pores, each 1 nm in diameter, with the centers of the pores positioned 3 nm apart. The ion rejection is influenced by both the shape and size of the pores . Pores with diameters of approximately 1 nm allow optimal water passage and salt rejection . Moreover, the even distribution of four pores in an 8 × 8 nm 2 graphene sheet provides sufficient spacing between pores, allowing high water permeability without compromising the mechanical integrity of the sheet . However, in-depth exploration of the membrane topology is beyond the scope of this study. An additional fixed, rigid graphene monolayer (the third layer) is positioned at z = 18.3 nm, defining the permeate reservoir as the region between this graphene layer and the membrane. A total of 7000 water molecules are included in the permeate reservoir to mitigate the effects of solidliquid-gas interactions . The mobile piston moves along the z axis from z = -0.3 to apply compression to the feed. This process continues until half of the water is transferred from the feed to the permeate. However, it is noteworthy that variations in the size and number of pores in the membrane affect the computational time required to achieve the passage of 50% water molecules.