سعداله ابراهیمی

In the present study, the water desalination across the penta-graphene has been explored by using molecular dynamics simulation. The penta-graphene, a new carbon allotrope, introduced theoretically in 2015. It was shown that this carbon nanostructure is slightly stiffer against buckling in comparison with the graphene nanoribbons. The effect of radius of curvature (ROC) of the membrane, pore size, and applied pressure, on water flow rate, and salt rejection is investigated. It is shown that salt rejection, and the shape of the oxygen density distribution inside the pore can be influenced by the ROC of membrane. Finally, it is shown that the ROC, and pore size of 2D membranes, play an important role in the salt rejection.