Dynamic coupling of rigid in-plane pore oscillations and flow through nanoporous two-dimensional membranes

JPM Cordeiro and NR Aluru, PHYSICAL REVIEW FLUIDS, 9, 064201 (2024).

DOI: 10.1103/PhysRevFluids.9.064201

Most of the literature on flow through nanoporous two-dimensional membranes has focused on static membranes under quasiequilibrium conditions. However, various studies have shown the relevance of fluid- structure interactions-particularly dynamic coupling- on flow through nanopores and nanotubes. A fundamental understanding of the effects of membrane oscillations could provide the missing link to the development of ultraefficient nanofluidic systems for water desalination, gas separation, and other applications. Herein, we use molecular dynamics simulations to study the effects of rigid in -plane harmonic pore oscillations on water flow through nanoporous graphene. First, we repurpose a used technique as a framework to avoid injecting arbitrary amounts of heat into the interfacial water, thereby isolating the physical mechanisms caused by the pore's movement. Then we demonstrate that the considered pore oscillations enhance flow by increasing the average axial velocity and decreasing the average density of water inside the pore due to the dynamic opening and closing of flow routes inside the pore. Finally, we show how these effects manifest themselves in relevant fluid properties for both single-file or collective- diffusion and frictional flows.

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