Water transport through graphene and MoS_2 nanopores

摘要

In this work, pressure-driven water transport through graphene and molybdenum disulfide (MoS2) nanopores is investigated through molecular dynamics simulations. The dependence of water flow rate on the pore area and pressure drop is studied for various pore structures. Power-law relationships, Q proportional to A(alpha), with alpha ranging from 1.6 to 1.9 between the flow rate (Q) and the pore area (A), are found, while the flow rate increases linearly with increasing pressure drop. The transport results are explained by the diffusion coefficient and friction coefficient of water molecules through the nanopores, as well as the free energy barriers at the pores.