Ideal Desalination through Graphyne-4 Membrane: Nanopores for Quantized Water Transport

Abstract: Graphyne-4 sheet exhibits promising potential for nanoscale desalination to achieve both high water permeability and salt rejection rate. Extensive molecular dynamics simulations on pore-size effects suggest that graphyne-4, with 4 acetylene bonds between two adjacent phenyl rings, has the best performance with 100% salt rejection and an unprecedented water permeability, to our knowledge, of ~13L/cm2/day/MPa, about 10 times higher than the state-of-the-art nanoporous graphene reported previously (Nano Lett.s 2012, 12, 3602-3608). In addition, the membrane entails very low energy consumption for producing 1m3 of fresh water, i.e., 3.6e-3 kWh/m3, three orders of magnitude less than the prevailing commercial membranes based on reverse osmosis. Water flow rate across the graphyne-4 sheet exhibits intriguing nonlinear dependence on the pore size owing to the quantized nature of water flow at the nanoscale. Such novel transport behavior has important implications to the design of highly effective and efficient desalination membranes.