On the desalination performance of multi-layer graphene membranes; A molecular dynamics study

MA Abdol and S Sadeghzadeh and M Jalaly and MM Khatibi, COMPUTATIONAL MATERIALS SCIENCE, 191, 110335 (2021).

DOI: 10.1016/j.commatsci.2021.110335

In this study, the efficiency of a multi-layer graphene membrane with fully aligned pores was discussed in the desalination process. By changing the configurations and parameters such as pore size, pressure, thickness, ion concentration, and pore geometry, the water transfer rate has been observed from the scale 100 to 1000 L/m(2) h bar, which is very close to the transfer rate of water through single-layer graphene sheet and three times larger than conventional reverse osmosis membranes. Small pores (with 0.6 nm in diameter) in the multi-layered graphene membrane pass a small water flow rate even when the high pressures. More water flow rate could be achieved in larger pores, but in the pores with diameters larger than 1.2 nm, the salt rejection is weakened. Increasing the number of layers from five to ten can completely cease the water flow in the same pore diameter. With a 40% reduction in the concentration of ions in the feed area, the water transfer rate is increased by about half. The results of this study can be useful for making a superior membrane for future water crises.

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