Exploring the potential of nanoporous amorphous graphene as a reverse osmosis membrane: Insights from molecular dynamics simulations

M Gounzari and F Amallal and M Bouzelmad and Y Belkassmi and A Kotri, CHEMICAL PHYSICS LETTERS, 848, 141393 (2024).

DOI: 10.1016/j.cplett.2024.141393

Recently, it has been confirmed that using two-dimensional nanoporous materials as a membrane in the desalination process could be one of the future solutions to freshwater access issues. We simulated the reverse osmosis desalination process using molecular dynamics simulation (MD) to analyze the efficiency of nanoporous amorphous graphene (NPAG) to filtrate Na and Cl ions from saltwater. The findings of filtration through NPAG indicate that amorphous graphene membrane performance is lower than that of crystalline graphene, which has a higher permeability compared to standard RO membranes. The calculated ion rejection of NPAG is lower than 97% for the majority of configurations investigated.

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