Gas transport through graphene-derived membranes has gained much interest recently due to its promising potential in filtration and separation applications. In this work, we explore Kr-85 gas radionuclide sequestration from natural air in nanoporous graphene oxide membranes in which different sizes and geometries of pores were modeled on the graphene oxide sheet. This was done using atomistic simulations considering mean-squared displacement, diffusion coefficient, number of crossed species of gases through nanoporous graphene oxide, and flow through interlayer galleries. The results showed that the gas features have the densest adsorbed zone in nanoporous graphene oxide, compared with a graphene membrane, and that graphene oxide was more favorable than graphene for Kr separation. The aim of this paper is to show that for the well-defined pore size called P-7, it is possible to separate Kr-85 from a gas mixture containing Kr-85, O2 and N2. The results would benefit the oil industry among others.

• S. Mahmood Fatemi(Computational and Simulation Group, Nuclear Science and Technology Research Institute, Iran, Department of Nano Chemistry, School of Chemistry, College of Science, University of Tehran, Iran) Corresponding Author
• Masoud Arabieh(Computational and Simulation Group, Nuclear Science and Technology Research Institute, Iran)
• Hamid Sepehrian(Computational and Simulation Group, Nuclear Science and Technology Research Institute, Iran)