Molecular Perspective of Radionuclides Separation by Nanoporous Graphene Oxide Membrane
Paper ID : 1127-MST2015-FULL
Authors:
Masoud Arabieh *, Hamid Sepehrian
NSTRI
Abstract:
Graphene-derived membranes has gained much interest recently due to its promising potential in filtration and separation applications. Molecular Sieving phenomena of gas molecules in the interlayer of graphene oxide nanopore have been investigated using molecular dynamic (MD) simulation. We explore I-129 gas radionuclides sequestration from natural air in nanoporous graphene oxide membranes in which different sizes and geometries of pores were modeled on the graphene oxide sheet. In the present work, mean-squared displacement (MSD), diffusion, flow of gas, van der Waals interactions between gas molecules and graphene oxide nanopore membrane and the number of crossed gas molecules through graphene oxide nanopore membrane have been calculated and results showed, selective proper nanopores in graphene oxide membrane could dramatically improve separation. The aim of this paper is to show that for the well-defined pore size called P-12, it is possible to separate I-129 from a gas mixture containing I-129, O2 and N2. The results would be benefited by oil industry and others.
Keywords:
Molecular Dynamic (MD) Simulation, Graphene Oxide Nanopore Membrane, Separation, Diffusion Coefficient
Status : Paper Accepted (Poster Presentation)