Molecular Dynamics simulation of water purification using monolayer graphene membrane
Paper ID : 1246-MST2015-FULL
Mohammad Rahiminejad1, Ali Moosavi *2, Alireza Chogani1, Ali Nouri-Borujerdi2
1Tehran, North Tarasht Avenue, Tarasht 3 Dormitory
2Tehran, Sharif University of Technology, Department of Mechanical Engineering
Nowadays, water crisis intensification and clean water dearth, increase the importance of this valuable material. Reverse osmosis is the most efficient desalination technique to date. But, unfortunately water transports slowly via a solution diffusion process in classical RO membranes. Nanoporous materials have a great deal to offer over existing technologies for desalination and purification. Because flux across a membrane scales inversely with the membrane’s thickness, a thin graphene sheet can be used for the flux increment. Potential advantages of graphene over RO membranes include high mechanical strength and low pressure requirements.
In the present study, molecular dynamics simulations are used to investigate the effects of nonopores diameter and functional groups on the water permeability across the monolayer graphene membrane and water purification from pollutant ions. The results can be used to improve the membranes in purification process.
water filtration, numerical study, molecular dynamic, pollutant ions, nanoporous graphene membrane
Status : Paper Accepted (Oral Presentation)