کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1559782 | 1513888 | 2016 | 6 صفحه PDF | دانلود رایگان |
• Water desalination across Si-passivated nanopores graphene has been investigated.
• By increasing the intensity of the ripples of membrane, flow rate reduces.
• By increasing intensity of the ripples, salt rejection increases.
• For the systems with fixed membrane, the oxygen density surface is symmetric.
In this study, the water desalination across Si-passivated nanopores graphene has been investigated by using molecular dynamic simulation. The effect of pore size, membrane curvature, and applied pressure on water flow rate is explored. It is shown that the salt ions rejection can be affected by membrane curvature. Furthermore, it is shown that in the pore vicinity, the oxygen density distribution is symmetrical and asymmetrical for the fixed and unfixed membranes, respectively. Finally, it is examined that the shapes of density surface can play an important role in the salt ion rejection.
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Journal: Computational Materials Science - Volume 124, November 2016, Pages 160–165