Investigation of the Influence of Geometry and External Field on Fluid Flow Through Carbon Nanotubes by Molecular Dynamics Simulation

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Khodabakhshi, Milad | 2016

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Type of Document: M.Sc. Thesis
Language: Farsi
Document No: 49111 (08)
University: Sharif University of Technology
Department: Mechanical Engineering
Advisor(s): Moosavi, Ali
Abstract:
Water transportation through carbon nanotubes is key for designing nanodevices. The directed transport of water molecules through a rotating charged carbon nanotube (CNT) is investigated by molecular dynamics simulations. It is found that the net flux of continuous unidirectional water flow depended sensitively on the charge distribution, charge density and rotation of the CNT. we find that for a constant charge density, the water flux increases with the increase of the charge difference. Besides, we find that the water flux shows a nonlinear dependence on the angular velocity of the rotation. The rotation of the CNT with low angular velocities, can not generate a continuous water flux. The water flux increases with the increase of the angular velocity of the rotation and it will decrease under a very high angular velocity. We also find that the water flux shows a logarithmic dependence on the charge density. Finally, we investigate the effect of radius of the CNT on the water flux. Further, by the use of a dragging theory,we described the water behaviors inside the CNT. Our findings provide insight into designing nanosized pumps and high-flux nanofluidic systems
Keywords:
Molecular Dynamics ; Carbon Nanotubes ; Angular Velocity ; Nano Sized ; Water Molecules ; Charge Distribution

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