Investigation of the Influence of Geometry and External Field on Fluid Flow Through Carbon Nanotubes by Molecular Dynamics Simulation, M.Sc. Thesis Sharif University of Technology ; Moosavi, Ali (Supervisor)
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...
Cataloging briefInvestigation of the Influence of Geometry and External Field on Fluid Flow Through Carbon Nanotubes by Molecular Dynamics Simulation, M.Sc. Thesis Sharif University of Technology ; Moosavi, Ali (Supervisor)
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...
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