Simulation of Fluid Flow in Nonstraight Nanochannels, M.Sc. Thesis Sharif University of Technology ; Mousavi, Ali (Supervisor)
Abstract
Understanding the flow of liquids and particularly water in nanochannels is important for scientific and technological applications, such as for filtration and drug delivery. In this study, we perform molecular dynamics simulations to investigate the transfer of single-file water molecules across straight or nonstraight single-walled carbon nanotubes (SWCNTs). In contrast with the macroscopic scenario, the nonstraight nanostructure can increase the water permeation. Remarkably, compared with the straight SWCNT, the nonstraight SWCNT with the minimal bending angle of 30° in the simulations can enhance the water transport up to 3.9 times. Also increasing length and diameter of carbon nanotubes...
Cataloging briefSimulation of Fluid Flow in Nonstraight Nanochannels, M.Sc. Thesis Sharif University of Technology ; Mousavi, Ali (Supervisor)
Abstract
Understanding the flow of liquids and particularly water in nanochannels is important for scientific and technological applications, such as for filtration and drug delivery. In this study, we perform molecular dynamics simulations to investigate the transfer of single-file water molecules across straight or nonstraight single-walled carbon nanotubes (SWCNTs). In contrast with the macroscopic scenario, the nonstraight nanostructure can increase the water permeation. Remarkably, compared with the straight SWCNT, the nonstraight SWCNT with the minimal bending angle of 30° in the simulations can enhance the water transport up to 3.9 times. Also increasing length and diameter of carbon nanotubes...
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