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RISS 인기검색어
- 검색키워드
- 저자 : James Cannon (검색결과 4 건)
- 무료
- 기관 내 무료
- 유료
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Vibration and orientation of diatomic molecules flowing through small carbon nanotubes.
Cannon, James,Kim, Daejoong,Hess, Ortwin American Scientific Publishers 2011 Journal of Nanoscience and Nanotechnology Vol.11 No.10
<P>With their unique long cylindrical shape, carbon nanotubes may one-day form nozzles for nano-scale printing or flow into a chamber. Since the scale of the flowing molecules is similar to the diameter of the nanotubes, molecular vibration, orientation and density become influenced by the confinement during flow. We have studied the flow of diatomic molecules through carbon nanotube nozzles using non-equilibrium molecular dynamics simulations, in an effort to gain a greater understanding about the fundamental properties of such molecules in such a setting. The frequency of vibration of the molecules is shown to be dependent on the density inside the nanotubes and follow the same relation as an experimental micro-scale density-frequency study suggests, although only for nanotubes above a certain diameter. Meanwhile no relation is found between the frequency of vibration and the flow rate. The effect of nanotube diameter on the orientation of the molecules is also examined in detail, showing the transition between axial and radial orientation, with 'pull' and 'push' effects determining the orientation.</P>
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The initial flow dynamics of light atoms through carbon nanotubes
Cannon, James,Kim, Daejoong,Hess, Ortwin North-Holland 2011 Fluid dynamics research Vol.43 No.2
<P>Carbon nanotubes are becoming increasingly viable as membranes for application in a wide variety of nano-fluidic applications, such as nano-scale nozzles. For potential applications that utilize switching on and off of flow through nanotube nozzles, it is important to understand the initial flow dynamics. Furthermore, when the nanotube interacts strongly with the fluid, the flow may be very different from conventional simulations, which consider atoms (such as argon, for example) that interact only weakly with the nanotube. Therefore, to better understand such flows and explore the potential manipulation of flow that can be achieved, we consider the initial flow dynamics of a light fluid through carbon nanotube nozzles, using non-equilibrium molecular dynamics simulations. Our studies show that if the conditions are controlled carefully, unusual phenomena can be generated, such as pulsed flow and very nonlinear increases in flow rate with nanotube diameter. We detail the physical reasons for such phenomena and describe how the pulsation can be controlled using temperature.</P>
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Influence of Ion Sizeand Charge on Osmosis
Cannon, James,Kim, Daejoong,Maruyama, Shigeo,Shiomi, Junichiro AmericanChemical Society 2012 The journal of physical chemistry. B, Condensed ma Vol.116 No.14
<P>Osmosis is fundamental to many processes, such as inthe functionof biological cells and in industrial desalination to obtain cleandrinking water. The choice of solute in industrial applications ofosmosis is highly important in maximizing efficiency and minimizingcosts. The macroscale process of osmosis originates from the nanoscaleproperties of the solvent, and therefore an understanding of the mechanismsof how these properties determine osmotic strength can be highly useful.For this reason, we have undertaken molecular dynamics simulationsto systematically study the influence of ion size and charge on thestrength of osmosis of water through carbon nanotube membranes. Ourresults show that strong osmosis occurs under optimum conditions ofion placement near the region of high water density near the membranewall and of maintenance of a strong water hydration shell around theions. The results in turn allow greater insight into the origin ofthe strong osmotic strength of real ions such as NaCl. Finally, interms of practical simulation, we highlight the importance of avoidingsize effects that can occur if the simulation cell is too small.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jpcbfk/2012/jpcbfk.2012.116.issue-14/jp2113363/production/images/medium/jp-2011-113363_0010.gif'></P>
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