in this work, a molecular dynamics simulation of the transport of water - methanol mixture through the single wall carbon nanotube (swcnt) is reported. methanol and water are selected as fluid molecules since water represents a strongly polar molecule while methanol is as an intermediate between polar and strongly polar molecules. some physical properties of the methanol-water mixture such as r...

Based on plasma-treated single wall carbon nanotubes (SWCNTs), SWCNT/SiO(2) and thiol groups-functionalized SWCNT/SiO(2) hybrids have been fabricated through a sol-gel process. By means of thiol groups, Ag nanoparticles have been in situ synthesized and bonded onto the SiO(2) shell of SWCNT/SiO(2) in the absence of external reducing agent, resulting in the stable carbon nanotube/SiO(2)/Ag nanop...

the overall aim of this study is to calculate some water properties in the single wall carbon naotubes (swcnt) and compare them to the bulk water properties to investigate the deviation of water properties inside the swcnt from those in the bulk. here some physical and transport properties of water molecules in the single wall carbon nanotube were reported by performing molecular dynamics (md) ...

In this work, a molecular dynamics simulation of the transport of water - methanol mixture through the single wall carbon nanotube (SWCNT) is reported. Methanol and water are selected as fluid molecules since water represents a strongly polar molecule while methanol is as an intermediate between polar and strongly polar molecules. Some physical properties of the methanol-water mixture such as r...

carbon nanotubes have unique properties like high stability, high surface to mass ratio and so on which make them suitable for medicinal purpose applications. treatment of cancer by organoplatinum agents like cisplatin has become unresponsive in most cases due to low distribution of drug in biological fluids, inability of drug to cross cellular membranes and low stability in biological environm...

density-functional theory is used to investigate sulfur dioxide physisorption inside and outside of single-wall carbon nanotube of (5,0) and (5,5). this study is conducted at b3lyp/6-31g* level of theory. sulfur dioxide molecule is studied with axis oriented parallel or perpendicular to the nanotube wall. both internal and external adsorption on nanotubes is increased with the angle of interact...

Bode stability analysis based on transmission line modeling (TLM) for single wall carbon nanotube (SWCNT) interconnects used in 3D-VLSI circuits is investigated for the first time. In this analysis, the dependence of the degree of relative stability for SWCNT interconnects on the geometry of each tube has been acquired. It is shown that, increasing the length and diameter of each tube, SWCNT in...

Over the recent years, numerical modelling and computer based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science. In this paper, we present the computational studies about the mechanical and transport properties of armchair (4, 4) and zigzag (4, 0) single walled carbon nanotubes (SWCNT). Unlike other materials, carbon nanotube...

We have observed experimentally that the thermal conductance of a 2.76-microm-long individual suspended single-wall carbon nanotube (SWCNT) was very close to the calculated ballistic thermal conductance of a 1-nm-diameter SWCNT without showing signatures of phonon-phonon Umklapp scattering for temperatures between 110 and 300 K. Although the observed thermopower of the SWCNT can be attributed t...

Carbon nanotubes have very high potential for applications in nanoelectromechanical devices, nano-optomechanical systems and nanocomposites. However, their full exploitation depends upon knowledge of their mechanical, electrical and thermal properties. Several analytical, experimental, molecular mechanics (MM) and molecular dynamics simulations have been performed to study their deformations un...