Evaluation of Capillary Properties of Carbon Nanotubes Through Molecular Dynamics Simulations. (2015) - Ganji, M. Darvish
Abstract: Due to the ability of carbon nanotubes, they are used to transport and deliver drugs and antibodies without poisonous effects in cells. The internal flow of carbon nanotubes shows a better result of biological function than water channels. Thus, molecular dynamics simulations were carried out for calculation of the speed of water delivery in nanotubes considering the capillary properties of Single-walled, Zigzag, chiral and Armchair carbon nanotubes arrangements, using discharge calculation (Q). It was found that the speed of water delivery in nanotubes is in the order of armchairs, chiral and finally zigzags. In other words, it is to argue that the adhesion between water molecules and the inner wall of Armchair nanotubes is stronger, and its capillary property functions faster than other arrangements.