A molecular dynamics simulation of water transport through C and SiC nanotubes: Application for desalination

In this work the conduction of ion-water solution through two discrete bundles of armchair carbon and silicon carbide nanotubes, as useful membranes for water desalination, is studied. In order that studies on different types of nanotubes be comparable, the chiral vectors of C and Si-C nanotubes are selected as (۷,۷) and (۵,۵), respectively, so that    a similar volume of fluid is investigated flowing through two similar dimension membranes. Different hydrostatic pressures are applied and the flow rates of water and ions are calculated through molecular dynamics simulations. Consequently, according to conductance of water per each nanotube, per nanosecond, it is perceived that at lower pressures (below ۱۵۰ MPa) the Si-C nanotubes seem to be more applicable, while  higher hydrostatic pressures make carbon nanotube membranes more suitable for water desalination.

کلیدواژه ها:

Carbon Nanotube ، Silicon carbide nanotube ، molecular dynamics ، Desalination