Molecular dynamics simulation of pressure-driven water flow in silicon-carbide nanotubes.

Abstract

Many properties of silicon carbide (SiC) nanotubes, such as their high mechanical strength and resistance to corrosive environments, are superior to those of their carboneous counterparts, namely, carbon nanotubes (CNTs) and, therefore, SiC nanotubes can be a viable alternative to CNTs in a variety of applications. We employ molecular dynamics simulations to examine flow of water in SiC nanotubes and to study the differences and similarities with the same phenomenon in the CNTs. The simulations indicate that SiC nanotubes always provide larger flow enhancements than those reported for the CNTs. Moreover, a given flow enhancement in SiC nanotubes requires an applied pressure gradient that is at least an order of magnitude smaller than the corresponding value in a CNT of the same size.

DOI: 10.1063/1.3663620

Cite this paper

@article{Khademi2011MolecularDS, title={Molecular dynamics simulation of pressure-driven water flow in silicon-carbide nanotubes.}, author={Mahdi Khademi and Muhammad Sahimi}, journal={The Journal of chemical physics}, year={2011}, volume={135 20}, pages={204509} }