Abstract
Molecular dynamics (MD) simulations were performed to investigate the separation of nitrate ion as contaminant from aqueous solution by means of armchair silicon carbide (SiC) nanotubes. The (7,7) and (8,8) SiC nanotubes embedded in a silicon nitride (SiN) membrane as a membrane immersed in an aqueous solution of NaNO3. An external electric field was applied to the system along the z axis of the simulation cell. In order to investigate these systems, we calculated the ion current, the radial distribution function of water-nanotube and ion-water, the retention time of ions, water density, the hydrogen bond of water, and the autocorrelation function of the hydrogen bond. The results showed that the considered armchair SiC nanotubes can be used for separating nitrate ion from water. The results revealed that nitrate ions were separated successfully using the (8,8) SiC nanotube, though these ions did not pass through the (7,7) SiC nanotube.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
