Document Detail

Separation of a heavy metal from water through a membrane containing boron nitride nanotubes: molecular dynamics simulations.
MedLine Citation:
PMID:  25270267     Owner:  NLM     Status:  In-Data-Review    
Molecular dynamics simulations were performed to investigate the separation of zinc ions as a heavy metal from water using boron nitride nanotubes. The studied systems included boron nitride (BN) nanotubes embedded in a silicon-nitride membrane immersed in an aqueous solution of ZnCl2. An external electric field was applied to the system along the axis of the BN nanotubes. The results show that the (7,7) and (8,8) BN nanotubes were exclusively selective of ions. The (7,7) BN nanotube selectively conducted Zn(2+) ions, while the (8,8) BN nanotube selectively conducted Cl(-) ions. The results were confirmed using additional simulated parameters. The results indicate that the passage of ions through nanotubes is related to the diameter of the BN nanotubes.
Jafar Azamat; Alireza Khataee; Sang Woo Joo
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Publication Detail:
Type:  Journal Article     Date:  2014-10-01
Journal Detail:
Title:  Journal of molecular modeling     Volume:  20     ISSN:  0948-5023     ISO Abbreviation:  J Mol Model     Publication Date:  2014 Oct 
Date Detail:
Created Date:  2014-10-01     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9806569     Medline TA:  J Mol Model     Country:  Germany    
Other Details:
Languages:  eng     Pagination:  2468     Citation Subset:  IM    
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