Tailoring of carbon nanotubes for the adsorption of heavy metal ions: molecular dynamics and experimental investigations-Reference-Cited by-同舟云学术

Tailoring of carbon nanotubes for the adsorption of heavy metal ions: molecular dynamics and experimental investigations

Published:2018 Issue:6 Volume:3 Page:917-929
ISSN:2058-9689
Container-title:Molecular Systems Design & Engineering
language:en
Short-container-title:Mol. Syst. Des. Eng.

Author:

Sahu P.¹²³⁴⁵,Singha Deb A. K.¹²³⁴⁵,Ali S. K. M.¹²³⁴⁵^ORCID,Shenoy K. T.¹²³⁴⁵,Mohan S.¹²³⁴⁵

Affiliation:

1. Chemical Engineering Division

2. Chemical Engineering Group

3. Bhabha Atomic Research Centre

4. Mumbai

5. India 400085

Abstract

The present study explores the adsorption mechanism of Cd⁺⁺/Hg⁺⁺ with carboxyl (COOH), amine (CONH(CH₂)₂NH₂) and sulfur (CONH(CH₂)₂SH) based CNTs, using molecular dynamics (MD) simulations.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Industrial and Manufacturing Engineering,Process Chemistry and Technology,Energy Engineering and Power Technology,Biomedical Engineering,Chemical Engineering (miscellaneous),Chemistry (miscellaneous)

Link

http://pubs.rsc.org/en/content/articlepdf/2018/ME/C8ME00039E

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